Ansys Polymat User's Guide

ANSYS, Inc. Release 2021 R2

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Table of Contents
Using This Manual ....................................................................................................................................... xv
1. The Contents of This Manual .............................................................................................................. xv
2. The Contents of the Ansys Polyflow Manuals ..................................................................................... xvi
3. How to Use This Manual .................................................................................................................... xvi
3.1. For the Beginner ...................................................................................................................... xvi
3.2. For the Experienced User ......................................................................................................... xvii
4. Typographical Conventions Used in This Manual ............................................................................... xvii
1. Getting Started ..................................................................................................................................... 19
1.1. Introduction ................................................................................................................................... 19
1.2. Program Structure .......................................................................................................................... 20
1.3. Overview of Using Ansys Polymat .................................................................................................... 22
1.3.1. Planning Your Ansys Polymat Analysis ..................................................................................... 22
1.3.2. Steps for Fitting Material Parameters ....................................................................................... 22
1.4. Starting Ansys Polymat ................................................................................................................... 23
1.5. Starting Ansys Polycurve ................................................................................................................. 24
1.6. Sample Session ............................................................................................................................... 24
1.6.1. Problem Description .............................................................................................................. 24
1.6.2. Outline of Procedure .............................................................................................................. 25
1.6.3. Using the Non-Automatic Fitting Method ............................................................................... 25
1.6.3.1. Defining the Experimental Data ..................................................................................... 26
1.6.3.2. Specifying the Curves to be Calculated ........................................................................... 27
1.6.3.3. Defining Numerical Parameters ...................................................................................... 27
1.6.3.4. Defining the Type of Fluid Model ................................................................................... 28
1.6.3.5. Fitting the Material Parameters ...................................................................................... 28
1.6.3.5.1. Finding the Value of K ........................................................................................... 29
1.6.3.5.1.1.Trying K=1 .................................................................................................... 29
1.6.3.5.2. Trying Other Values of K ........................................................................................ 29
1.6.3.5.2.1. Finding the Value of n ................................................................................... 30
1.6.3.6. Saving the Parameters to a Material Data File ................................................................. 31
1.6.3.7. Saving the Experimental Data to a File ........................................................................... 31
1.6.3.8. Exiting from Ansys Polymat ............................................................................................ 32
1.6.4. Using the Automatic Fitting Method ....................................................................................... 32
1.6.4.1. Defining the Type of Fluid Model ................................................................................... 32
1.6.4.2. Fixing the Values of Parameters to Remain Constant ....................................................... 32
1.6.4.3. Reading in the Experimental Data .................................................................................. 33
1.6.4.4. Drawing the Experimental Data Curve ............................................................................ 33
1.6.4.5. Limiting the Range of the Fitting Calculation .................................................................. 33
1.6.4.6. Specifying a Name for the Material Data File ................................................................... 34
1.6.4.7. Performing the Automatic Fitting ................................................................................... 34
2. User Interface ........................................................................................................................................ 37
2.1. Polymat GUI Components ............................................................................................................... 37
2.1.1. The Menu Bar ......................................................................................................................... 38
2.1.2. The Menu Buttons .................................................................................................................. 40
2.1.3. The Menu ............................................................................................................................... 41
2.1.4. The Chart Buttons .................................................................................................................. 41
2.1.5. The Chart Window .................................................................................................................. 42
2.1.6. The Curve Buttons .................................................................................................................. 43
2.1.7. The Curve List ........................................................................................................................ 43
2.1.8. The Curve Settings ................................................................................................................. 44

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2.1.9. The Output Text Window ........................................................................................................ 45

2.2. Polycurve GUI Components ............................................................................................................ 45
3. Reading and Writing Files ..................................................................................................................... 47
3.1. Files Written or Read by Ansys Polymat and Ansys Polycurve ............................................................ 47
3.2. Reading Experimental Data ............................................................................................................. 47
3.2.1. Reading Experimental Data Curves for the Non-Automatic Fitting Method .............................. 48
3.2.2. Reading Experimental Data Curves for the Automatic Fitting Method ...................................... 49
3.3. Saving Experimental Data ............................................................................................................... 51
3.4. Reading and Writing Material Data .................................................................................................. 51
3.5. Reading CAMPUS Material Property Files ......................................................................................... 51
4. Unit Systems .......................................................................................................................................... 53
4.1. Overview of Units ........................................................................................................................... 53
4.2. Converting to a New Unit System .................................................................................................... 53
4.3. Restrictions on Units ....................................................................................................................... 55
5. Fitting Material Parameters .................................................................................................................. 57
5.1. Introduction ................................................................................................................................... 57
5.2. Non-Automatic Fitting .................................................................................................................... 57
5.2.1. Steps for Non-Automatic Fitting ............................................................................................. 58
5.2.2. Specifying the Curves to be Calculated ................................................................................... 58
5.2.3. Defining Numerical Parameters .............................................................................................. 58
5.2.4. Selecting the Type of Fluid Model ........................................................................................... 60
5.2.5. Defining Initial Values for the Material Parameters ................................................................... 61
5.2.6. Performing the Fitting Analysis ............................................................................................... 61
5.3. Automatic Fitting ............................................................................................................................ 62
5.3.1. Steps for Automatic Fitting ..................................................................................................... 63
5.3.2. Selecting the Type of Fluid Model ........................................................................................... 63
5.3.3. Fixing Values for Selected Material Parameters ........................................................................ 63
5.3.4. Defining Numerical Parameters .............................................................................................. 64
5.3.5. Drawing the Experimental Curves ........................................................................................... 67
5.3.6. Specifying a Name for the Material Data File ........................................................................... 67
5.3.7. Performing the Automatic Fitting Analysis .............................................................................. 67
5.3.7.1. Evaluating the Automatic Fitting .................................................................................... 68
5.3.7.1.1. Evaluating the Distance Between Two Successive Solutions ................................... 68
5.3.7.1.2. Evaluating the Distance Between Solution and Experimental Points ....................... 68
6. Material Data Parameters ..................................................................................................................... 71
6.1. Overview of Fluid Properties and Flow Characteristics ..................................................................... 71
6.2. Generalized Newtonian Flow ........................................................................................................... 73
6.2.1. Introduction ........................................................................................................................... 74
6.2.1.1. Equations ...................................................................................................................... 74
6.2.1.2. Inputs ........................................................................................................................... 74
6.2.2. Shear-Rate Dependence of Viscosity ....................................................................................... 74
6.2.2.1. Constant ....................................................................................................................... 74
6.2.2.2. Bird-Carreau Law ........................................................................................................... 75
6.2.2.3. Power Law ..................................................................................................................... 76
6.2.2.4. Bingham Law ................................................................................................................ 77
6.2.2.5. Modified Bingham Law .................................................................................................. 78
6.2.2.6. Herschel-Bulkley Law ..................................................................................................... 79
6.2.2.7. Modified Herschel-Bulkley Law ...................................................................................... 80
6.2.2.8. Cross Law ...................................................................................................................... 81
6.2.2.9. Modified Cross Law ....................................................................................................... 82
6.2.2.10. Log-Log Law ................................................................................................................ 83

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6.2.2.11. Carreau-Yasuda Law .................................................................................................... 84

6.2.3. Temperature Dependence of Viscosity .................................................................................... 86
6.2.3.1. Arrhenius Law ............................................................................................................... 86
6.2.3.2. Approximate Arrhenius Law ........................................................................................... 87
6.2.3.3. Arrhenius Shear-Stress Law ............................................................................................ 88
6.2.3.4. Approximate Arrhenius Shear-Stress Law ....................................................................... 89
6.2.3.5. Fulcher Law ................................................................................................................... 90
6.2.3.6. WLF Law ........................................................................................................................ 94
6.2.3.7. WLF Shear-Stress Law .................................................................................................... 96
6.2.3.8. Mixed-Dependence Law ................................................................................................ 97
6.3. Differential Viscoelastic Flow ........................................................................................................... 99
6.3.1. Introduction ........................................................................................................................... 99
6.3.1.1. Equations .................................................................................................................... 100
6.3.1.2. Inputs .......................................................................................................................... 100
6.3.2. Differential Viscoelastic Models ............................................................................................. 101
6.3.2.1. Upper-Convected Maxwell Model ................................................................................ 102
6.3.2.1.1. Equations ........................................................................................................... 102
6.3.2.1.2. Inputs ................................................................................................................. 103
6.3.2.1.3. Behavior Analysis ................................................................................................ 103
6.3.2.2. Oldroyd-B Model ......................................................................................................... 106
6.3.2.2.1. Equations ........................................................................................................... 106
6.3.2.2.2. Inputs ................................................................................................................. 106
6.3.2.2.3. Behavior Analysis ................................................................................................ 107
6.3.2.3. White-Metzner Model .................................................................................................. 108
6.3.2.3.1. Equations ........................................................................................................... 108
6.3.2.3.2. Guidelines for Fitting ........................................................................................... 109
6.3.2.3.3. Inputs ................................................................................................................. 109
6.3.2.3.4. Behavior Analysis ................................................................................................ 110
6.3.2.4. Phan-Thien-Tanner Model ............................................................................................ 113
6.3.2.4.1. Equations ........................................................................................................... 113
6.3.2.4.2. Inputs ................................................................................................................. 113
6.3.2.4.3. Behavior Analysis ................................................................................................ 114
6.3.2.5. Giesekus Model ........................................................................................................... 119
6.3.2.5.1. Equations ........................................................................................................... 119
6.3.2.5.2. Inputs ................................................................................................................. 120
6.3.2.5.3. Behavior Analysis ................................................................................................ 120
6.3.2.6. FENE-P Model .............................................................................................................. 123
6.3.2.6.1. Equations ........................................................................................................... 123
6.3.2.6.2. Inputs ................................................................................................................. 124
6.3.2.6.3. Behavior Analysis ................................................................................................ 125
6.3.2.7. POM-POM Model [DCPP] ............................................................................................. 130
6.3.2.7.1. Inputs ................................................................................................................. 131
6.3.2.7.2. Behavior Analysis ................................................................................................ 132
6.3.2.8. Leonov Model ............................................................................................................. 135
6.3.2.8.1. Inputs ................................................................................................................. 137
6.3.2.8.2. Identification of Model Parameters and Functions ................................................ 138
6.3.2.8.3. Behavior Analysis ................................................................................................ 138
6.3.3. Temperature Dependence of Viscosity .................................................................................. 142
6.3.4. Multiple Relaxation Times for Differential Viscoelastic Flows .................................................. 142
6.4. Integral Viscoelastic Flow .............................................................................................................. 145
6.4.1. Introduction ......................................................................................................................... 145

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6.4.1.1. Equations .................................................................................................................... 146

6.4.1.2. Inputs .......................................................................................................................... 146
6.4.2. Integral Viscoelastic Models .................................................................................................. 148
6.4.2.1. Doi-Edwards Model ..................................................................................................... 149
6.4.2.2. KBKZ Model ................................................................................................................. 149
6.4.2.3. Influence of Damping Functions and Their Parameters ................................................. 150
6.4.2.3.1. Oscillatory Shear Flow ......................................................................................... 150
6.4.2.3.2. Simple Shear Flow ............................................................................................... 151
6.4.2.3.3. Extensional Flow ................................................................................................. 152
6.4.2.3.4. Transient Shear Flow ........................................................................................... 156
6.4.3. Temperature Dependence of Viscosity .................................................................................. 159
6.5. Simplified Viscoelastic Model ........................................................................................................ 159
6.5.1. Equations ............................................................................................................................. 160
6.5.2. Identification of Model Parameters and Functions ................................................................. 161
6.5.3. Inputs .................................................................................................................................. 162
6.5.4. Behavior Analysis ................................................................................................................. 162
7. Rheological Properties ........................................................................................................................ 165
7.1. Steady Simple Shear Flow ............................................................................................................. 165
7.2. Steady Extensional Flow ................................................................................................................ 167
7.3. Oscillatory Shear Flow ................................................................................................................... 169
7.4. Transient Shear Flow ..................................................................................................................... 170
7.5. Transient Extensional Flow ............................................................................................................ 171
8. Defining and Plotting Curves .............................................................................................................. 173
8.1. Overview ...................................................................................................................................... 173
8.1.1. Definitions of Terms .............................................................................................................. 173
8.2. Working with Curves ..................................................................................................................... 174
8.2.1. Defining Experimental Data Curves ....................................................................................... 174
8.2.2. Reading Curve Files .............................................................................................................. 175
8.2.3. Deleting a Curve .................................................................................................................. 175
8.2.4. Modifying a Curve Definition ................................................................................................ 175
8.2.5. Saving a Curve ..................................................................................................................... 175
8.2.6. Moving or Copying a Curve .................................................................................................. 175
8.2.7. Modifying Curve Display Attributes ...................................................................................... 176
8.3. Adding, Removing, and Modifying Charts ...................................................................................... 176
8.3.1. Adding and Removing a Chart .............................................................................................. 176
8.3.2. Modifying the Title and Legend ............................................................................................ 178
8.3.3. Modifying the Range and Scaling ......................................................................................... 179
8.3.4. Modifying the Axis Attributes ............................................................................................... 180
9. Guidelines for Viscoelastic Models ..................................................................................................... 183
9.1. Introduction ................................................................................................................................. 183
9.2. The Weissenberg Number ............................................................................................................. 184
9.3. Viscometric and Rheometric Measurements .................................................................................. 184
9.3.1. Oscillatory Properties ........................................................................................................... 184
9.3.2. Steady-State Shear Viscosity ................................................................................................. 185
9.3.3. First Normal-Stress Difference ............................................................................................... 185
9.3.4. Transient Uniaxial Elongational Viscosity ............................................................................... 185
9.4. General Strategy for Fitting ........................................................................................................... 185
9.4.1. Weighting Measured Data .................................................................................................... 186
9.4.2. Assigning a Value to a Parameter .......................................................................................... 186
9.4.3. Using Identical or Independent Nonlinear Parameters ........................................................... 187
9.4.4. Relaxation Time vs. Relaxation Spectrum in Extrusion, Fiber Spinning, and Film Casting .......... 188

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9.4.5. Relaxation Time vs. Relaxation Spectrum in Blow Molding and Thermoforming ...................... 188
9.4.6. Relaxation Time vs. Relaxation Spectrum in Pressing .............................................................. 188
9.5. Guidelines for Extrusion ................................................................................................................ 189
9.5.1. Important Effects ................................................................................................................. 189
9.5.1.1. 2D Extrusion ................................................................................................................ 189
9.5.1.2. 3D Extrusion ................................................................................................................ 189
9.5.2. Recommended Experimental Data ....................................................................................... 189
9.5.3. Recommended Models and Parameters ................................................................................ 190
9.6. Guidelines for Fiber Spinning ........................................................................................................ 191
9.6.1. Important Effects ................................................................................................................. 191
9.6.1.1. 2D Fiber Spinning ........................................................................................................ 191
9.6.1.2. 3D Fiber Spinning ........................................................................................................ 191
9.6.2. Recommended Experimental Data ....................................................................................... 192
9.6.3. Recommended Models and Parameters ................................................................................ 192
9.7. Guidelines for Film Casting ............................................................................................................ 193
9.7.1. Important Effects ................................................................................................................. 193
9.7.2. Recommended Experimental Data ....................................................................................... 193
9.7.3. Recommended Models and Parameters ................................................................................ 193
9.8. Guidelines for Blow Molding and Thermoforming .......................................................................... 194
9.8.1. Important Effects ................................................................................................................. 194
9.8.2. Recommended Experimental Data ....................................................................................... 194
9.8.3. Recommended Models and Parameters ................................................................................ 195
9.8.3.1. 2D and 3D Blow Molding and Thermoforming .............................................................. 195
9.8.3.2. Blow Molding and Thermoforming with Shell Models ................................................... 196
9.9. Guidelines for Pressing .................................................................................................................. 196
9.9.1. Important Effects ................................................................................................................. 196
9.9.2. Recommended Experimental Data ....................................................................................... 197
9.9.3. Recommended Models and Parameters ................................................................................ 197
9.10. Empirical Rules and Principles ..................................................................................................... 198
9.10.1. Cox-Merz Rule .................................................................................................................... 198
9.10.2. Gleissle Mirror Relationships ............................................................................................... 198
9.10.3. First Normal Stress Difference Relationships ........................................................................ 199
9.10.4. Time-Temperature Equivalence ........................................................................................... 199
10. Examples ........................................................................................................................................... 203
10.1. Example 1: Non-Isothermal Generalized Newtonian Model ........................................................... 203
10.1.1. Experimental Data .............................................................................................................. 203
10.1.2. Fitting Procedure in Ansys Polymat ..................................................................................... 204
10.1.2.1. Step 1: Define the Fluid Model Type ............................................................................ 204
10.1.2.2. Step 2: Specify the Material Data Models and Fix Parameters ....................................... 204
10.1.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 206
10.1.2.4. Step 4: Run the Fitting Calculation .............................................................................. 207
10.1.2.5. Results ....................................................................................................................... 207
10.2. Example 2: Non-Isothermal Differential Viscoelastic Model ........................................................... 208
10.2.1. Experimental Data .............................................................................................................. 208
10.2.2. Fitting Procedure in Ansys Polymat ..................................................................................... 211
10.2.2.1. Step 1: Define the Fluid Model Type ............................................................................ 211
10.2.2.2. Step 2: Specify the Material Data Models and Fix Parameters ....................................... 211
10.2.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 213
10.2.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation .................................... 215
10.2.2.5. Results ....................................................................................................................... 216
10.3. Example 3: Non-Isothermal Integral Viscoelastic Model ................................................................ 217

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10.3.1. Experimental Data .............................................................................................................. 217

10.3.2. Fitting Procedure in Ansys Polymat ..................................................................................... 219
10.3.2.1. Step 1: Define the Fluid Model Type ............................................................................ 219
10.3.2.2. Step 2: Specify the Material Data Models and Fix Parameters ....................................... 220
10.3.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 221
10.3.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation .................................... 223
10.3.2.5. Results ....................................................................................................................... 223
10.4. Example 4: Isothermal Differential Viscoelastic Model ................................................................... 224
10.4.1. Experimental Data .............................................................................................................. 225
10.4.2. Fitting Procedure in Ansys Polymat ..................................................................................... 228
10.4.2.1. Step 1: Define the Fluid Model Type ............................................................................ 228
10.4.2.2. Step 2: Specify the Material Data Models .................................................................... 229
10.4.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 229
10.4.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation .................................... 233
10.4.2.5. Results ....................................................................................................................... 233
Bibliography ............................................................................................................................................. 237

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List of Figures
1.1. Fitting to Experimental Data .................................................................................................................. 20
1.2. Basic Program Structure ........................................................................................................................ 21
1.3. Log-Log Plot of Shear Viscosity vs. Shear Rate ........................................................................................ 25
1.4. The Create a New Curve Dialog Box ....................................................................................................... 26
1.5. The Curve List ....................................................................................................................................... 27
1.6. Computed Viscosity Curve for K=1 ........................................................................................................ 29
1.7. Computed Viscosity Curves for Various Values of K ................................................................................. 30
1.8. Computed Viscosity Curves for Various Values of n ................................................................................. 31
1.9. Automatically Computed Viscosity Curve .............................................................................................. 35
2.1. The Ansys Polymat GUI Components ..................................................................................................... 38
2.2.The Menu Bar ........................................................................................................................................ 38
2.3. The Online Help Window ....................................................................................................................... 39
2.4. The Polyflow Reference Manual : Index .................................................................................................. 40
2.5.The Menu Buttons ................................................................................................................................. 40
2.6. The Menu ............................................................................................................................................. 41
2.7. The Chart Buttons ................................................................................................................................. 41
2.8. The Chart Window ................................................................................................................................ 42
2.9. The Curve Buttons ................................................................................................................................ 43
2.10. The Curve List ..................................................................................................................................... 44
2.11. The Curve Settings .............................................................................................................................. 44
2.12. The Output Text Window ..................................................................................................................... 45
2.13. The Ansys Polycurve GUI ..................................................................................................................... 46
3.1. The Import curve file Dialog Box ............................................................................................................ 49
6.1. Contraction and Expansion Flow ........................................................................................................... 72
6.2. Storage and Loss Moduli Curves ............................................................................................................ 73
6.3. Constant (Shear-Rate-Independent) Viscosity ........................................................................................ 75
6.4. Bird-Carreau Law for Viscosity ............................................................................................................... 76
6.5. Power Law for Viscosity ......................................................................................................................... 77
6.6. Bingham Law for Viscosity ..................................................................................................................... 78
6.7. Modified Bingham Law for Viscosity ...................................................................................................... 79
6.8. Herschel-Bulkley Law for Viscosity ......................................................................................................... 80
6.9. Modified Herschel-Bulkley Law for Viscosity ........................................................................................... 81
6.10. Cross Law for Viscosity ........................................................................................................................ 82
6.11. Modified Cross Law for Viscosity .......................................................................................................... 83
6.12. Log-Log Law for Viscosity .................................................................................................................... 84
6.13. Carreau-Yasuda Law for Viscosity ......................................................................................................... 85
6.14. Arrhenius Law for Viscosity .................................................................................................................. 87
6.15. Approximate Arrhenius Law for Viscosity ............................................................................................. 88
6.16. Arrhenius Shear-Stress Law for Viscosity .............................................................................................. 89
6.17. Approximate Arrhenius Shear-Stress Law for Viscosity .......................................................................... 90
6.18. Effect of Increasing f1 on the Fulcher Law for Viscosity ......................................................................... 91
6.19. Effect of Increasing f2 on the Fulcher Law for Viscosity ......................................................................... 92
6.20. Effect of Increasing f3 (Less Than Fixed Temperature) on the Fulcher Law for Viscosity ........................... 93
6.21. Effect of Increasing f3 (Greater Than Fixed Temperature) on the Fulcher Law for Viscosity ...................... 94
6.22. Effect of Increasing c2 on the WLF Law for Viscosity ............................................................................. 95
6.23. Effect of Increasing c1 or Ta on the WLF Law for Viscosity ..................................................................... 95
6.24. WLF Law for Viscosity .......................................................................................................................... 96
6.25. WLF Shear-Stress Law for Viscosity ....................................................................................................... 97
6.26. Effect of Increasing a2 or a22 on the Mixed-Dependence Law for Viscosity ........................................... 98

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6.27. Effect of Increasing a12 on the Mixed-Dependence Law for Viscosity .................................................... 99
6.28. Upper-Convected Maxwell Model for a Shear Flow ............................................................................ 104
6.29. Upper-Convected Maxwell Model for an Extensional Flow .................................................................. 105
6.30. Upper-Convected Maxwell Model for a Transient Shear Flow .............................................................. 106
6.31. Oldroyd-B Model for a Shear Flow ...................................................................................................... 107
6.32. Oldroyd-B Model for a Transient Shear Flow ....................................................................................... 108
6.33. White-Metzner Model for a Shear Flow .............................................................................................. 111
6.34. White-Metzner Model for a Transient Shear Flow with Constant Relaxation Time ................................. 112
6.35. White-Metzner Model for a Transient Shear Flow with a Bird-Carreau Relaxation Time ......................... 113
6.36. PTT Model for a Shear Flow ............................................................................................................... 115
6.37. PTT Model for a Steady Extensional Flow ........................................................................................... 116
6.38. Effect of ξ on the PTT Model for a Shear Flow ..................................................................................... 117
6.39. Effect of ξ on the PTT Model for a Steady Extensional Flow ................................................................. 118
6.40. PTT Model in a Transient Shear Flow .................................................................................................. 119
6.41. Giesekus Model for a Shear Flow ........................................................................................................ 121
6.42. Effect of α on the Giesekus Model for an Extensional Flow ................................................................. 122
6.43. Giesekus Model for a Transient Shear Flow ......................................................................................... 123
6.44. Dumbbell Definitions for the FENE-P Model ....................................................................................... 124
6.45. Effect of Small Values of L^2 on the FENE-P Model for Shear Flow ....................................................... 126
6.46. Effect of Large Values of L^2 on the FENE-P Model for Shear Flow ....................................................... 127
6.47. Effect of L^2 on the FENE-P Model for Extensional Flow ..................................................................... 128
6.48. Effect of Large Values of L^2 on the FENE-P Model for Transient Shear Flow ........................................ 129
6.49. Effect of Mid-Range Values of L^2 on the FENE-P Model for Transient Shear Flow ................................ 130
6.50. Effect of Parameter ξ for Steady Shear Flow ........................................................................................ 133
6.51. Effect of Parameter q on Steady Elongation Viscosity ......................................................................... 134
6.52. Effect of Parameter q on Transient Elongation Viscosity for Different Values of the Elongation Rate ..... 135
6.53. Shear Viscosity of the Leonov Model with Parameters G=1000, λ=1, q=1, β=0, ν=2, γ*=2, and a=1,
k=n=m=0 (continuous lines). .................................................................................................................... 139
6.54. First Normal Stress Difference of the Leonov Model with Parameters G=1000, λ=1, q=1, β=0, ν=2, γ*=2,
and a=1, k=n=m=0 (continuous lines). ....................................................................................................... 140
6.55. Elongation Viscosity of the Leonov Model with Parameters G=1000, λ=1, q=1, n=1, ν=2, γ*=2, and a=1,
β=k=m=0 (continuous lines). ..................................................................................................................... 141
6.56. Transient Shear Viscosity of the Leonov Model Versus Time, at Shear Rates Ranging from 10^-2 to 10,
With Parameters G=1000, λ=1, q=1, n=1, β=0, ν=2, γ*=2, and a=1, k=m=n=0, (continuous lines). ................. 142
6.57. Simple Shear Flow with Multiple Relaxation Times ............................................................................. 143
6.58. Extensional Flow with Multiple Relaxation Times ............................................................................... 144
6.59. Transient Shear Flow with Multiple Relaxation Times .......................................................................... 145
6.60. Storage and Loss Moduli for Oscillatory Shear Flow ............................................................................ 151
6.61. Comparison of Damping Functions for Oscillatory Shear Flow ............................................................ 151
6.62. Comparison of Damping Functions for Simple Shear Flow .................................................................. 152
6.63. Comparison of Damping Functions for Extensional Flow (β=0) ........................................................... 153
6.64. Effect of α (or n) on the PSM Damping Function for Extensional Flow (β=0) ........................................ 154
6.65. Effect of β on the PSM Damping Function for Steady Extensional Flow (α=14.38) ................................ 155
6.66. Effect of θ on the PSM Damping Function for Steady Extensional Flow (α=14.38, β=0.1) ...................... 156
6.67. Comparison of Damping Functions for Transient Shear Flow (β=0) ...................................................... 157
6.68. Effect of α (or n) on the PSM Damping Function for Transient Shear Flow (β=0) ................................... 158
6.69. Transient Shear Rate Function ........................................................................................................... 158
6.70. Comparison of Reversible and Irreversible PSM Damping Functions for Transient Shear Flow
(α=14.38) ................................................................................................................................................. 159
6.71. Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid model through a
cylindrical tube with a unit radius. ............................................................................................................. 163

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 Polymat User's Guide

6.72. Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid model through a
cylindrical tube with a unit radius. ............................................................................................................. 164
7.1. Steady Simple Shear Flow ................................................................................................................... 165
7.2. Uniaxial Extensional Flow .................................................................................................................... 168
7.3. Biaxial Extensional Flow ...................................................................................................................... 168
7.4. Planar Extensional Flow ....................................................................................................................... 169
7.5. Transient Shear Flows .......................................................................................................................... 171
8.1. The Create a New Curve Dialog Box ..................................................................................................... 174
8.2.The Move or Copy Curve(s) Dialog Box ................................................................................................. 176
8.3. The Chart Buttons and Default Chart Window ...................................................................................... 177
8.4. Closing a Graphic ................................................................................................................................ 178
8.5. The General Tab of the Properties Dialog Box ....................................................................................... 179
8.6. The X Axis Tab of the Properties Dialog Box .......................................................................................... 180
9.1. G' and G" vs. Angular Frequency [rad/s] ................................................................................................ 200
9.2. G"/G' vs. Angular Frequency [rad/s] ...................................................................................................... 200
9.3. Combining G"/G' Curves ...................................................................................................................... 201
9.4. Master Curves for G' and G" vs. Angular Frequency [rad/s] .................................................................... 202
10.1. Plot of Computed and Experimental Curves ....................................................................................... 208
10.2. Plot of Computed and Experimental Curves ....................................................................................... 217
10.3. Plot of Computed and Experimental Curves ....................................................................................... 224
10.4. Computed and Experimental Curves for Steady Shear Viscosity, Storage Modulus and Loss Modulus .... 234
10.5. Computed and Experimental Curves for Stress vs. ln(1/lo) at Different Initial Strain Rates (0.1,1, and
10). ........................................................................................................................................................... 235

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List of Tables
3.1. Files Written and Read by Ansys Polymat and Ansys Polycurve ............................................................... 47

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Using This Manual
This preface describes the following:
1.The Contents of This Manual
2.The Contents of the Ansys Polyflow Manuals
3. How to Use This Manual
4.Typographical Conventions Used in This Manual

1. The Contents of This Manual

The Ansys Polymat User’s Guide tells you what you need to know in order to use Ansys Polymat. The
first chapter gives you an overview of Ansys Polymat’s capabilities and how Ansys Polymat relates to
other Ansys Polyflow modules, information about starting Ansys Polymat, and a sample session, and
the second chapter contains information about the user interface. The third and fourth chapters contain,
respectively, information about file import/export and unit systems. The fifth chapter provides information
about fitting material parameters to experimental data, and the sixth chapter describes the material
data that needs to be defined for each type of model. The seventh chapter discusses the rheological
properties that can be computed and plotted for different types of kinematics. The eighth chapter de-
scribes how to use Ansys Polymat to define and plot curves. The ninth chapter presents some guidelines
for fitting, while the tenth (and last) chapter presents several examples of automatic fitting. An index
allows you to look up material relating to a particular subject. The idea is to help you find answers to
your questions quickly and directly, whether you are a first-time user or an experienced user.

The following provides a brief description of the content of each chapter:

• Getting Started (p. 19) describes Ansys Polymat’s capabilities and the way in which it interacts with
other Ansys Polyflow modules and third-party material-data packages. It also gives an overview of
the setup steps, and presents a sample session.

• User Interface (p. 37) describes the graphical user interface.

• Reading and Writing Files (p. 47) contains information about the files that Ansys Polymat and Ansys
Polycurve can read and write.

• Unit Systems (p. 53) describes the unit systems available in Ansys Polymat.

• Fitting Material Parameters (p. 57) provides instructions for fitting material parameters to experimental
data.

• Material Data Parameters (p. 71) describes the material parameters that need to be defined for each
type of model.

• Rheological Properties (p. 165) discusses the rheological properties that can be computed for different
types of kinematics.

• Defining and Plotting Curves (p. 173) describes how to define experimental data and plot experimental
and computed data curves.

• Guidelines for Viscoelastic Models (p. 183) presents guidelines for selecting an appropriate viscoelastic
model and fitting the related parameters for several common applications.

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Using This Manual

• Examples (p. 203) presents examples of non-isothermal generalized Newtonian, differential viscoelastic,
and integral viscoelastic fluids.

2. The Contents of the Ansys Polyflow Manuals

The manuals listed below form the Ansys Polyflow product documentation set. They include descriptions
of the procedures, commands, and theoretical details needed to use Ansys Polyflow products.

• The Polyflow User's Guide explains how to use Ansys Polydata and Ansys Polyflow to set up and
solve a problem.

• The Polyflow Tutorial Guide contains a number of example problems with complete detailed
instructions, commentary, and postprocessing of results.

• The Polyflow in Workbench User's Guide explains how to use the Ansys Polyflow application
within Ansys Workbench.

• The Polymat User's Guide (p. 1) explains how to use the Ansys Polymat module for material
property evaluation.

• The Polystat User's Guide explains how to set up a MIXING task in Ansys Polydata and how to
use the Ansys Polystat module for statistical postprocessing of results.

Related video help can be found on the Ansys How To Videos page.

• The GAMBIT manuals teach you how to use the GAMBIT preprocessor for geometry creation and
mesh generation.

• The CFD-Post User's Guide explains how to use CFD-Post to examine your results.

For details on how to access the Ansys Polyflow manuals, see Ansys Polyflow Documentation in the
separate Polyflow User's Guide.

3. How to Use This Manual

Depending on your familiarity with computational fluid dynamics and Ansys, Inc. software, you can use
this manual in a variety of ways.

3.1. For the Beginner

The suggested readings for the beginner are as follows:

• For an overview of Ansys Polymat’s capabilities and how it interacts with other modules and third-
party packages, read Getting Started (p. 19).

• For information about how to start Ansys Polymat, see Getting Started (p. 19). In this chapter you
will also find a sample session that illustrates how to use the automatic and non-automatic fitting
methods in Ansys Polymat.

• To learn about the user interface, read User Interface (p. 37).

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 Typographical Conventions Used in This Manual

• For information about reading and writing files, see Reading and Writing Files (p. 47).

• To learn how to convert to a different unit system, see Unit Systems (p. 53).

• For information about using the different fitting methods available in Ansys Polymat, see Fitting
Material Parameters (p. 57).

• To find out what material parameters need to be defined for each type of fluid model, see Material
Data Parameters (p. 71). For guidelines on selecting models and setting parameters, see Guidelines
for Viscoelastic Models (p. 183).

• To find out which rheological properties can be computed for your flow, see Rheological Proper-
ties (p. 165).

• To learn how to define curves for experimental data and plot experimental and computed data
curves, see Defining and Plotting Curves (p. 173). This chapter also includes fitting guidelines for
several common applications.

• For several examples of how to use Ansys Polymat for different types of flows, see Examples (p. 203).
This chapter also includes fitting guidelines for several common applications.

• Depending on the characteristics of your particular problem, and the tools you want to employ,
use the table of contents and the index to find the relevant material for review.

3.2. For the Experienced User

If you are an experienced user who needs to look up specific information, there are two different
tools that allow you to use the Ansys Polymat User’s Guide as a reference manual. The table of contents,
as far as possible, lists topics that are discussed in a procedural order, enabling you to find material
relating to a particular procedural step. There is also an index that allows you to access information
about a particular subject.

4. Typographical Conventions Used in This Manual

Several typographical conventions are used in this manual’s text to facilitate your learning process.

• Different type styles are used to indicate graphical user interface menu items, button and other GUI
control labels, and text inputs that you enter (for example, in the Create a New Curve dialog box,
enter sample-curve for Name).

• A menu selection is indicated like this:

Material Data

indicates that the Material Data menu item should be selected from the Polymat menu.

• A mini flow chart is used to indicate selections from the menu bar. For example,

File → Exit

indicates that the Exit item should be selected from the File pull-down menu in the Ansys Poly-
mat menu bar.

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Using This Manual

The word before an arrow invoke the pull-down menu (or submenu) and the final word indicates the
item you should select from that pull-down menu.

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Chapter 1: Getting Started
This chapter provides an introduction to Ansys Polymat, an overview of how to use it, and instructions
for starting it. In addition, a sample session is presented.
1.1. Introduction
1.2. Program Structure
1.3. Overview of Using Ansys Polymat
1.4. Starting Ansys Polymat
1.5. Starting Ansys Polycurve
1.6. Sample Session

1.1. Introduction
Ansys Polymat is an interactive graphical program that allows you to visualize material data, including
steady shear viscosity and steady elongational viscosity. Ansys Polymat computes material properties
from constitutive equations and numerical parameters, for isothermal and non-isothermal generalized
Newtonian, differential viscoelastic, and integral viscoelastic fluids. It can also compare them with ex-
perimental curves (that is, fitting). The inputs for the model selection and parameters are similar to
those in Ansys Polydata.

Figure 1.1: Fitting to Experimental Data (p. 20) shows an example of fitting. The shear viscosity and
shear stress for a KBKZ fluid with 6 relaxation modes and a Wagner damping function are plotted

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Getting Started

Figure 1.1: Fitting to Experimental Data

1.2. Program Structure

Ansys Polymat is part of the Ansys Polyflow package, which includes the following products and modules.
Figure 1.2: Basic Program Structure (p. 21) shows the organizational structure of these components.

• Ansys Polyflow, the solver

• Ansys Polydata, the preprocessor for problem definition

• GAMBIT, the preprocessor for geometry modeling and mesh generation

• Ansys Polymat, the preprocessor for material data specification

• Ansys Polystat, the statistical postprocessor for quantitative comparison of flows

• Ansys Fluent/CFD-Post, the graphical postprocessor for examining results

• filters (translators) for import of meshes from CAD/CAE packages such as PATRAN and I-deas, and
export of meshes and results to these and other programs

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 Program Structure

Figure 1.2: Basic Program Structure

Ansys Polyman is an environment that allows you to manage your Ansys Polyflow projects and start
the modules and products listed above from a single entry point. See Starting Ansys Polymat (p. 23)
for details.

You can create your geometry and mesh using GAMBIT. See the GAMBIT documentation for details.
Ansys DesignModeler and Ansys Meshing can also be used to create geometries and meshes for Ansys
Polyflow. It is also possible to create meshes for Ansys Polyflow using POLYCEM/POWERMESH, and
POLYMESH (preprocessors that were used before the introduction of GAMBIT), as well as PATRAN and
I-deas third-party CAD/CAE packages and other software packages that support these file formats.

Once your mesh is created, you can read it into Ansys Polydata and set up the simulation. In Ansys
Polydata, you will define the physical models, material properties, boundary and process conditions,
numerical parameters, and so on. When you have completed the problem definition, you will save it
to a data file, which can be used to run Ansys Polyflow.

In conjunction with the problem specification in Ansys Polydata, you can use the Ansys Polymat prepro-
cessor for some preliminary material property analysis. Ansys Polymat enables you to compute material
properties based on experimental or other data. The result of the Ansys Polymat calculation is material
property data that is passed to Ansys Polydata through a material data file. The use of Ansys Polymat

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Getting Started

is optional; it is generally used when you need to determine complex material property data for your
model.

Ansys Polyflow is the central solver. It computes a solution based on the problem definition specified
in the data file that you created in Ansys Polydata, and saves the solution to a results file. You can also
start an Ansys Polyflow calculation from a previous results file. Such a restarting procedure is useful,
for example, in nonlinear problems where you want to save CPU time.

When you have completed your calculation in Ansys Polyflow, you can use the graphical postprocessor
Ansys Fluent/CFD-Post to examine your results. Other postprocessing packages that can be used to
examine Ansys Polyflow results are PATRAN and I-deas.

In addition to the graphical postprocessors, a statistical postprocessor called Ansys Polystat is also
available. Ansys Polystat allows you to interactively analyze properties calculated along particle traject-
ories and perform statistical calculations that can be used to predict mixing efficiency and other macro-
scopic flow properties. Ansys Polystat operates on a set of trajectories created by Ansys Polyflow for a
mixing task.

1.3. Overview of Using Ansys Polymat

This section describes the following topics:
1.3.1. Planning Your Ansys Polymat Analysis
1.3.2. Steps for Fitting Material Parameters

1.3.1. Planning Your Ansys Polymat Analysis

When you are planning to use Ansys Polymat to determine the appropriate material parameters for
your model, you should first give consideration to the following issues:

• Definition of the modeling goals: What specific results are required from the model and how will
they be used? What degree of accuracy is required from the model?

• Choice of models: Is the flow isothermal or non-isothermal? If it is non-isothermal, can you simplify
the problem to examine the isothermal material behavior first?

Careful consideration of these issues before beginning your Ansys Polymat analysis will contribute
significantly to the success of your modeling effort. When you are planning a CFD project, take ad-
vantage of the customer support provided to all Ansys Polymat users.

1.3.2. Steps for Fitting Material Parameters

To use Ansys Polymat to fit material parameters to your data, you will follow the basic procedural
steps below:

1. Start Ansys Polymat.

2. Decide if you want to use an automatic or non-automatic procedure.

3. Follow the appropriate procedure, as described below.

• For the non-automatic procedure:

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 Starting Ansys Polymat

a. Read or define the experimental data curve.

b. Specify which curves you want to calculate (shear viscosity, shear stress, and so on).

c. Define the numerical parameters for the curve calculation.

d. Select the fluid model that matches your experimental data best, and define initial values
for the associated material parameters.

e. Vary the value of one material parameter at a time and draw the resulting data curve, until
you find the combination that results in a curve most similar to your experimental curve.

f. When you are satisfied with the curve fitting, save the material parameters to a material
data file, which you can read into Ansys Polydata during your problem definition.

• For the automatic procedure:

a. Select the fluid model that matches your experimental data best, and specify whether or
not you want to fix any of the associated material parameters to a constant value.

b. Specify the experimental data curves: type of data, temperature (if needed), and filename.

c. Draw the experimental curves.

d. Specify the name of the material data file to which Ansys Polymat should save the material
parameters when the fitting is complete.

e. Define the numerical parameters for the curve fitting.

f. Have Ansys Polymat perform the fitting calculation by varying each of the non-fixed mater-
ial parameters until the best combination is determined. By default, the computed curves
are displayed on the same plot as the experimental data curves to allow for comparison.

1.4. Starting Ansys Polymat

The installation process (described in the separate installation instructions for your computer type) is
designed to ensure that the requested program is launched when you follow the instructions below.
If it is not, consult your computer systems manager or your technical support engineer.

On Linux systems, all programs are started by typing the appropriate command from the command
line of an xterm window. On Windows systems, you will type the appropriate command in an MS-DOS
Command Prompt window.

To start Ansys Polymat, type

polymat

You can also start Ansys Polymat from the Programs menu in Ansys Polyman. First, select a .mat file,
and then select the Programs/Others/Polymat menu item or type Ctrl+M. See the Ansys Polyflow User’s
Guide for details about Ansys Polyman.

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Getting Started

It is also possible to launch Ansys Polymat from within Ansys Polydata, by selecting the Curve Fitting
menu item in Ansys Polydata’s Material data menu.

1.5. Starting Ansys Polycurve

Ansys Polycurve is a limited version of the Ansys Polymat user interface that can be used if you simply
want to visualize data curves, without generating a material data file.

On Linux systems, all programs are started by typing the appropriate command from the command
line of an xterm window. On Windows systems, you will type the appropriate command in an MS-DOS
Command Prompt window.

To start Ansys Polycurve, type

polycurve

1.6. Sample Session

To demonstrate the use of Ansys Polymat to perform a simple fitting task, a sample session is provided
in this section. You can follow (or just read) the instructions here to gain some insight into how Ansys
Polymat is used.
1.6.1. Problem Description
1.6.2. Outline of Procedure
1.6.3. Using the Non-Automatic Fitting Method
1.6.4. Using the Automatic Fitting Method

1.6.1. Problem Description

Consider a fluid for which you have the following experimental data for the shear viscosity vs. the
shear rate:

Shear Rate (1/s) Shear Viscosity (Pa-s)

0.01 4000
0.10 900
1.00 200
10.00 50
100.00 10
1000.00 1

This data is displayed on a log-log plot in Figure 1.3: Log-Log Plot of Shear Viscosity vs. Shear
Rate (p. 25).

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 Sample Session

Figure 1.3: Log-Log Plot of Shear Viscosity vs. Shear Rate

With a little experience, you can easily identify which viscous behavior the fluid seems to obey. In
particular, for this case, you can observe that the viscous behavior of the fluid seems to follow the
power-law model, which is one of the generalized Newtonian models available in Ansys Polymat.

1.6.2. Outline of Procedure

In this sample session, you will use Ansys Polymat to find the correct parameters for the power-law
model for the fluid with the behavior described in Problem Description (p. 24). There are two fitting
methods available in Ansys Polymat, and you will use both of them in this example. In the first (non-
automatic) method, you will change the value of one parameter at a time until you find the best fit.
In the second (automatic) method, Ansys Polymat will calculate the best fit for you. Each of these
methods is outlined in Steps for Fitting Material Parameters (p. 22) and described in more detail in
Fitting Material Parameters (p. 57).

Using the Non-Automatic Fitting Method (p. 25) shows how to perform the fitting in this example
using the non-automatic method, and Using the Automatic Fitting Method (p. 32) shows how to
perform automatic fitting.

1.6.3. Using the Non-Automatic Fitting Method

This section demonstrates how to use Ansys Polymat to perform non-automatic fitting.

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Getting Started

1.6.3.1. Defining the Experimental Data

Start Ansys Polymat by typing polymat, as described in Starting Ansys Polymat (p. 23). You will
use the Ansys Polymat graphical user interface (which is described in User Interface (p. 37)) to set
up your model.

Click the curve button to open the Create a New Curve dialog box (Figure 1.4: The Create a
New Curve Dialog Box (p. 26)).

Figure 1.4: The Create a New Curve Dialog Box

Enter Viscosity for Name; this will act as the name of your data curve. Next, enter the coordinates
of each of the 6 data points listed in Problem Description (p. 24) in the appropriate X and Y column
of each numbered row, as shown in the previous figure. Finally, click OK to close the dialog box
and plot the data points in the chart.

The curve list (Figure 1.5: The Curve List (p. 27)) will now contain a single curve: Viscosity.

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 Sample Session

Figure 1.5: The Curve List

1.6.3.2. Specifying the Curves to be Calculated

Next, in order to fit a model to your experimental data curve, you will select the curves to be calcu-
lated. In this case, it is just the shear viscosity curve that is to be fitted, but in other cases you will
usually have multiple data curves available.

Click the Rheometry menu button (located near the top left side of the application window) to
open the Load Curves (Part I) menu. The Shear Viscosity curve is selected by default, so you can
simply select Upper level menu to return to the main menu.

1.6.3.3. Defining Numerical Parameters

There are several parameters you can modify to control the calculation of the model curves. Click
the Numerics menu button to open the Numerical Parameters menu. For this example, you will
keep the default settings (log-log plot, 100 data points, and so on), so you can simply select Upper
level menu to return to the main menu. See Defining Numerical Parameters (p. 58) for details
about these parameters.

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Getting Started

1.6.3.4. Defining the Type of Fluid Model

To define the type of fluid model you want, select the Select Fluid Model menu item in the Ansys
Polymat menu.

Select Fluid Model

The default selection is for an isothermal Generalized Newtonian model, so you can simply select
Upper level menu to return to the main menu.

1.6.3.5. Fitting the Material Parameters

Now you can choose the power-law model and set initial values for its parameters. In the Ansys
Polymat menu, select Material Data.

Material Data

Then choose Shear-rate dependence of viscosity.

Shear-rate dependence of viscosity

In the resulting menu, select Power law.

Power law

As described in Power Law (p. 76), the viscosity η depends on the shear rate as follows in the
power law:
(1.1)

The parameters K, λ, and n are called, respectively, fac, tnat, and expo in the Ansys Polymat interface.
Each has a default value of 1. The parameter K corresponds to the shear viscosity obtained at a
shear rate . In view of this, the same viscous behavior can be described by means of various
sets of K, λ pairs.

Before doing any fitting, you need to estimate the minimum and maximum shear rates occurring
in the flow being simulated. You will try to fit the power-law model to the experimental curve in
that range of values. For this example, the minimum and maximum shear rates are considered to
be 0.1 and 10 s-1.

As a first step, you will try to determine the value of K that matches at least one experimental data
point, say, at a shear rate of 1. For this, consider λ=1 and n=1 (the default values). λ has been taken
as the inverse of the selected shear rate, , so that the argument of the power law is 1. You will
change the value of K until the viscosity curve matches the experimental data at the point (1, 200).

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 Sample Session

1.6.3.5.1. Finding the Value of K

1.6.3.5.1.1. Trying K=1

First, try keeping K=1 (the default value). Click the Draw menu button. Ansys Polymat will use
your initial values to compute a shear viscosity curve; this computed curve will then be drawn
in the same chart that displays the experimental data points you added previously.

Figure 1.6: Computed Viscosity Curve for K=1

1.6.3.5.2. Trying Other Values of K

Now you can try other values of K and have Ansys Polymat compute the viscosity curves for those
values.

To modify the value of K, click the Modify fac menu item in the Ansys Polymat menu and set
the new value using the dialog box that opens.

Modify fac

Set K=50, and click the Draw menu button to update the chart with the new curve. Repeat for
K=500 and K=200. Figure 1.7: Computed Viscosity Curves for Various Values of K (p. 30) shows

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Getting Started

all of the curves for the various values of K. The curve for K=200 matches the point (1, 200), so
this is the value you will keep for K.

Figure 1.7: Computed Viscosity Curves for Various Values of K

1.6.3.5.2.1. Finding the Value of n

Now that you have determined the best value for K, you can begin to determine the best value
for n, keeping K=200 and λ=1. Changing the value of n will rotate the computed curve around
the point .

To modify the value of , click the Modify expo menu item in the Ansys Polymat menu and
set the new value using the dialog box that opens.

Modify expo

Try setting n to 0.7, 0.5, and 0.3, and click the Draw menu button to update the chart with the
new curve after each change in n. Figure 1.8: Computed Viscosity Curves for Various Values of
n (p. 31) shows all of the curves for the various values of n. The curve for n=0.3 matches the
experimental data (in the range from 0.1 to 10 s-1), so this is the value you will keep for n.

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 Sample Session

Figure 1.8: Computed Viscosity Curves for Various Values of n

Thus the fitted values of the parameters are K=200, n=0.3, and λ=1. A change in λ will neces-
sarily lead to a change in K.

1.6.3.6. Saving the Parameters to a Material Data File

Once you are satisfied with the parameters, you can save them to a material data file. Click Upper
level menu three times to return to the top-level Ansys Polymat menu. Then click Save in a Mater-
ial Data File.

Save in a Material Data File

In the resulting dialog box, specify a name for the material data file (e.g., sample.mat) and click
Open. When asked if you want to define or check the system of units, click No.

1.6.3.7. Saving the Experimental Data to a File

Since you are going to be using the same experimental data to practice using the automatic fitting
method, it will save you some time if you can reuse these experimental data, instead of redefining
them.

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Getting Started

To save the experimental data, first select the Viscosity from the curve list on the right side of the
application window. Then click the curve button, which is located above the curve list. In the
dialog box that opens, specify a name for the curve file (sample.crv) and click Save.

1.6.3.8. Exiting from Ansys Polymat

Once you have saved the material data file, you can end the Ansys Polymat session by clicking Exit
from the File drop-down menu, located at the top left side of the application window.

File → Exit

1.6.4. Using the Automatic Fitting Method

This section demonstrates how to use Ansys Polymat to perform automatic fitting. You will read in
the experimental data from the curve file saved at the end of the non-automatic procedure.

1.6.4.1. Defining the Type of Fluid Model

Start a new session of Ansys Polymat by typing polymat, as described in Starting Ansys Poly-
mat (p. 23). The first step is to define the type of fluid model you want. Click the Select Fluid
Model menu item in the Ansys Polymat menu.

Select Fluid Model

The default selection is for an isothermal Generalized Newtonian model, so you can simply select
Upper level menu to return to the main menu.

1.6.4.2. Fixing the Values of Parameters to Remain Constant

Now you can choose the power-law model and fix values for any parameters that you do not want
to be involved in the fitting calculation. In the Ansys Polymat menu, click Material Data.

Material Data

Then click Shear-rate dependence of viscosity.

Shear-rate dependence of viscosity

In the resulting menu, click Power law.

Power law

By default, all parameters (K, λ, and n) are subject to modification during the fitting calculation.
Since you are interested in fitting the curve for the case where λ=1, you can fix the value of λ so
that it remains constant during the fitting calculation.

To fix the value of λ, first click the Fix menu button. Click OK when Ansys Polymat informs you
that fixing is enabled. Click Modify tnat and click OK to keep the default value of 1.

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 Sample Session

Modify tnat

Then click tnat is a fixed value to specify that λ is to remain constant during the fitting calculation.

tnat is a fixed value

Click Upper level menu, and then click the Fix menu button again to disable fixing.

Click Upper level menu three more times to return to the top-level Ansys Polymat menu.

1.6.4.3. Reading in the Experimental Data

In the top-level Ansys Polymat menu, click Automatic fitting.

Automatic fitting

Then click Add experimental curves.

Add experimental curves

Click Add a new curve.

Add a new curve

Click Enter the name of the curve file and, in the resulting dialog box, select the file sample.crv
you created previously and click OK.

Enter the name of the curve file

Click Upper level menu twice to return to the Automatic Fitting menu.

1.6.4.4. Drawing the Experimental Data Curve

In the Automatic Fitting menu, click Draw experimental curves to plot the experimental data
points in the chart.

Draw experimental curves

1.6.4.5. Limiting the Range of the Fitting Calculation

As discussed in the non-automatic procedure, the range of shear rates that is of interest is from 0.1
to 10. To limit the range for the fitting calculation, begin by clicking Numerical options for fitting
in the Automatic Fitting menu.

Numerical options for fitting

Then click Modify the window of shear rates and, when prompted, enter 0.1 for the minimum
shear rate and 10 for the maximum.

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Getting Started

Modify the window of shear rates

Click Upper level menu to return to the Automatic Fitting menu.

1.6.4.6. Specifying a Name for the Material Data File

Before you run the automatic fitting, you need to provide a name for the file where Ansys Poly-
mat will save the results of the fitting calculation. You can read this material data file into Ansys
Polydata when you are setting up the flow simulation, or read it into a later Ansys Polymat session
to examine the curves again or perform further fitting.

To define the filename for the material data file, click Enter the name of the result file in the
Automatic Fitting menu.

Enter the name of the result file

Specify the name auto.mat in the Enter the name of the mat file dialog box that opens, and
click Open.

1.6.4.7. Performing the Automatic Fitting

Click the Run fitting... menu item in the Automatic Fitting menu.

Run fitting...

Ansys Polymat will automatically compute the shear viscosity curve, save the results to the auto.mat
file, and update the chart to show the computed and experimental curves. Figure 1.9: Automatically
Computed Viscosity Curve (p. 35) shows the resulting chart.

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 Sample Session

Figure 1.9: Automatically Computed Viscosity Curve

You can view calculated parameter values by clicking the View listing of fitting menu item in the
Automatic fitting menu.

View listing of fitting

The values of the parameters for this sample session are as follows: K=208.0, λ=1, and n=0.3723.
These values are close to those you determined using the non-automatic procedure, but the auto-
matic procedure has provided a slightly more accurate result with much less effort from you.

You can end the Ansys Polymat session by clicking Exit from the File drop-down menu, located at
the top left side of the application window.

File → Exit

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Chapter 2: User Interface
This chapter describes the Ansys Polymat and Ansys Polycurve graphical user interfaces.
2.1. Polymat GUI Components
2.2. Polycurve GUI Components

2.1. Polymat GUI Components

The Polymat graphical user interface (GUI) is made up of nine main components: the menu bar, menu
buttons, menu, chart buttons, chart window, curve buttons, curve list, curve settings, and output text
window. When you use the GUI, you will be interacting with one of these components (or a dialog box
opened by one of these components) at all times. Figure 2.1: The Ansys Polymat GUI Components (p. 38)
is a sample screen shot showing all of the GUI components. These components allow you to create 2D
graphics that visualize the rheological properties of various fluid models and fit them to experimental
data. The nine GUI components are described in detail in the subsequent sections.

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User Interface

Figure 2.1: The Ansys Polymat GUI Components

2.1.1. The Menu Bar

The menu bar (Figure 2.2: The Menu Bar (p. 38)) provides drop-down menus.

Figure 2.2: The Menu Bar

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 Polymat GUI Components

The File drop-down menu provides the following selections:

• Options opens the Polymat Options dialog box, which you can use to modify the font used for
the comments (that is, the notes at the top of the menu), the menu items, and the output text
window.

• Exit closes the Polymat application.

The Help drop-down menu provides the following selections:

• Current Menu opens the Online Help window, shown in Figure 2.3: The Online Help Window (p. 39).
This window provides information about the currently displayed menu.

Figure 2.3: The Online Help Window

If you want to see more information about a particular topic, click the Index link in the Online
Help window. The Online Help window will display the Polyflow Reference Manual : Index
(Figure 2.4: The Polyflow Reference Manual : Index (p. 40)), which provides an alphabetical list of
topics. Click the topic of interest to view the available information. Click OK to close the window
when you are done using the help system.

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User Interface

Figure 2.4: The Polyflow Reference Manual : Index

• Polymat User's Guide... opens the Polymat User's Guide in the Ansys Help. Note that the Ansys
Help provides access to other Ansys documentation as well.

• About... opens a window that displays installation details, including the external version numbers
of the Ansys products you have installed (which change with each release) and the internal build
ID of Polymat (which may or may not change with each release). When speaking with your technical
support engineer, it is the internal build ID that is more relevant.

2.1.2. The Menu Buttons

The menu buttons (Figure 2.5: The Menu Buttons (p. 40)) perform commonly executed actions and
open menus.

Figure 2.5: The Menu Buttons

The following menu buttons are available:

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 Polymat GUI Components

• Numerics opens the Numerical Parameters menu, where you can define the numerical parameters
used to calculate the rheological curves.

• Rheometry opens the Load Curves (Part I) menu where you can specify which rheological curves
you want to compute and display (for example, shear viscosity, shear stress).

• Draw displays all curves (selected in the Load Curves (Part I) menu) in the chart window. These
curves are generated based on the current data you have entered.

• Fix turns on or off the fixing of material data parameters for the automatic fitting method. See
Fixing Values for Selected Material Parameters (p. 63) for details.

2.1.3. The Menu

The menu (Figure 2.6: The Menu (p. 41)) is where you will select the menu items used to set up your
analysis. The available menus are accessed via menu buttons or menu items.

Figure 2.6: The Menu

2.1.4. The Chart Buttons

The chart buttons (Figure 2.7: The Chart Buttons (p. 41)) perform actions in the chart window and
provides help for plotting curves.

Figure 2.7: The Chart Buttons

The following chart buttons are available:

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User Interface

• The New Chart button ( ) adds a new chart tab in the chart window.

• The Auto Range button ( ) adjusts the scale of the axes of the current chart tab to show
all of the data points.

• The Save... button ( ) allows you to save an image of the current chart to a file using the
Save As dialog box.

• The Import... button ( ) allows you to import a curve file using the Import curve file
dialog box.

2.1.5. The Chart Window

The chart window (Figure 2.8: The Chart Window (p. 42)) shows the experimental or computed curves.
The chart window can display multiple chart tabs, and is updated by the Draw menu button or by
the various curve buttons. See Defining and Plotting Curves (p. 173) for details.

Figure 2.8: The Chart Window

You can translate the view of the curves by clicking the left mouse button in a chart and dragging
the mouse. You can revise the magnification of the view, by hovering your mouse over the chart and
rotating the scroll wheel of your mouse. You can also zoom in by positioning the mouse at the corner
of the area to be magnified, holding down the middle mouse button, and dragging the mouse to

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 Polymat GUI Components

create a rectangle; when you release the middle mouse button, the area within the rectangle will fill
the chart.

2.1.6. The Curve Buttons

The curve buttons (Figure 2.9: The Curve Buttons (p. 43)) allow you to take action related to curve
data.

Figure 2.9: The Curve Buttons

The following curve buttons are available:

• The button allows you to create a curve, by inputting coordinates in the Create a New Curve
dialog box that opens.

• The button deletes the curve selected in the curve list.

• The button allows you to save the data associated with the curve selected in the curve list to
a file, via the Save curve dialog box that opens.

• The button allows you to move or copy the curve selected in the curve list to another chart,
via the Move or Copy Curve(s) dialog box that opens.

• The button allows you to edit the curve selected in the curve list, via the Edit <name> dialog
box that opens (where <name> is the name of the selected curve).

2.1.7. The Curve List

The curve list (Figure 2.10: The Curve List (p. 44)) displays the created curves, and allows you to select
curves when taking action with a curve button.

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User Interface

Figure 2.10: The Curve List

2.1.8. The Curve Settings

The curve settings (Figure 2.11: The Curve Settings (p. 44)) allow you to manipulate the lines and
markers displayed for the curve selected in the curve list.

Figure 2.11: The Curve Settings

The curve settings includes the following controls:

• The Line drop-down list allows you to specify whether a line is displayed between the plotted
points of the curve selected in the curve list, and provides options for the kind of line.

• The Color button displays the currently selected color for the line drawn by the Line drop-down
list, and when clicked, allows you to change the color via the Color dialog box that opens.

• The Thickness number-entry box allows you to specify the thickness of the line drawn by the Line
drop-down list.

• The Marker drop-down list allows you specify the plotted points of the curve selected in the curve
list.

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 Polycurve GUI Components

2.1.9. The Output Text Window

The output text window (Figure 2.12: The Output Text Window (p. 45)) displays information on the
progress of Polymat and possible warnings and errors.

Figure 2.12: The Output Text Window

2.2. Polycurve GUI Components

The Polycurve graphical user interface (Figure 2.13: The Ansys Polycurve GUI (p. 46)) is made up of six
main components: the chart buttons, chart window, curve buttons, curve list, curve settings, and output
text window. These components behave in the same manner as those in Polymat, as described in the
previous sections. Polycurve is essentially a limited version of Polymat, with an additional Exit chart

button ( ) that can be used to close the application, as well as an additional Help chart button

( ) that opens the Ansys Help to the section of the Polymat User's Guide that describes how to
define and plot curves (that is, Defining and Plotting Curves (p. 173)). Note that the Ansys Help provides
access to other Ansys documentation as well.

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User Interface

Figure 2.13: The Ansys Polycurve GUI

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Chapter 3: Reading and Writing Files
This chapter describes the different types of files that are used during an Ansys Polymat session. Inform-
ation in this chapter is presented in the following sections:
3.1. Files Written or Read by Ansys Polymat and Ansys Polycurve
3.2. Reading Experimental Data
3.3. Saving Experimental Data
3.4. Reading and Writing Material Data
3.5. Reading CAMPUS Material Property Files

3.1. Files Written or Read by Ansys Polymat and Ansys Polycurve

During an Ansys Polymat session, you will generally need to read and write several kinds of files.
Table 3.1: Files Written and Read by Ansys Polymat and Ansys Polycurve (p. 47) lists the files that Ansys
Polymat and Ansys Polycurve can read and/or write. You can use this table to get an overview of the
files you may be using, to find out which codes write a particular file, and to see where to look for more
information on each file.

Table 3.1: Files Written and Read by Ansys Polymat and Ansys Polycurve

File Type Created By Used By Default See...

Name or
Suffix
Experimental Ansys Polycurve, Ansys Polymat, .crv Reading Experimental
Data Curve assorted Ansys Polycurve Data (p. 47), Saving
Experimental
Data (p. 51)
Material Data Ansys Polymat, Ansys Polymat, .dat Reading and Writing
Ansys Polydata Ansys Polydata Material Data (p. 51)
CAMPUS Data CAMPUS Ansys Polymat .cmp Reading CAMPUS
Material Property
Files (p. 51)

3.2. Reading Experimental Data

This section describes the following topics:
3.2.1. Reading Experimental Data Curves for the Non-Automatic Fitting Method
3.2.2. Reading Experimental Data Curves for the Automatic Fitting Method

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Reading and Writing Files

3.2.1. Reading Experimental Data Curves for the Non-Automatic Fitting

Method
If you are using the non-automatic fitting method in Ansys Polymat, you will need to read a file
containing the curve data. Note that it is also possible to define the experimental data curve within
Ansys Polymat, as described in Working with Curves (p. 174). If the data is available in a file, however,
it will be quicker to simply read the file.

The format of curve files (which is the same as the format of Polyflow probe files) is as follows:
#
Title or name of the current curve
#
#
#
x1 y1
x2 y2
etc.

The first five lines contain an optional header containing the curve name. The remaining lines are a
set of points that define the curve. On each line there is one pair of values, with up to 14
characters per value (including the — sign at the beginning of a negative number) and 7 digits after
the decimal point, separated by a blank space. An excerpt from a sample curve file is shown below:
#
Shear viscosity: 1
#
#
#
1.0000000e-03 2.5178512e+04
1.2045038e-03 2.2103666e+04
1.4508285e-03 1.9404324e+04
1.7475284e-03 1.7034652e+04
2.1049045e-03 1.4954349e+04
2.5353641e-03 1.3128096e+04
3.0538556e-03 1.1524868e+04
3.6783805e-03 1.0117430e+04
4.4306209e-03 8.8818760e+03
5.3366995e-03 7.7972090e+03
6.4280746e-03 6.8449990e+03
7.7426359e-03 6.0090786e+03

To read experimental data files into Ansys Polymat, follow this procedure:

1. Click the chart button to open the Import curve file dialog box (Figure 3.1: The Import
curve file Dialog Box (p. 49)), which you can select the appropriate file.

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 Reading Experimental Data

Figure 3.1: The Import curve file Dialog Box

2. Repeat the previous step to import additional experimental data curves.

3. If you want to remove a curve file you after it has been imported, you can click it in the curve
list in Polymat and click the curve button.

3.2.2. Reading Experimental Data Curves for the Automatic Fitting Method
If you are using the automatic fitting procedure in Ansys Polymat, you will need to read your experi-
mental curve data directly into Ansys Polymat. The format of the curve file is provided in Reading
Experimental Data Curves for the Non-Automatic Fitting Method (p. 48), and the procedure for
reading it is as follows:

1. In the Automatic Fitting menu, click the Add experimental curves menu item.

Add experimental curves

2. Select Add a new curve.

Add a new curve

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Reading and Writing Files

3. Specify the name of the file containing the data curve.

Enter the name of the curve file

Note that, for a viscoelastic model, you will need to define three types of curves: viscosity/shear-
rate, storage modulus, and loss modulus. You can also define an optional transient uniaxial ex-
tensional viscosity curve. You can specify the curves in any order; the type of the curve you read
in will be defined in the next step.

4. If the flow is viscoelastic, specify which type of curve this is.

Modify the curve type

If the file you just read in contains the viscosity vs. shear-rate curve, click steady shear viscosity;
if it contains the storage modulus vs. angular frequency curve, click storage modulus G’; if it
contains the loss modulus vs. angular frequency, click loss modulus G"; if it contains the transient
extensional viscosity curve, click transient extensional flow; and if it contains the first normal
stress difference vs. shear rate curve, click 1st Normal Stress Difference.

For a transient extensional flow, you must also specify some flow characteristics such as:

• Mode (uniaxial, biaxial, planar)

• Whether the curve is extensional viscosity vs. time or stress vs. strain (ln(1/lo)), where lo is the
initial length of the fiber and l is its current length.

• Whether the fiber is stretched at constant strain rate or at constant stretch velocity.

5. If the flow is non-isothermal, specify the temperature at which the data were measured.

Modify the temperature

6. If the flow is viscoelastic and the file you just read in contains the transient extensional viscosity
curve, specify the initial strain rate ( , where lo is the initial length of the fiber
and V is the initial extension viscosity.

Modify the initial strain rate (V/lo)

7. Return to the upper level menu.

Upper level menu

The curve name will be added to the List of Experimental Curves menu.

8. If you need to modify any of the settings for a previously defined curve, click its name in the
List of Experimental Curves menu. If you want to delete a curve, click Remove a curve. Then
select the name of the curve to be deleted, or click Remove all curves to delete all the curves
that have been defined.

9. Repeat the steps above if you have additional curves to define.

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 Reading CAMPUS Material Property Files

3.3. Saving Experimental Data

If you want to save experimental data from Ansys Polymat, follow the steps below. The format of the
curve file is described in Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 48).

1. Plot the data curve, as described in Reading Curve Files (p. 175).

2. In the curve list, click the data curve you want to save.

3. Click the curve button, and specify a name for the experimental data file in the browser that
opens.

3.4. Reading and Writing Material Data

To save a material data file so you can use it in setting up a problem in Ansys Polydata, click the Save
in a Material Data File menu item in the top-level Ansys Polymat menu.

Save in a Material Data File

Note that Ansys Polymat will save a material data file automatically after it performs automatic fitting.
See Automatic Fitting (p. 62) for details.

If you have saved a material data file from Ansys Polymat (or from Ansys Polydata), you can read it into
Ansys Polymat by clicking the Read a Material Data File menu item.

Read a Material Data File

Reading in an existing material data file is a convenient way to start a related fitting analysis. For example,
you can use the relaxation times and corresponding partial viscosities of a given model to perform a
fitting analysis to find nonlinear parameters. You can also read in an existing material data file in order
to draw the property curves for the model (for example, viscosity vs. shear rate) and possibly compare
them with experimental data.

3.5. Reading CAMPUS Material Property Files

If you have a file containing material properties from the CAMPUS material database (version 3.0 or
later), you can import this material data into Ansys Polymat by clicking the Load a Campus File menu
item in the top-level Ansys Polymat menu.

Load a Campus File

The following properties can be read from the CAMPUS file:

• density of melt

• thermal conductivity of melt

• heat capacity of melt

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Reading and Writing Files

• curve(s) of viscosity vs. shear rate at a given temperature

• viscosity model parameters

Note that all data in a CAMPUS file are in the MKS unit system. See Unit Systems (p. 53) for information
about converting to a new unit system.

A sample CAMPUS file is shown below:

########
#GE Plastics Europe
#CAMPUS Version 4.1
#July 1999
#ENDURAN 7062
BEGIN DENSITY_OF_MELT
#kg/m3 1600
ENDOF DENSITY_OF_MELT
BEGIN THERMAL_CONDUCTIVITY_OF_MELT
#W/(m K)
0.29
ENDOF THERMAL_CONDUCTIVITY_OF_MELT
BEGIN SPEC_HEAT_CAPACITY_OF_MELT
#J/(kg K)
1500
ENDOF SPEC_HEAT_CAPACITY_OF_MELT
BEGIN VISCOSITY_CURVES
260 Enduran7062_260.crv
270 Enduran7062_270.crv
280 Enduran7062_280.crv
ENDOF VISCOSITY_CURVES
BEGIN CARREAU_WLF
#K1
#Pa s
138.652
#K2
#s
0.0005006
#K3
0.678041
#K4
#C
270
#K5
#C
187.121
BEGIN FORMULA
#
# viscosity = F(g*H(T)) * H(T)
#
# F(g) = K1 / ( 1 + K2 * g ) ** K3
#
# H(T) = exp [ 8.86 * (K4-K5)/(101.6+K4-K5) - 8.86 *
(T-K5)/(101.6+T-K5)]
#
ENDOF FORMULA
ENDOF CARREAU_WLF
########

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Chapter 4: Unit Systems
Information about unit systems for Ansys Polymat is presented in this chapter.
4.1. Overview of Units
4.2. Converting to a New Unit System
4.3. Restrictions on Units

4.1. Overview of Units

By default, all material data inputs to Ansys Polymat are in the international MKS (meter, kilogram,
second) unit system. You can, however, change to a different unit system, such as the CGS (centimeter,
gram, second) system. You can also specify different units for individual quantities (length, mass, time,
temperature, or electric current), rather than using a standard system of units. This allows you to cus-
tomize the units to match your data, thus simplifying the setup procedure by eliminating the need to
convert the units yourself.

For example, if your viscosity data is in poise (g/s-cm) instead of Pa-s (kg/s-m), you should change the
length units from meters to centimeters and the mass units from kilograms to grams.

4.2. Converting to a New Unit System

If you want to change to a new unit system for material data, rather than the default MKSA + Kelvin
system (for example, if you want to change to CGSA + Celsius, or keep MKSA but use Fahrenheit for
temperature instead of Kelvin), then follow the steps below.

1. Select Change system of units in the top-level Ansys Polymat menu.

Change system of units

Ansys Polymat will show a menu that includes the current units for length, mass, time, temperature,
and electric current.

2. Specify the system of units that you are currently using for material data. By default, the current
system is MKSA + Kelvin unit for temperature. If you have been entering inputs using a different
unit system (for example, if you have been entering values based on a mass unit of grams instead
of kilograms), then you need to modify the current system to ensure that your past inputs are
converted properly to the new unit system.

a. Select Define current system of Units

Define current system of Units

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Unit Systems

(Note that this menu item is called Modify current system of Units if you have selected it
before.)

The new menu presents a set of common systems of units. Select the system that corresponds
to your system of units. The standard systems are:

• American #1, using inch, pound, second, Ampere and Fahrenheit units

• American #2, using feet, pound, second, Ampere and Fahrenheit units

• Metric #1, using millimeter, gram, second, milliAmpere and Celsius units

• Metric #2, using centimeter, gram, second, Ampere and Celsius units (CGSA + Celsius)

• Metric #3, using meter, kilogram, second, Ampere and Celsius units (MKSA + Celsius)

• Metric #4, using meter, kilogram, second, Ampere and Kelvin units (MKSA + Kelvin,
the default system)

b. If none of the options corresponds to your case, select each quantity to be modified and
choose its correct unit.

c. When you are done defining units, select Upper level menu and review the current system
of units.

Your current system of units will be named user defined system in the comment part
of the menu if it does not correspond to a standard system. If you want to return to a standard
system, then select it in the menu.

3. Specify the system of units to which you want to convert your inputs (and continue to use for
subsequent inputs after the conversion).

a. Select Define new system of Units.

Define new system of Units

(Note that this menu item will be called Modify new system of Units if you have selected it
before.)

The new menu presents the same set of common systems of units as described above. If one
of the common systems corresponds to your system, then select it.

b. If none of the options corresponds to your case, select each quantity to be modified and
choose its unit.

c. When you are done defining units, select Upper level menu and review the new system of
units. Your new system of units will be named user defined system in the comment
part of the menu if it does not correspond to a standard system. If you want to return to a
standard system, then select it in the menu.

4. Convert from the current system of units to the new system.

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 Restrictions on Units

RUN

Ansys Polymat will convert the units, and open a separate window to report the progress and any
errors or other messages.

5. Press the Return key on your keyboard to close the window. Ansys Polymat will then ask you to
confirm that you want to change to the new unit system.

6. Click Yes to accept the new unit system (or click No to return to the original system of units).

The new system is now the current system. All future inputs in the Material Data menu will be in the
new unit system.

4.3. Restrictions on Units

Note the following restrictions on units:

• All experimental data curves must have the same units.

• The unit conversion described in Converting to a New Unit System (p. 53) is performed only for
quantities in the Material Data menu in Ansys Polymat. Other parameters (data curves, numerical
parameters, temperature at which a viscosity curve is to be computed, and so on) must be in the
new unit system; they will not be converted for you.

• If you save a material data file in a new unit system (for example, CGSA + Celsius) and you use it in
an Ansys Polydata session where MKSA + Kelvin units are being used, be sure to convert the material
data to MKSA + Kelvin in Ansys Polydata, as described in the Ansys Polyflow User’s Guide.

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Chapter 5: Fitting Material Parameters
This chapter explains how to use the automatic and non-automatic fitting methods available in Ansys
Polymat.
5.1. Introduction
5.2. Non-Automatic Fitting
5.3. Automatic Fitting

5.1. Introduction
Ansys Polymat offers two types of fitting for material data: a non-automatic method and an automatic
method. The non-automatic method allows you to perform an in-depth analysis of the properties of a
fluid material. If you use the non-automatic method, you can easily perform a sensitivity analysis of the
basic viscometric and elongational properties with respect to several parameters. The automatic method
is useful for cases where you are primarily interested in directly obtaining the material parameters for
a given fluid. Both methods are available for almost all types of models: generalized Newtonian, differ-
ential viscoelastic, integral viscoelastic, and simplified viscoelastic.

There are, however, the following limitations:

• For the simplified viscoelastic model, only the Newtonian part of the model can be fitted (the rheo-
metric curves evaluated by Ansys Polymat are not recognized by the additional viscoelastic term of
the model).

• For the new differential viscoelastic Leonov model, the fitting is not allowed because the computation
of the rheometric curves are not yet implemented.

The procedures you need to follow to use the non-automatic and automatic methods are presented in
Non-Automatic Fitting (p. 57) and Automatic Fitting (p. 62), respectively. Details about the inputs for
individual fluid models (for example, Bird-Carreau law) are provided in Material Data Parameters (p. 71),
descriptions of the rheological properties for which you can perform fitting are provided in Rheological
Properties (p. 165), and information about controlling the graphical display of the data curves is provided
in Defining and Plotting Curves (p. 173).

5.2. Non-Automatic Fitting

This section explains how to use the non-automatic fitting method in Ansys Polymat.
5.2.1. Steps for Non-Automatic Fitting
5.2.2. Specifying the Curves to be Calculated
5.2.3. Defining Numerical Parameters
5.2.4. Selecting the Type of Fluid Model
5.2.5. Defining Initial Values for the Material Parameters

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Fitting Material Parameters

5.2.6. Performing the Fitting Analysis

5.2.1. Steps for Non-Automatic Fitting

The steps for non-automatic fitting are as follows:

1. Read the experimental data curve(s) or define the experimental data curve(s) in the Ansys Polymat.
See Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 48) and Working
with Curves (p. 174).

2. Specify which curves you want to calculate (shear viscosity, shear stress, and so on). See Specifying
the Curves to be Calculated (p. 58) for details.

3. Define the numerical parameters for the curve calculation. See Defining Numerical Paramet-
ers (p. 58) for details.

4. Select the fluid model that matches your experimental data best, and define initial values for
the associated material parameters. See Selecting the Type of Fluid Model (p. 60) and Defining
Initial Values for the Material Parameters (p. 61) for details.

5. Vary the value of one material parameter at a time and draw the resulting data curve, until you
find the combination that results in a curve most similar to your experimental curve. See Perform-
ing the Fitting Analysis (p. 61) for details.

6. When you are satisfied with the curve fitting, save the material parameters to a material data
file, which you can read into Ansys Polydata during your problem definition. See Reading and
Writing Material Data (p. 51) for details about saving a material data file.

5.2.2. Specifying the Curves to be Calculated

After you have read or defined your experimental data curve(s), you will need to specify which curves
you want Ansys Polymat to calculate during the fitting. See Rheological Properties (p. 165) for details
about the types of curves that are available. To access the Load Curves (Part I) menu (where you
will select the curves to be calculated), click the Rheometry menu button near the top of the Ansys
Polymat application window.

Select each of the curves you want, and click Upper level menu when you are done.

5.2.3. Defining Numerical Parameters

Next you will need to set some parameters that will be used by Ansys Polymat when it calculates the
specified curves during the fitting process. To access the Numerical Parameters menu, click the
Numerics menu button near the top of the Ansys Polymat application window. In this menu, you
can specify the number of points used to represent a curve, whether or not to use a log-log scale,
the range of shear rates, and several other parameters, as described below.

• Number of points: The rheological curves are discretized into a set of points. Using more points
results in a better representation of the curves. The default number of points is 100, which is ac-
ceptable for most cases. To change the number of points, click Modify the number of points in
the Numerical Parameters menu.

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 Non-Automatic Fitting

Modify the number of points

• Logarithmic or linear scale: By default, the scale for the curves will be log x, log y. To change to an
x,y scale, click Switch to linear distr. of points (steady curves) or Switch to linear distr. of points
(transient curves) in the Numerical Parameters menu. The first option applies to steady curves
(for example, viscosity vs. shear rate) and the second applies to transient curves (for example, ex-
tensional viscosity vs. time).

Switch to linear distr. of points (steady curves)

Switch to linear distr. of points (transient curves)

• Range of shear rates: If you want to compare rheological curves obtained for a steady shear flow,
you will need to specify the minimum and maximum values of shear rate for the curves so that
they will all be consistent. To set these values, click Modify the range of shear rates in the Nu-
merical Parameters menu.

Modify the range of shear rates

• Range of extensional strain rates: If you want to compare rheological curves obtained for a steady
extensional flow, you will need to specify the minimum and maximum values of extensional strain
rate for the curves so that they will all be consistent. To set these values, click Modify the range
of exten. strain rates in the Numerical Parameters menu.

Modify the range of exten. strain rates

• Range of times: If you want to compare rheological curves obtained for a transient flow, you will
need to specify the minimum and maximum values of time for the curves so that they will all be
consistent. To set these values, click Modify the range of times in the Numerical Parameters
menu.

Modify the range of times

• Range of angular frequencies: If you want to compare rheological curves obtained for an oscillatory
shear flow, you will need to specify the minimum and maximum angular frequencies for the curves
so that they will all be consistent. To set these values, click Modify the range of angular frequencies
in the Numerical Parameters menu.

Modify the range of angular frequencies

• Time variation of the shear rate: For a transient shear flow, you will need to specify the time variation
of the shear rate. First, choose Modify transient shear flow in the Numerical Parameters menu.

Modify transient shear flow

The shear rate is defined as a piecewise-constant curve. You can specify the number of segments
(Modify the number of intervals), and then specify the range of times and the shear rate for each
interval (Modify the times and Modify the shear rates).

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Fitting Material Parameters

When you request a curve of the transient shear viscosity, Ansys Polymat actually computes the
shear stress. When the shear rate is constant, the shear viscosity can be obtained by dividing the
shear stress by the shear rate; when the shear rate is not constant, this calculation is not always
valid. Most of the time, the transient shear viscosity corresponds to a start-up experiment, where
the shear rate is equal to 0 up to time t, and then it becomes a nonzero constant value (K). In such
cases, the shear rate should be set to the constant K. Ansys Polymat will obtain the current shear
viscosity by dividing the current shear stress by the current shear rate. For more complex cases,
you will need to set the reference shear rate appropriately so that the shear viscosity can be correctly
obtained by dividing the shear stress by the shear rate.

• Time variation of the extensional strain rate: For a transient extensional flow, you will need to
specify the time variation of the extensional strain rate. First, choose Modify transient extensional
flow in the Numerical Parameters menu.

Modify transient extensional flow

The extensional strain rate is defined as a piecewise-constant curve. You can specify the number
of segments (Modify the number of intervals), and then specify the range of times and the exten-
sional strain rate for each interval (Modify the times and Modify the extensional strain rates).

When you request a curve of the transient extensional viscosity, Ansys Polymat actually computes
the extensional stress. When the extensional strain rate is constant, the extensional viscosity can
be obtained by dividing the extensional stress by the extensional strain rate; when the extensional
strain rate is not constant, this calculation is not always valid. Most of the time, the transient exten-
sional viscosity corresponds to a start-up experiment, where the extensional strain rate is equal to
0 up to time t, and then it becomes a nonzero constant value (K). Ansys Polymat will obtain the
extensional viscosity by dividing the current extensional stress by the current extensional strain
rate.

To define the time evolution of the strain rate applied on the fiber you can use either of the following
methods.

– Specify a piecewise-constant curve for the time evolution of the extensional strain rate.

– Specify an extension strain rate decreasing with time following the law:
(5.1)

where the initial extension rate is where V is the constant take-up (or stretch)
and lo is the initial length of the fiber.

• Reference temperature: For a non-isothermal flow, you will need to provide at least one reference
temperature. For each temperature, the rheological curves will be calculated for comparison with
experimental data. To add, modify, or remove a reference temperature, use the List of temperatures
menu, which is opened by clicking Modify the temperature

Modify the temperature

5.2.4. Selecting the Type of Fluid Model

To specify the type of flow you are modeling, choose the Select Fluid Model menu item in the top-
level Ansys Polymat menu.

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 Non-Automatic Fitting

Select Fluid Model

In the resulting menu, you can choose isothermal or non-isothermal generalized Newtonian, differential
viscoelastic, integral viscoelastic, or simplified viscoelastic flow. Click Upper level menu when you
are done.

If you plan to perform fitting for the temperature dependence of the viscosity in a non-isothermal
flow, note that you will need to supply several experimental data curves at different temperatures.

5.2.5. Defining Initial Values for the Material Parameters

Once you have specified the type of fluid model you want to fit (as described in Selecting the Type
of Fluid Model (p. 60)), follow the steps below to set the initial values for the material parameters.
See Material Data Parameters (p. 71) for details about the material parameters for different viscosity
models.

1. Click Material Data in the top-level Ansys Polymat menu.

Material Data

2. Click the menu item for the material property you want to specify (for example, Shear-rate de-
pendence of viscosity).

3. Choose the desired law (for example, Bird-Carreau law).

4. Click the parameter to be set (for example, Modify fac), and enter the initial value.

5. Click Upper level menu.

6. Repeat the previous two steps to define initial values for the other parameters.

7. When you have set initial values for all of the relevant material parameters, click Upper level
menu twice to return to the Material Data menu.

8. If relevant, click the menu item for the next material property you want to specify (for example,
Temperature dependence of viscosity), and follow the same procedure for selecting the desired
law and setting the related initial values.

9. (optional) Specify values for any other relevant properties (for example, Density or Thermal
conductivity). Note that these values will have no effect on the fitting procedure, but setting
them will allow you to save a material data file containing a full description of the fluid model.

10. Click Upper level menu to return to the top-level Ansys Polymat menu.

5.2.6. Performing the Fitting Analysis

Now that you have defined initial values for all the relevant material parameters for your model, you
can begin the process of determining the values that best fit your experimental data.

1. Click the Draw menu button near the top of the Ansys Polymat application window. Ansys
Polymat will use your initial values to compute the curves you selected in the Load Curves (Part

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Fitting Material Parameters

I) menu (as described in Specifying the Curves to be Calculated (p. 58)), and then it will draw
them in the chart.

2. Add the experimental data curve to the plot, by clicking the Import... chart button ( )
and selecting the appropriate file in the browser that opens.

See Defining and Plotting Curves (p. 173) for other information about graphical plots.

3. Return to the Material Data menu and change the values of the material parameters. If you are
not familiar with the fluid model you are using, see Material Data Parameters (p. 71). Note that
it is often easier to vary the material parameters one at a time, so that you can analyze the effects
of each of them before trying to actually fit the model.

4. Click the Draw menu button, and the plot in the chart will be updated to show the new curve
(as well as the old one and the experimental curve).

5. Repeat the previous two steps until the computed curve(s) are close enough to the experimental
curves.

6. If you are varying one parameter at a time, return to the Material Data menu and change the
value of one of the other material parameters. If not, skip to the end of this procedure.

7. Click the Draw menu button to update the plot with the newly computed curve.

8. Continue to change the value of the second parameter and update the plot until you find the
best value for this parameter as well.

9. Repeat the previous three steps until you have found the best values for all parameters.

Important:

Remember to save your values to a material data file, as described in Reading and Writing
Material Data (p. 51).

5.3. Automatic Fitting

This section explains how to use the automatic fitting method in Ansys Polymat:
5.3.1. Steps for Automatic Fitting
5.3.2. Selecting the Type of Fluid Model
5.3.3. Fixing Values for Selected Material Parameters
5.3.4. Defining Numerical Parameters
5.3.5. Drawing the Experimental Curves
5.3.6. Specifying a Name for the Material Data File
5.3.7. Performing the Automatic Fitting Analysis

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 Automatic Fitting

5.3.1. Steps for Automatic Fitting

The steps for automatic fitting are as follows:

1. Select the fluid model that matches your experimental data best, and fix values for any of the
associated material parameters that you want to remain constant during the fitting calculation.
See Selecting the Type of Fluid Model (p. 63) and Fixing Values for Selected Material Paramet-
ers (p. 63) for details.

2. Read the experimental data curve(s) into Ansys Polymat. See Reading Experimental Data Curves
for the Automatic Fitting Method (p. 49) for information about reading a data curve. (If you need
to define a data curve, you can do so by following the steps described in Working with
Curves (p. 174). Then save the curve, as described in Saving Experimental Data (p. 51).)

3. Define the numerical parameters for the curve calculation. See Defining Numerical Paramet-
ers (p. 64) for details.

4. Draw the experimental curve(s). See Drawing the Experimental Curves (p. 67) for details.

5. Specify a name for the material data file that Ansys Polymat creates after it determines the best
material parameter values to fit your experimental data. See Specifying a Name for the Material
Data File (p. 67) for details.

6. Run the automatic fitting, as described in Performing the Automatic Fitting Analysis (p. 67).

5.3.2. Selecting the Type of Fluid Model

To specify the type of flow you are modeling, choose the Select Fluid Model menu item in the top-
level Ansys Polymat menu.

Select Fluid Model

In the resulting menu, you can choose isothermal or non-isothermal generalized Newtonian, differential
viscoelastic, or integral viscoelastic flow. Select Upper level menu when you are done.

If you plan to perform fitting for the temperature dependence of the viscosity in a non-isothermal
flow, note that you will need to supply several experimental data curves at different temperatures.

5.3.3. Fixing Values for Selected Material Parameters

In some cases, you may want to fix the values of some of the material parameters so that they do
not vary during the fitting calculation. For example, the value of a parameter may be fixed due to
physical requirements. The reference temperature for the Arrhenius law is a parameter that is commonly
fixed.

Once you have specified the type of fluid model you want to fit (as described in Selecting the Type
of Fluid Model (p. 63)), follow the steps below to fix the values of any material parameters that you
want to keep constant during the fitting calculation. See Material Data Parameters (p. 71) for details
about the material parameters for different viscosity models.

1. Select Material Data in the top-level Ansys Polymat menu.

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Fitting Material Parameters

Material Data

2. Click the Fix menu button near the top of the Ansys Polymat application window. Ansys Poly-
mat will inform you that fixing is enabled, and the Fix menu button will remain highlighted.

3. Select the menu item for the material property for which you want to fix the value of one or
more parameters (for example, Shear-rate dependence of viscosity).

4. Choose the desired law (for example, Bird-Carreau law).

5. Select the parameter to be fixed (for example, Modify fac), and enter the value.

Important:

You will need to select the parameter even if you plan to keep the default value. By
default, the value will not be fixed; you need to tell Ansys Polymat that it is a fixed
value, and this is done in the menu that appears after you have specified the value.

6. Select the appropriate menu item to indicate that you are setting a fixed value for the parameter
(for example, fac is a fixed value).

7. Select Upper level menu.

8. Repeat the previous three steps to define fixed values for any other parameters that you do not
want to be varied during the fitting calculation.

9. When you have fixed values for all of the appropriate material parameters, click Upper level
menu twice to return to the Material Data menu.

10. If relevant, click the menu item for the next material property for which you want to fix the value
of one or more parameters (for example, Temperature dependence of viscosity), and follow
the same procedure for selecting the desired law and setting the related fixed values.

11. Click the Fix menu button again to disable the fixing of values. Ansys Polymat will inform you
that fixing is disabled, and the Fix menu button will no longer be highlighted.

12. (optional) Specify values for any other relevant properties (for example, Density or Thermal
conductivity). Note that these values will have no effect on the fitting procedure, but setting
them will allow you to save a material data file containing a full description of the fluid model.

13. Select Upper level menu to return to the top-level Ansys Polymat menu.

5.3.4. Defining Numerical Parameters

Next you will need to set some parameters that will be used by Ansys Polymat when it calculates the
curve(s) during the fitting process. To access the Numerical Options for Fitting menu, click the Nu-
merical options for fitting menu item in the Automatic Fitting menu. (You can enter the Automatic
Fitting menu by clicking Automatic fitting in the top-level Ansys Polymat menu.)

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 Automatic Fitting

In the Numerical options for fitting menu, you can specify the range of shear rates, and several
other parameters, as described below. To return to the default settings for all parameters at any time,
click Reset default options.

• Range of relaxation times: If you want to compare rheological curves obtained for a viscoelastic
flow, you will need to specify the minimum and maximum values of the relaxation time for the
curves so that they will all be consistent. To set these values, click Modify the range of relaxation
times in the Numerical Options for Fitting menu.

Modify the range of relaxation times

• Window of shear rates: If you want to compare rheological curves obtained for a steady shear flow,
you will need to specify the minimum and maximum values of shear rate for the curves so that
they will all be consistent. To set these values, click Modify the window of shear rates in the
Numerical Options for Fitting menu.

Modify the window of shear rates

• Window of angular frequencies: If you want to compare rheological curves obtained for an oscillatory
shear flow, you will need to specify the minimum and maximum angular frequencies for the curves
so that they will all be consistent. To set these values, click Modify the window of angular fre-
quencies in the Numerical Options for Fitting menu.

Modify the window of angular frequencies

• Window of times: If you want to compare rheological curves obtained for a transient flow, you will
need to specify the minimum and maximum values of time for the curves so that they will all be
consistent. To set these values, click Modify the window of times in the Numerical Options for
Fitting menu.

Modify the window of times

• Weighting for shear viscosity curves: The weighting allows you to assign more importance to one
or more curves compared to the others. For example, in the fitting of a viscoelastic model, if you
are not interested in fitting the shear viscosity, you should set the weighting for the shear viscosity
curves to a much lower value than for the others.

To set the weighting for the shear viscosity curves, click Modify the weight of shear viscosity
curves in the Numerical Options for Fitting menu.

Modify the weight of shear viscosity curves

• Weighting for the storage and loss moduli curves: The weighting allows you to assign more import-
ance to one or more curves compared to the others. To set the weighting for the storage and loss
moduli curves, click Modify the weight of G’ and G" curves in the Numerical Options for Fitting
menu.

Modify the weight of G’ and G" curves

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Fitting Material Parameters

• Weighting for extensional viscosity curves: The weighting allows you to assign more importance
to one or more curves compared to the others. For example, in the fitting of a viscoelastic model
for a flow that is mainly extensional (for example, fiber spinning), the fitting of the extensional
viscosity must be better than the fitting for the others, so you should set the weighting for the
extensional viscosity curves to a higher value than for the others.

To set the weighting for the extensional viscosity curves, click Modify the weight of extensional
visc. curves in the Numerical Options for Fitting menu.

Modify the weight of extensional visc. curves

• Weighting for the first normal stress difference curves: The weighting allows you to assign more
importance to one or more curves compared to others. To set weighting for the first normal stress
difference curves, click Modify the weight of N1 curves in the Numerical Options for Fitting
menu.

Modify the weight of N1 curves

• Maximum number of iterations: In general, 50 iterations (the default) are enough to get converged
results. However, sometimes more iterations are needed, especially for fitting viscoelastic models.
Select Modify the max. number of iterations item in the Numerical Options for Fitting menu
to modify the default value.

Modify the max. number of iterations

• Activation/deactivation of fitting of relaxation times: By default, relaxation times are not fit. Rather,
they are distributed at a regular interval in the range specified (in a logarithmic scale) via the
Modify the range of relaxation times option. However, it is possible to optimize the distribution
of the relaxation times to obtain a better fit.

When activating the fitting of relaxation times, the range of relaxation times defined above (under
the Modify the range of relaxation times option) can be affected. The acceptable range of relax-
ation times is from (0.999*min_relax_time) to (1.001*max_relax_time). When this option is activated,
the fitting can become more complex, requiring a few more iterations, and increasing the calculation
time to achieve a converged solution. By default, we do not fit the relaxation times

Select Activate fitting of relaxation times item in the Numerical Options for Fitting menu to
enable the fitting of the relaxation times.

Activate/Deactivate fitting of relaxation times

• Identical parameters: When a multi-mode differential viscoelastic model is selected, it is strongly

advised that all modes obey the same constitutive equation. This requirement is even enforced for
some models. Despite this, a multi-mode model may involve a long series of linear and parameters,
which need to be identified on the basis of a few data only. You have the option of enabling the
Use identical non-linear parameters menu option, so that parameters of a given type will be as-
signed the same value for all modes. This may sometimes improve the fitting procedure by increasing
the sensitivity of the model properties with respect to parameters.

Use identical non-linear parameters

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 Automatic Fitting

5.3.5. Drawing the Experimental Curves

To draw the experimental data curves in the chart, click Draw experimental curves in the Automatic
Fitting menu in Ansys Polymat.

Draw experimental curves

See The Curve Settings (p. 44) for information about changing the appearance of the curves.

5.3.6. Specifying a Name for the Material Data File

Before you run the automatic fitting, you need to provide a name for the file where Ansys Polymat will
save the results of the fitting calculation. You can read this material data file into Ansys Polydata when
you are setting up the flow simulation, or read it into a later Ansys Polymat session to examine the
curves again or perform further fitting.

To define the filename for the material data file, click Enter the name of the result file in the
Automatic Fitting menu.

Enter the name of the result file

5.3.7. Performing the Automatic Fitting Analysis

When you have completed the setup of your fitting problem, you can click the Run fitting ... menu
item in the Automatic Fitting menu to begin the fitting calculation.

Run fitting ...

Ansys Polymat will automatically compute curves corresponding to all of the specified experimental
data curves. When the automatic fitting calculation is complete, Ansys Polymat will save the results
to the file you specified in Specifying a Name for the Material Data File (p. 67). When the calculation
is complete, Ansys Polymat will automatically update the chart with the computed curve(s) and the
experimental curve(s). The steady shear viscosity, storage and loss moduli, and the rest normal stress
difference will be plotted on the same log-log graph. A second plot will display the extensional vis-
cosity curve(s), using a logarithmic scale on the Y axis (to represent the viscosity) and a linear scale
on the X axis (to represent time). See The Curve Settings (p. 44) for information about changing the
appearance of the curves.

If you do not want Ansys Polymat to update the curves in the chart automatically, click Do not update
graphics after each run in the Automatic Fitting menu before you run the fitting calculation.

If you want to plot curves other than those that were directly calculated, you can read the material
data file into Ansys Polymat and use the Rheometry menu button near the top of the Ansys Poly-
mat application window to specify additional curves to be plotted. (See Specifying the Curves to be
Calculated (p. 58) for details, then use the Draw menu button to update the chart.

In an automatic fitting for a viscoelastic model, steady shear viscosity, storage modulus, and loss
modulus are the mandatory curves whereas, first normal stress difference and extensional viscosity
are the optional curves. For a generalized Newtonian model, the steady shear viscosity is a mandatory
curve. After an automatic fitting, it is possible to pursue fitting, if necessary.

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Fitting Material Parameters

Select the Pursue fitting ... menu item in the Automatic Fitting menu.

Pursue fitting ...

This option is available after at least one fitting. Fitting is continued with the values of the parameters
of the initialized model using the values obtained at the previous fitting step. The fixed parameters
will not change. You do not have to change any flag associated to the parameter in Material data
menus, Ansys Polymat automatically makes these changes.

You can check how the fitting has been performed using the View listing of fitting menu.

View listing of fitting

When you click the View listing of fitting option, a new window appears, presenting a summary of
the last fitting run.

5.3.7.1. Evaluating the Automatic Fitting

Calculations are stopped when the maximum number of iterations is reached, or if the following
distances are adequately reduced:

• The distance between two successive solutions.

• The distances between the solution and the experimental points.

5.3.7.1.1. Evaluating the Distance Between Two Successive Solutions

Given the assumption that a fluid model has n parameters to fit:
(5.2)

If you compare the value of these parameters for two successive iterations i and i+1, respectfully:
(5.3)
(5.4)

The distance for parameter j becomes:

(5.5)

when , the global distance D is calculated as:

(5.6)

5.3.7.1.2. Evaluating the Distance Between Solution and Experimental Points

Here, assume that you are comparing a single experimental curve to its modelized curve, at iter-
ation i.

The experimental curve is composed of a set of P points:

(5.7)

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 Automatic Fitting

If is the shear rate and if the shear rate range is defined as , the subset of points
having in that interval is taken.

At iteration i, you can evaluate the modelized curve knowing the value of the parameters at that
iteration:
(5.8)

For the set of abscissas , the modelized curve is composed of a set of P points:

(5.9)

The distance for point j can be defined as:

(5.10)

such that

(5.11)

Note that when there are several experimental curves, the distance printed in the listing will be
the sum of the distances of each curve.

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Chapter 6: Material Data Parameters
This chapter describes the fluid models available in Ansys Polymat, including details about the related
material data parameters for each.
6.1. Overview of Fluid Properties and Flow Characteristics
6.2. Generalized Newtonian Flow
6.3. Differential Viscoelastic Flow
6.4. Integral Viscoelastic Flow
6.5. Simplified Viscoelastic Model

6.1. Overview of Fluid Properties and Flow Characteristics

The proper selection of a fluid model is one of the most important aspects in the simulation of a flow.
You need to always consider both the fluid and the flow; a particular constitutive equation is valid for
a given fluid in a given flow.

To determine an appropriate model for your problem, you need to first collect as much data as possible
about the fluid properties. Typical information includes the following:

• Steady viscometric properties (shear viscosity and first normal-stress difference ). These data
characterize the fluid in the presence of large deformations.

• Oscillatory viscometric properties (storage and loss moduli and ), also known as linear viscoelastic
data because they correspond to small deformations.

• Elongational viscosity. Although obtaining data on elongation is difficult and not very frequent,
knowledge of the elongational viscosity is essential in choosing the appropriate constitutive equation
and estimating the values of the various parameters.

These data are not enough to evaluate the relevance of viscoelasticity in a given process. It is also ne-
cessary to characterize the flow itself and compare a characteristic time of the material to a character-
istic time of the flow. In many situations, the flow can be characterized by a critical shear rate, which
can be understood as a wall shear rate in a region of high gradients. For example, in a fiber-spinning
process, a critical shear rate will occur at the wall in the vicinity of the die exit. In a contraction or ex-
pansion flow (for example, Figure 6.1: Contraction and Expansion Flow (p. 72)), consider the shear rate
in the narrow section.

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Material Data Parameters

Figure 6.1: Contraction and Expansion Flow

In a planar flow (Figure 6.1: Contraction and Expansion Flow (p. 72) a),
(6.1)

where is a typical distance.

In an axisymmetric flow (Figure 6.1: Contraction and Expansion Flow (p. 72) b),
(6.2)

where is a typical radius.

You also need to determine the elastic level of the fluid. This can be accomplished by evaluation of the
fluid’s characteristic relaxation time. When the oscillatory functions and are available, their inter-
section (occurring at a shear rate , as shown in Figure 6.2: Storage and Loss Moduli
Curves (p. 73)) is often a reasonable choice for selecting a typical relaxation time. Indeed, flows charac-
terized by a typical shear rate lower than are essentially dominated by viscous forces, while viscoelastic
effects may play an important role in flows characterized by a shear rate higher than .

Note that, due to the technological limitations of some rheometry equipment, it is not always possible
to obtain viscoelastic data in the range of shear rates (or angular frequencies) where the process operates.
In this case, your only option is to extrapolate experimental data for higher shear rates or angular fre-
quencies. The selection of a particular model for such a case will be more qualitative.

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 Generalized Newtonian Flow

Figure 6.2: Storage and Loss Moduli Curves

A typical dimensionless number used to estimate the viscoelastic character of a flow is the Weissenberg
number , which is the product of the relaxation time and a typical shear rate :
(6.3)

When is low, generalized Newtonian models are sufficient to describe the flow; only at higher values
of are viscoelastic models required to characterize memory effects.

Note that the Weissenberg number is probably not the best indicator for viscoelastic models with sev-
eral relaxation times or if there is shear thinning in the flow. In such cases, a useful dimensionless
number is the recoverable shear , defined as the ratio of the first normal-stress difference to twice
the steady shear stress :

(6.4)

The recoverable shear gives the level of elasticity of a flow: if >1, the viscoelastic character of the
flow is important, and a viscoelastic model is required.

6.2. Generalized Newtonian Flow

This section describes the following topics:
6.2.1. Introduction
6.2.2. Shear-Rate Dependence of Viscosity

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Material Data Parameters

6.2.3.Temperature Dependence of Viscosity

6.2.1. Introduction

6.2.1.1. Equations
For a generalized Newtonian fluid, the constitutive equation has the form
(6.5)

where is the extra-stress tensor, is the rate-of-deformation tensor, and is the viscosity, which
can depend upon both the second invariant of and the temperature .

The general form for the viscosity is written as

(6.6)

where is the local shear rate. Therefore, and represent the shear-rate and temperature
dependence of the viscosity, respectively.

6.2.1.2. Inputs

To specify the function , you will click the Shear-rate dependence of viscosity menu item
in the Material Data menu

Shear-rate dependence of viscosity

and to specify the function , you will click the Temperature dependence of viscosity menu
item.

Temperature dependence of viscosity

See Non-Automatic Fitting (p. 57) and Automatic Fitting (p. 62) for information about where and
how the material data specification occurs in the non-automatic and automatic fitting procedures,
respectively.

See Shear-Rate Dependence of Viscosity (p. 74) and Temperature Dependence of Viscosity (p. 86)
for details about the parameters and characteristics of each fluid model.

6.2.2. Shear-Rate Dependence of Viscosity

There are currently 10 laws available for , plus the default constant value.

6.2.2.1. Constant
For Newtonian fluids, a constant viscosity
(6.7)

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 Generalized Newtonian Flow

is the default setting. is referred to as the Newtonian or zero-shear-rate viscosity, and its default
value is 1.

The units for and its name in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –1

Figure 6.3: Constant (Shear-Rate-Independent) Viscosity (p. 75) shows a plot of a constant .

Figure 6.3: Constant (Shear-Rate-Independent) Viscosity

6.2.2.2. Bird-Carreau Law

The Bird-Carreau law for viscosity is
(6.8)

where = infinite-shear-rate viscosity

= zero-shear-rate viscosity
= natural time (that is, inverse of the shear rate at which the fluid changes from
Newtonian to power-law behavior)
= power-law index

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –1
facinf 1 –1 –1
tnat 1

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Material Data Parameters

Parameter Name in Ansys Mass Length Time

Polymat
expo – – –

By default, and are equal to 1, and and are equal to 0. Figure 6.4: Bird-Carreau Law for
Viscosity (p. 76) shows a plot of a for the Bird-Carreau law.

Figure 6.4: Bird-Carreau Law for Viscosity

The Bird-Carreau law is commonly used when it is necessary to describe the low-shear-rate behavior
of the viscosity. It differs from the Cross law primarily in the curvature of the viscosity curve in the
vicinity of the transition between the plateau zone and the power law behavior.

6.2.2.3. Power Law

The power law for viscosity is
(6.9)

where is the consistency factor, is the natural time, and is the power-law index, which is a
property of a given material.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –1
tnat 1
expo – – –

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 Generalized Newtonian Flow

By default, , , and are equal to 1. Figure 6.5: Power Law for Viscosity (p. 77) shows a plot of
for the power law.

Figure 6.5: Power Law for Viscosity

The power law is commonly used to describe the viscous behavior of polymeric materials, such as
polyethylene, with shear rates greater than 2 or 3 decades. If the behavior at low shear rates must
be fitted as well, the Bird-Carreau or Cross law will capture the plateau zone of the viscosity curve
for low shear rates better than the power law.

6.2.2.4. Bingham Law

The Bingham law for viscosity is

(6.10)

where is the yield stress and is the critical shear rate, beyond which Bingham’s constitutive
equation is applied. For shear rates less than , the behavior of the fluid is normalized in order to
guarantee appropriate continuity properties in the viscosity curve.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –1
ystr 1 –1 –2
gcrit – – –1

By default, , , and are equal to 1. Figure 6.6: Bingham Law for Viscosity (p. 78) shows a plot
of for the Bingham law.

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Material Data Parameters

The Bingham law is commonly used to describe materials such as concrete, mud, dough, and
toothpaste, for which a constant viscosity after a critical shear stress is a reasonable assumption,
typically at rather low shear rates.

Figure 6.6: Bingham Law for Viscosity

6.2.2.5. Modified Bingham Law

A modified Bingham law for viscosity is also available:
(6.11)

where .

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –1
ystr 1 –1 –2
gcrit – – –1

By default, , , and are equal to 1. Figure 6.7: Modified Bingham Law for Viscosity (p. 79)
shows a plot of for the modified Bingham law.

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 Generalized Newtonian Flow

Figure 6.7: Modified Bingham Law for Viscosity

Compared to the standard Bingham law, the modified Bingham law is an analytic expression, which
means that it may be easier for Ansys Polyflow to calculate, leading to a more stable solution. The
value has been selected so that the standard and modified Bingham laws exhibit the
same behavior above the critical shear rate, .

6.2.2.6. Herschel-Bulkley Law

The Herschel-Bulkley law for viscosity is

(6.12)

where is the yield stress, is the critical shear rate, is the consistency factor, and is the
power-law index.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac1 1 –1 –2
fac2 1 –1 –1
gcrit – – –1

expo – – –1

By default, , , , and are equal to 1. Figure 6.8: Herschel-Bulkley Law for Viscosity (p. 80)
shows a plot of for the Herschel-Bulkley law.

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Material Data Parameters

Like the Bingham law, the Herschel-Bulkley law is commonly used to describe materials such as
concrete, mud, dough, and toothpaste, for which a constant viscosity after a critical shear stress is
a reasonable assumption. In addition to the transition behavior between a flow and no-flow regime,
the Herschel-Bulkley law exhibits a shear-thinning behavior that the Bingham law does not.

Figure 6.8: Herschel-Bulkley Law for Viscosity

6.2.2.7. Modified Herschel-Bulkley Law

A modified Herschel-Bulkley law is also available:

(6.13)

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac1 1 –1 –2
fac2 1 –1 –1
gcrit – – –1

expo – – –1

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 Generalized Newtonian Flow

By default, , , , and are equal to 1. Figure 6.9: Modified Herschel-Bulkley Law for Viscos-
ity (p. 81) shows a plot of for the modified Herschel-Bulkley law.

Figure 6.9: Modified Herschel-Bulkley Law for Viscosity

Compared to the standard Herschel-Bulkley law, the modified Herschel-Bulkley law is an analytic
expression, which means that it may be easier for Ansys Polyflow to calculate, leading to a more
stable solution. The integer value 3 that appears in the argument of the exponential term has been
selected so that the standard and modified Herschel-Bulkley laws exhibit the same behavior above
the critical shear rate, .

6.2.2.8. Cross Law

The Cross law for viscosity is

(6.14)

where = zero-shear-rate viscosity

= natural time (that is, inverse of the shear rate at which the fluid changes from
Newtonian to power-law behavior)
= Cross-law index (= 1– for large shear rates)

The units for the parameters and their names in the Ansys Polymat interface are as follows:

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Material Data Parameters

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –2
tnat 1
expom – – –

By default, is equal to 1, and and are equal to 0. Figure 6.10: Cross Law for Viscosity (p. 82)
shows a plot of for the Cross law.

Figure 6.10: Cross Law for Viscosity

Like the Bird-Carreau law, the Cross law is commonly used when it is necessary to describe the low-
shear-rate behavior of the viscosity. It differs from the Bird-Carreau law primarily in the curvature
of the viscosity curve in the vicinity of the transition between the plateau zone and the power law
behavior.

6.2.2.9. Modified Cross Law

A modified Cross law for viscosity is also available:

(6.15)

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –2
tnat 1
expom – – –

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 Generalized Newtonian Flow

By default, is equal to 1, and and are equal to 0. Figure 6.11: Modified Cross Law for Viscos-
ity (p. 83) shows a plot of for the Cross law.

Figure 6.11: Modified Cross Law for Viscosity

This law can be considered a special case of the Carreau-Yasuda viscosity law (Equation 6.17 (p. 84)),
where the exponent has a value of 1.

6.2.2.10. Log-Log Law

The log-log law for viscosity is
(6.16)

where is the zero-shear-rate viscosity and , , and are the coefficients of the polynomial
expression.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
a0 – – –
a1 – – –
a11 – – –
fac 1 –1 –1
gcrit – – –1

By default, and are equal to 1, and , , and are equal to 0. Figure 6.12: Log-Log Law
for Viscosity (p. 84) shows a plot of for the log-log law.

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Material Data Parameters

Figure 6.12: Log-Log Law for Viscosity

This viscosity law is purely empirical, but sometimes provides a better fit to experimental data than
the others. Nevertheless, you should pay special attention to the coefficients you specify for the
log-log law, as detailed below.

The function is a parabola in the ( ) space. Depending on the values of the polyno-
mial coefficients, the viscosity may decrease as the shear rate approaches zero, which does not reflect
physical behavior. Moreover, for high shear rates, the slope of the curve may be less than –1, which
is also not physical. When you are using the log-log law, you must therefore ensure that the range
of shear rates in your application lies within the range of physically acceptable shear rates for the
law. This is accomplished by careful specification of the polynomial coefficients.

Important:

Note that, for non-isothermal flows using the log-log law, the mixed-dependence law
(described in Mixed-Dependence Law (p. 97)) must be used for the thermal dependence
of the viscosity.

6.2.2.11. Carreau-Yasuda Law

The Carreau-Yasuda law for viscosity is
(6.17)

where = zero-shear-rate viscosity

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 Generalized Newtonian Flow

= infinite-shear-rate viscosity
= natural time (that is, inverse of the shear rate at which the fluid changes from
Newtonian to power-law behavior)
= index that controls the transition from the Newtonian plateau to the power-law
region
= power-law index

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
fac 1 –1 –1
facinf 1 –1 –1
tnat 1
expo – – –
expoa – – –

By default, , , and are equal to 1, and and are equal to 0. Figure 6.13: Carreau-Yasuda
Law for Viscosity (p. 85) shows a plot of for the Carreau-Yasuda law.

Figure 6.13: Carreau-Yasuda Law for Viscosity

The Carreau-Yasuda law is a slight variation on the Bird-Carreau law (Equation 6.8 (p. 75)). The ad-
dition of the exponent allows for control of the transition from the Newtonian plateau to the
power-law region. A low value ( < 1) lengthens the transition, and a high value ( >1) results in
an abrupt transition.

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Material Data Parameters

6.2.3. Temperature Dependence of Viscosity

As discussed in Introduction (p. 74), the general form for the viscosity can be written as the product
of functions of shear rate and temperature. There are actually three ways in which this relationship
can be expressed:
(6.18)

(6.19)

(6.20)

where and represent the shear-rate and temperature dependence of the viscosity, re-
spectively.

In Equation 6.18 (p. 86), the temperature scales the viscosity so there is only a vertical shift on the
model curves vs. temperature. Four of the temperature-dependent viscosity laws follow this
format:

• Arrhenius approximate law

• Arrhenius law

• Fulcher law

• WLF law

In Equation 6.19 (p. 86), the time-temperature equivalence is introduced by also scaling the shear
rate by temperature. Therefore, there is a horizontal shift in addition to the vertical shift on the
model curves vs. temperature. Three of the temperature-dependent viscosity laws follow this
format:

• Arrhenius approximate shear-stress law

• Arrhenius shear-stress law

• WLF shear-stress law

The final form of the viscosity definition, Equation 6.20 (p. 86), corresponds to the mixed-dependence
law.

By default, there is no temperature dependence of the viscosity (that is, ).

6.2.3.1. Arrhenius Law

The Arrhenius law is given as
(6.21)

where is the ratio of the activation energy to the perfect gas constant and is a reference
temperature for which . The temperature shift must be specified when a non-absolute

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 Generalized Newtonian Flow

temperature scale is used. It corresponds to the lowest temperature that is thermodynamically ac-
ceptable, given with respect to the current temperature scale. Typically, if you use Kelvin as the
temperature unit, . If you use Celsius, .

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time Temperature

Polymat
alfa – – – 1
talfa – – – 1
t0 – – – 1

Important:

Note that for the Arrhenius model is not the same as for the approximate Arrhenius
law; they have different units.

By default, , , and are equal to 0. Figure 6.14: Arrhenius Law for Viscosity (p. 87) shows a
plot of for the Arrhenius law.

Figure 6.14: Arrhenius Law for Viscosity

6.2.3.2. Approximate Arrhenius Law

The approximate Arrhenius law is obtained as the first-order Taylor expansion of the Arrhenius law
(Equation 6.21 (p. 86)):
(6.22)

where is the first-order coefficient of the Taylor expansion and is a reference temperature.
The behavior described by Equation 6.22 (p. 87) is similar to that described by Equation 6.21 (p. 86)
in the neighborhood of . Equation 6.22 (p. 87) is valid as long as the temperature difference
is not too large.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

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Material Data Parameters

Parameter Name in Ansys Mass Length Time Temperature

Polymat
alfa – – – –1
talfa – – – 1

Important:

Note that for the approximate Arrhenius model is not the same as for the Arrhenius
law; they have different units.

By default, and are equal to 0. Figure 6.15: Approximate Arrhenius Law for Viscosity (p. 88)
shows a plot of ( ) for the approximate Arrhenius law.

Figure 6.15: Approximate Arrhenius Law for Viscosity

6.2.3.3. Arrhenius Shear-Stress Law

The Arrhenius shear-stress law is defined by the same equation as the Arrhenius law (Equa-
tion 6.21 (p. 86)), but differs in that a time-temperature equivalence has been introduced, as indicated
by Equation 6.19 (p. 86). When the temperature increases, the viscosity curve shifts downward and
to the right. Figure 6.16: Arrhenius Shear-Stress Law for Viscosity (p. 89) demonstrates this by
showing the Bird- Carreau viscosity curve at several temperatures using the Arrhenius shear-stress
law for temperature dependence.

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 Generalized Newtonian Flow

Figure 6.16: Arrhenius Shear-Stress Law for Viscosity

The units, default values, and names for the parameters in the Ansys Polymat interface are the same
as for the Arrhenius law, described above.

6.2.3.4. Approximate Arrhenius Shear-Stress Law

The approximate Arrhenius shear-stress law is defined by the same equation as the approximate
Arrhenius law (Equation 6.22 (p. 87)), but differs in that a time-temperature equivalence has been
introduced, as indicated by Equation 6.19 (p. 86). When the temperature increases, the viscosity
curve shifts downward and to the right. Figure 6.17: Approximate Arrhenius Shear-Stress Law for
Viscosity (p. 90) demonstrates this by showing the Bird-Carreau viscosity curve at several temper-
atures using the approximate Arrhenius shear-stress law for temperature dependence.

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Material Data Parameters

Figure 6.17: Approximate Arrhenius Shear-Stress Law for Viscosity

The units, default values, and names for the parameters in the Ansys Polymat interface are the same
as for the approximate Arrhenius law, described above.

6.2.3.5. Fulcher Law

Another definition for comes from the Fulcher law [5] (p. 237):
(6.23)

where , , and are the Fulcher constants. The Fulcher law is used mainly for glass.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time Temperature

Polymat
F1 – – – –

F2 – – – 1

F3 – – – 1

By default, , , and are equal to 0. Figure 6.18: Effect of Increasing f1 on the Fulcher Law for
Viscosity (p. 91) how the impact of each parameter on the viscosity curves. The viscosity drops if
increases, and increases if increases. For , the behavior is more complex: if is below the

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 Generalized Newtonian Flow

fixed temperature, the viscosity increases with an increase in ; if is greater than the fixed
temperature, the viscosity decreases with an increase in .

Figure 6.18: Effect of Increasing f1 on the Fulcher Law for Viscosity

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Material Data Parameters

Figure 6.19: Effect of Increasing f2 on the Fulcher Law for Viscosity

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 Generalized Newtonian Flow

Figure 6.20: Effect of Increasing f3 (Less Than Fixed Temperature) on the Fulcher Law for
Viscosity

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Material Data Parameters

Figure 6.21: Effect of Increasing f3 (Greater Than Fixed Temperature) on the Fulcher Law for
Viscosity

6.2.3.6. WLF Law

The Williams-Landel-Ferry (WLF) equation is a temperature-dependent viscosity law that fits exper-
imental data better than the Arrhenius law for a wide range of temperatures, especially close to
the glass transition temperature:

(6.24)

where and are the WLF constants, and and are reference temperatures.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time Temperature

Polymat
c1 – – – –1
c2 – – – 1
Ta – – – 1
Tr-Ta – – – 1

Figure 6.22: Effect of Increasing c2 on the WLF Law for Viscosity (p. 95) and Figure 6.23: Effect of
Increasing c1 or Ta on the WLF Law for Viscosity (p. 95) show the impact of each parameter on the
viscosity curves. The viscosity drops if increases; the opposite occurs if , , or increases.

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 Generalized Newtonian Flow

Figure 6.22: Effect of Increasing c2 on the WLF Law for Viscosity

Figure 6.23: Effect of Increasing c1 or Ta on the WLF Law for Viscosity

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Material Data Parameters

6.2.3.7. WLF Shear-Stress Law

The WLF law described above is based on shear rate. As for the Arrhenius law, there is also a version
of the WLF law based on shear stress. In this version, the viscosity is computed from Equa-
tion 6.19 (p. 86), with computed from the WLF law, Equation 6.24 (p. 94). As for the Arrhenius
shear-stress law, an increase in temperature will result in a shifting of the viscosity curve downward
and to the right. This is illustrated in Figure 6.24: WLF Law for Viscosity (p. 96) and Figure 6.25: WLF
Shear-Stress Law for Viscosity (p. 97).

Figure 6.24: WLF Law for Viscosity

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 Generalized Newtonian Flow

Figure 6.25: WLF Shear-Stress Law for Viscosity

The units, default values, and names for the parameters in the Ansys Polymat interface are the same
as for the WLF law, described above.

6.2.3.8. Mixed-Dependence Law

For the mixed-dependence law (which can be used only in conjunction with the log-log law for
shear-rate dependence, described in Log-Log Law (p. 83)), the function η is written in the form of
Equation 6.20 (p. 86), where is computed from the log-log law (Equation 6.16 (p. 83)) and
(6.25)

In this equation, , , and are the coefficients of the polynomial expression, and is the
temperature shift; it must be specified when a non-absolute temperature scale is used. It corresponds
to the lowest temperature that is thermodynamically acceptable, given with respect to the current
temperature scale. Typically, if the units for temperature are Kelvin, will be 0; if the units for
temperature are Celsius, will be –273.15.

The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time Temperature

Polymat
a2 – – – –1
a22 – – – –2
a12 – – – –1

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Material Data Parameters

Parameter Name in Ansys Mass Length Time Temperature

Polymat
T0 – – – 1

By default, , , and are equal to 0. Figure 6.26: Effect of Increasing a2 or a22 on the Mixed-
Dependence Law for Viscosity (p. 98) and Figure 6.27: Effect of Increasing a12 on the Mixed-Depend-
ence Law for Viscosity (p. 99) show the impact of each parameter on the viscosity curves. The vis-
cosity increases when either or increases. For , there is a rotation of the viscosity curves
around a point when the value is changed.

Figure 6.26: Effect of Increasing a2 or a22 on the Mixed-Dependence Law for Viscosity

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 Differential Viscoelastic Flow

Figure 6.27: Effect of Increasing a12 on the Mixed-Dependence Law for Viscosity

Depending on the values of the parameters, there may be a decrease in viscosity when the shear
rate approaches zero (as shown in Figure 6.27: Effect of Increasing a12 on the Mixed-Dependence
Law for Viscosity (p. 99)). This does not reflect physical behavior. Moreover, for high shear rates,
the slope of the curve may be less than –1, which is also not physical. For the mixed-dependence
law to be valid, the range of useful shear rates must lie between these two intervals.

6.3. Differential Viscoelastic Flow

This section describes the following topics:
6.3.1. Introduction
6.3.2. Differential Viscoelastic Models
6.3.3.Temperature Dependence of Viscosity
6.3.4. Multiple Relaxation Times for Differential Viscoelastic Flows

6.3.1. Introduction
The differential approach to modeling viscoelastic flow is appropriate for most practical applications.
Many of the most common numerical models for viscoelastic flow are provided in Ansys Polymat,
including Maxwell, Oldroyd, Phan-Thien-Tanner, Giesekus, FENE-P, POM-POM, and Leonov. Appropriate
choices for the viscoelastic model and related parameters can yield qualitatively and quantitatively
accurate representations of viscoelastic behavior.

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Material Data Parameters

Improved accuracy is possible if you use multiple relaxation times to better fit the viscoelastic beha-
vior at different shear rates. If required, you can even use different viscoelastic models for the different
relaxation times, although this has a very limited physical basis.

Note:

While differential viscoelastic models are compatible with 2D and 3D models, they
are not compatible with the shell model.

6.3.1.1. Equations
For a differential viscoelastic flow, the constitutive equation for the extra-stress tensor is
(6.26)

(the viscoelastic component) is computed differently for each type of viscoelastic model. (the
purely viscous component) is an optional component, which is always computed from
(6.27)

where is the rate-of-deformation tensor and is the viscosity factor for the Newtonian (that is,
purely viscous) component of the extra-stress tensor. The viscosity ratio is defined as . The
relationship of and to is expressed by
(6.28)

and
(6.29)

When a multi-mode viscoelastic model is used, the purely viscous component of the extra-stress
tensor is defined through the first mode only.

6.3.1.2. Inputs
To specify the viscosity model for a differential viscoelastic flow, you will click the Differential vis-
coelastic models menu item in the Material Data menu

Differential viscoelastic models

and then choose 1-st viscoelastic model.

1-st viscoelastic model

If you want to specify different parameters for different relaxation times, click Addition of a vis-
coelastic model.

To specify the temperature dependence of viscosity for a differential viscoelastic flow, you will click
the Temperature dependence of viscosity menu item.

Temperature dependence of viscosity

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 Differential Viscoelastic Flow

See Non-Automatic Fitting (p. 57) and Automatic Fitting (p. 62) for information about where and
how the material data specification occurs in the non-automatic and automatic fitting procedures,
respectively.

See Differential Viscoelastic Models (p. 101) and Temperature Dependence of Viscosity (p. 142) for
details about the parameters and characteristics of each fluid model.

6.3.2. Differential Viscoelastic Models

There are currently nine differential viscosity models:

• Upper-convected Maxwell and Oldroyd-B models: These are the simplest viscoelastic constitutive
equations, although in many situations they are the most numerically cumbersome for Ansys
Polyflow. Both models exhibit a constant viscosity and a quadratic first normal-stress difference.
They should be selected either when very little information is know about the fluid, or when a
qualitative prediction is sufficient. For fluids exhibiting a very high extensional viscosity, the Oldroyd-
B model is preferred over the upper-convected Maxwell model.

• White-Metzner model: Most fluids are characterized by shear thinning and a non-quadratic first
normal-stress difference. With the White-Metzner model, it is possible to reproduce such viscometric
features. Several functions for the shear-rate dependence of the viscosity and the relaxation time
are available.

When experimental data are available for the shear viscosity and the first normal-stress difference,
the material parameters for the White-Metzner model can be obtained easily by curve fitting: first
the shear viscosity is defined and fitted, and then the function for the relaxation time can be selected
and fitted on the basis of the first normal-stress difference in a simple shear flow.

Despite its interesting features from a viscometric point of view, the White-Metzner model may
exhibit strange numerical behavior at high shear rates, leading to spurious oscillations in the Ansys
Polyflow solution.

• Phan-Thien-Tanner (PTT), Johnson-Segalman, and Giesekus models: These models are the most
realistic. In particular, they exhibit shear thinning and a non-quadratic first normal-stress difference
at high shear rates. These properties are controlled by their respective material parameters ( , ,
and ), as described in the model description below. Also, the selection of nonzero values for
and will lead to a bounded steady extensional viscosity.

For stability reasons, however, a purely viscous component must be added to the extra-stress tensor
in simple shear flow. This is true for the Johnson-Segalman and PTT models when is nonzero,
and for the Giesekus model when >0.5. The addition of a purely viscous component to the extra-
stress tensor affects the viscosity, but not the first normal-stress difference. Shear thinning is still
present, but the viscosity curve also shows a plateau zone at high shear rates.

Poor control of the shear viscosity is the usual drawback of the Johnson-Segalman and PTT models
used with a single relaxation time, especially toward high shear rates.

Important:

Note that you cannot explicitly select the Johnson-Segalman model in the Ansys Poly-
mat interface. It is obtained by selecting the PTT model and setting the value of to 0.

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Material Data Parameters

• FENE-P (Finitely Extensible Non-Linear Elastic Dumbbells – Peterlin) model: This model is derived
from molecular theories and is based on the assumption that the material behaves as a series of
dumbbells linked together by springs. Unlike the Maxwell model, springs can have only a finite
extension, so the energy of deformation of the dumbbell becomes infinite for a finite value of the
spring elongation.

The FENE-P model requires only four parameters ( , , , and the length ratio for the spring), yet
it predicts a realistic shear thinning of the fluid and a first normal-stress difference that is quadratic
for low shear rates and has a lower slope for high shear rates. It has been observed in practice that
viscometric properties of several fluids can often be accurately modeled. The FENE-P model is well
suited for simulating the rheological behavior of dilute solutions.

• POM-POM model: The pom-pom molecule consists of a backbone to which arms are connected
at both extremities. In a flow, the backbone may orient in a Doi-Edwards reptation tube consisting
of the neighboring molecules, while the arms may retract into that tube. The concept of the pom-
pom macromolecule makes the model suitable for describing the behavior of branched polymers.
The approximate differential form of the model is based on the equations of macromolecular ori-
entation and macromolecular stretching in connection with changes in orientation. In this construc-
tion, the pom-pom molecule is allowed only a finite extension, which is controlled by the number
of dangling arms. In particular, the strain hardening properties are dictated by the number of arms.
Beyond that, the model predicts realistic shear thinning behavior, as well as a first and a possible
second normal stress difference.

• Leonov model: This model has been developed for the simultaneous prediction of the behavior of
trapped and free macromolecular chains for filled elastomers with carbon black and/or silicate.
From the point of view of morphology, macromolecules at rest are trapped by particles of carbon
black, via electrostatic van der Waals forces. Under a deformation field, electrostatic bonds can
break, and macromolecules become free, while a reverse mechanism may develop when the de-
formation ceases. You can therefore be facing a macromolecular system consisting of trapped and
free macromolecules, with a reversible transition from one state to the other one.

This model involves actually two tensor quantities and a scalar one. The tensors focus respectively
on the behavior of the free and trapped macromolecular chains of the elastomer, while the scalar
quantity quantifies the degree of structural damage (debonding factor). The model exhibits a
yielding behavior. It is intrinsically nonlinear, as the nonlinear response develops and is observable
at early deformations.

Details about each model are provided below.

6.3.2.1. Upper-Convected Maxwell Model

The Maxwell model is one of the simplest viscoelastic constitutive equations. It exhibits a constant
viscosity and a quadratic first normal-stress difference. Due to its simplicity, it is recommended only
when little information about the fluid is available, or when a qualitative prediction is sufficient.
Even in this case, the Oldroyd-B model, which can include a purely viscous component, is preferable
for numerical reasons.

6.3.2.1.1. Equations
For the upper-convected Maxwell model, the purely viscous component of the extra-stress tensor
( ) is equal to zero. The viscoelastic component ( ) is computed from

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 Differential Viscoelastic Flow

(6.30)

where is a model-specific relaxation time, is the rate-of-deformation tensor, and is a

model-specific viscosity factor for the viscoelastic component of . The relaxation time is defined
as the time required for the shear stress to be reduced to half of its original equilibrium value
when the strain rate vanishes. A high relaxation time indicates that the memory retention of the
flow is high. A low relaxation time indicates significant memory loss, gradually approaching
Newtonian flow (zero relaxation time).

6.3.2.1.2. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
visc 1 –1 –1
trelax – – 1
– 1 –1 –2
– – – –1

By default, and are equal to 1.

6.3.2.1.3. Behavior Analysis

Figure 6.28: Upper-Convected Maxwell Model for a Shear Flow (p. 104) shows the viscometric
functions of the upper-convected Maxwell model in a simple shear flow. In this example (where
=1 s and =1000 Pa-s), is constant, is linear, is quadratic, is zero, is constant,
is zero, and is linear, showing non-asymptotic behavior.

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Material Data Parameters

Figure 6.28: Upper-Convected Maxwell Model for a Shear Flow

Figure 6.29: Upper-Convected Maxwell Model for an Extensional Flow (p. 105) shows the behavior
of the upper-convected Maxwell model in a simple extensional flow.

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 Differential Viscoelastic Flow

Figure 6.29: Upper-Convected Maxwell Model for an Extensional Flow

In this example (where =1 s and =1000 Pa-s), , , and are unbounded for ,
and
(6.31)
(6.32)
(6.33)
(6.34)

Figure 6.30: Upper-Convected Maxwell Model for a Transient Shear Flow (p. 106) shows the beha-
vior of the upper-convected Maxwell model in a transient shear flow.

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Material Data Parameters

Figure 6.30: Upper-Convected Maxwell Model for a Transient Shear Flow

In this example (where =1 s, =1000 Pa-s, and s-1), there is no stress overshoot and the
transient phase depends upon the relaxation time.

6.3.2.2. Oldroyd-B Model

The Oldroyd-B model is, like the Maxwell model, one of the simplest viscoelastic constitutive
equations. It is slightly better than the Maxwell model, because it allows for the inclusion of the
purely viscous component of the extra stress, which leads to better behavior of the numerical
scheme. Oldroyd-B is a good choice for fluids that exhibit a very high extensional viscosity.

6.3.2.2.1. Equations
For the Oldroyd-B model, is computed from Equation 6.30 (p. 103), and is computed (op-
tionally) from Equation 6.27 (p. 100). in Equation 6.30 (p. 103), and in Equation 6.27 (p. 100)
are partial shear viscosities. Ansys Polymat uses Equation 6.28 (p. 100) and Equation 6.29 (p. 100)
to compute the value of , based on a specified value for the viscosity ratio, .

6.3.2.2.2. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

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 Differential Viscoelastic Flow

Parameter Name in Ansys Mass Length Time

Polymat
visc 1 –1 –1
trelax – – 1
ratio – – –
– 1 –1 –2
– – – –1

By default, and are equal to 1, and the viscosity ratio is equal to 0 (that is, and are
equal to 0).

6.3.2.2.3. Behavior Analysis

Figure 6.31: Oldroyd-B Model for a Shear Flow (p. 107) shows the viscometric functions of the
Oldroyd-B model in a simple shear flow. In this example, =1 s and (with the viscosity ratio equal
to 0.15) =850 Pa-s and =150 Pa-s. In the resulting curves, is constant, is linear, is
quadratic, is zero, is constant, is zero, and is linear, showing non-asymptotic beha-
vior. Notice that the curves are moved down in comparison to the upper-convected Maxwell
model; this is due to the Newtonian part of the model (nonzero value for ), which reduces the
viscoelastic effects ( , , , and ).

Figure 6.31: Oldroyd-B Model for a Shear Flow

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Material Data Parameters

Figure 6.32: Oldroyd-B Model for a Transient Shear Flow (p. 108) shows the behavior of the Oldroyd-
B model in a transient shear flow. In this example, =1 s, =1000 Pa-s, and s–1. Notice that
there is an instantaneous response of the shear stress to the applied shear rate; this is due to the
Newtonian part of the model. Otherwise, the Oldroyd-B model exhibits the same behavior as the
upper-convected Maxwell model.

Figure 6.32: Oldroyd-B Model for a Transient Shear Flow

6.3.2.3. White-Metzner Model

Most fluids are characterized by shear-thinning and non-quadratic first normal-stress difference.
With the White-Metzner model, it is possible to reproduce such viscometric features.

6.3.2.3.1. Equations
The White-Metzner model computes from
(6.35)

and is computed (optionally) from Equation 6.27 (p. 100). in Equation 6.35 (p. 108) and in
Equation 6.27 (p. 100) are partial shear viscosities.

The relaxation time ( ) and the viscosity ( ) can be constant or represented by the power law or
the Bird-Carreau law for shear-rate dependence.

The power-law representation of the total viscosity is

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 Differential Viscoelastic Flow

(6.36)

where is the consistency factor, is the power-law index, and is the natural time (that is,
inverse of the shear rate at which the fluid changes from Newtonian to power-law behavior).

The Bird-Carreau representation of the viscosity is

(6.37)

where is the natural time and is the power-law index.

and are then computed from Equation 6.28 (p. 100) and Equation 6.29 (p. 100), based on a
specified value for the viscosity ratio, .

The power-law representation of the relaxation time is

(6.38)

The Bird-Carreau representation of the relaxation time is

(6.39)

Important:

Note that the power-law representation for the relaxation time should be avoided,
since it leads to high relaxation times for low shear rates. The Bird-Carreau represent-
ation is better, yielding a constant (and bounded) relaxation time at low shear rates.

6.3.2.3.2. Guidelines for Fitting

If you are fitting experimental curves using the White-Metzner model, you will need to do the
fitting in two parts:

1. Choose the viscosity function and fit its parameters. See Shear-Rate Dependence of Viscos-
ity (p. 74) for information about the parameters for the function you choose (constant, Bird-
Carreau, or power law).

2. Choose the relaxation time function and fit its parameters to the experimental curve for the
first normal-stress difference. See Shear-Rate Dependence of Viscosity (p. 74) for information
about the parameters for the function you choose (constant, Bird-Carreau, or power law).
Note that the relaxation time function has no effect on the steady viscosity curves.

6.3.2.3.3. Inputs
The units for the White-Metzner parameters and their names in the Ansys Polymat interface are
as follows:

Parameter Name in Ansys Polymat Mass Length Time

viscosity function 1 –1 –1
relaxation time function – – 1

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Material Data Parameters

Parameter Name in Ansys Polymat Mass Length Time

ratio – – –
– 1 –1 –2
– – – –1

By default, and are constant values equal to 1, and the viscosity ratio is equal to 0 (that
is, and are equal to 0).

6.3.2.3.4. Behavior Analysis

Figure 6.33: White-Metzner Model for a Shear Flow (p. 111) compares the White-Metzner model
to the upper-convected Maxwell model for a simple shear flow. In this example, the Bird-Carreau
viscosity law is used, with =1000 Pa-s, =10 s, and =0.5. The relaxation time is 1 s. Notice
that and are non-constant for large shear rates, is nonlinear, is non-quadratic for
large shear rates, and and are equal to 0.

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 Differential Viscoelastic Flow

Figure 6.33: White-Metzner Model for a Shear Flow

In transient shear flow, the White-Metzner model is similar in behavior to the upper-convected
Maxwell model. The shape of the curves is the same, but the duration of the transient phase
depends on the relaxation time function. If this function is constant, the duration to reach the
regime situation is the same; if it is not constant, the duration of the transient phase depends
upon the relaxation time function. Usually, the relaxation time is a decreasing function of the
shear rate, so the duration of the transient phase is reduced for high shear rate.

Figure 6.34: White-Metzner Model for a Transient Shear Flow with Constant Relaxation Time (p. 112)
shows the viscometric curves for a constant relaxation time and Figure 6.35: White-Metzner
Model for a Transient Shear Flow with a Bird-Carreau Relaxation Time (p. 113) shows the curves

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Material Data Parameters

for a shear-rate-dependent relaxation time. In Figure 6.34: White-Metzner Model for a Transient
Shear Flow with Constant Relaxation Time (p. 112), the shear thinning affects the final value of
the viscosity and the first normal-stress coefficient. The transient phase is not affected by the
shear rate. In Figure 6.35: White-Metzner Model for a Transient Shear Flow with a Bird-Carreau
Relaxation Time (p. 113), there is no shear thinning, so there is no effect on the final value of the
viscosity. The first normal stress coefficient is affected by the variation of relaxation time with
shear rate. The transient phase is affected by the shear rate.

Figure 6.34: White-Metzner Model for a Transient Shear Flow with Constant Relaxation Time

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 Differential Viscoelastic Flow

Figure 6.35: White-Metzner Model for a Transient Shear Flow with a Bird-Carreau Relaxation
Time

6.3.2.4. Phan-Thien-Tanner Model

The Phan-Thien-Tanner (PTT) model is one of the most realistic differential viscoelastic models. It
exhibits shear thinning and a non-quadratic first normal-stress difference at high shear rates.

6.3.2.4.1. Equations
The PTT model computes from

(6.40)

and is computed (optionally) from Equation 6.27 (p. 100). in Equation 6.40 (p. 113) and in
Equation 6.27 (p. 100) are partial shear viscosities. Ansys Polymat uses Equation 6.28 (p. 100) and
Equation 6.29 (p. 100) to compute the value of , based on a specified value for the viscosity ratio,
.

and are material properties that control, respectively, the shear viscosity and elongational
behavior. A nonzero value for leads to a bounded steady extensional viscosity.

6.3.2.4.2. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

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Material Data Parameters

Parameter Name in Ansys Mass Length Time

Polymat
visc 1 –1 –1
trelax – – 1
ratio – – –
eps – – –
xi – – –
– 1 –1 –2
– – – –1

By default, and are equal to 1, the viscosity ratio is equal to 0 (that is, and are equal
to 0), and and are also equal to 0. Note that when =0, the PTT model is reduced to the
Johnson-Segalman model.

6.3.2.4.3. Behavior Analysis

In a simple shear flow (Figure 6.36: PTT Model for a Shear Flow (p. 115)), for >0, you can see a
shear-thinning effect and a non-quadratic behavior for the first normal-stress difference . Notice
also that, for >0, the elasticity level remains finite for increasing shear rate (asymptotic beha-
vior).

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 Differential Viscoelastic Flow

Figure 6.36: PTT Model for a Shear Flow

The parameter also affects the extensional viscosities, as shown in Figure 6.37: PTT Model for
a Steady Extensional Flow (p. 116). The steady extensional viscosities are finite, and tend toward
the Newtonian component of the extensional viscosity (that is, they are uniaxial) for large extension
rates. For small values of , there is extension thickening and thinning; for large values, there is
only extension thinning.

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Material Data Parameters

Figure 6.37: PTT Model for a Steady Extensional Flow

Important:

If the parameter is not zero, then the viscosity ratio must be at least 1/9, in order
to ensure the stability of the shear flow. However, this value may decrease when
does not vanish. The slope of the shear stress vs. shear rate curve must be positive
everywhere, contrary to what is shown on the left in Figure 6.38: Effect of ξ on the PTT
Model for a Shear Flow (p. 117) with =0.1.

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 Differential Viscoelastic Flow

Figure 6.38: Effect of ξ on the PTT Model for a Shear Flow

The parameter has almost no effect on extensional viscosity, as shown in Figure 6.39: Effect of
ξ on the PTT Model for a Steady Extensional Flow (p. 118). The maximum of the extensional vis-
cosities decreases when increases.

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Material Data Parameters

Figure 6.39: Effect of ξ on the PTT Model for a Steady Extensional Flow

In a transient shear flow (Figure 6.40: PTT Model in a Transient Shear Flow (p. 119)), a moderate
stress overshoot is observed. The stress overshoot increases as shear rate increases. Shear thinning
is observed, and the normal stress is non-quadratic. The transient phase is reduced as the shear
rate increases.

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 Differential Viscoelastic Flow

Figure 6.40: PTT Model in a Transient Shear Flow

6.3.2.5. Giesekus Model

Like the PTT model, the Giesekus model is one of the most realistic differential viscoelastic models.
It exhibits shear thinning and a non-quadratic first normal-stress difference at high shear rates.

6.3.2.5.1. Equations
The Giesekus model computes from

(6.41)

and is computed (optionally) from Equation 6.27 (p. 100). in Equation 6.41 (p. 119) and in
Equation 6.27 (p. 100) are partial shear viscosities. Ansys Polymat uses Equation 6.28 (p. 100) and
Equation 6.29 (p. 100) to compute the value of , based on a specified value for the viscosity ratio,
.

is the unit tensor and is a material constant that controls the extensional viscosity and the
ratio of the second normal-stress difference to the first. For low values of shear rate,
(6.42)

For the majority of fluids, this ratio is between 0.1 and 0.2.

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Material Data Parameters

6.3.2.5.2. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
visc 1 –1 –1
trelax – – 1
ratio – – –
alfa – – –
– 1 –1 –2
– – – –1

By default, and are equal to 1, the viscosity ratio is equal to 0 (that is, and are equal
to 0), and is also equal to 0.

6.3.2.5.3. Behavior Analysis

In a simple shear flow (Figure 6.41: Giesekus Model for a Shear Flow (p. 121)), controls the shear-
thinning effect. The first normal-stress difference is non-quadratic, and the cut-off appears earlier
if increases. If >0.5, you must add a Newtonian component ( ) to the total viscosity in order
to avoid instabilities.

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 Differential Viscoelastic Flow

Figure 6.41: Giesekus Model for a Shear Flow

Figure 6.42: Effect of α on the Giesekus Model for an Extensional Flow (p. 122) shows the behavior
of the Giesekus fluid in an extensional flow.

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Material Data Parameters

Figure 6.42: Effect of α on the Giesekus Model for an Extensional Flow

Here, the steady extensional viscosities are finite. For small values of extension thickening occurs,
and for large values extension thinning occurs.

In a transient shear flow (Figure 6.43: Giesekus Model for a Transient Shear Flow (p. 123)), the stress
overshoot is less severe than for the PTT model; there are fewer oscillations.

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 Differential Viscoelastic Flow

Figure 6.43: Giesekus Model for a Transient Shear Flow

The duration of the transient phase depends on the imposed shear rate (the same behavior as
for the PTT model). For a high shear rate, the stress overshoots during the transient phase. As
the shear rate increases, the final value decreases as the overshoot increases. The duration of the
transient phases decreases as the shear rate increases.

6.3.2.6. FENE-P Model

The FENE-P model is derived from molecular theories and is based on the assumption that the
polymer macromolecules are idealized as dumbbells linked with an elastic connector or spring and
suspended in a Newtonian solvent of viscosity . Unlike in the Maxwell model, however, the springs
are allowed only a finite extension, so that the energy of deformation of the dumbbell becomes
infinite for a finite value of the spring elongation. This model predicts a realistic shear thinning of
the fluid and a first normal-stress difference that is quadratic for low shear rates and has a lower
slope for high shear rates.

6.3.2.6.1. Equations
The FENE-P model computes from

(6.43)

where is computed from

(6.44)

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Material Data Parameters

and is the ratio of the maximum length of the spring to its length at rest:

(6.45)

is an equilibrium length that corresponds to rigid motion (in this case, =0 and the tension
in the connector equals the Brownian forces). is the maximum allowable dumbbell length.
Figure 6.44: Dumbbell Definitions for the FENE-P Model (p. 124) shows how the distance between
dumbbells is based on the relative position of both ends.

Figure 6.44: Dumbbell Definitions for the FENE-P Model

is always greater than 1. As becomes infinite, the FENE-P model reduces to the upper-con-
vected Maxwell model.

is computed (optionally) from Equation 6.27 (p. 100). in Equation 6.43 (p. 123) and in
Equation 6.27 (p. 100) are partial shear viscosities. Ansys Polymat uses Equation 6.28 (p. 100) and
Equation 6.29 (p. 100) to compute the value of , based on a specified value for the viscosity ratio,
.

The motion of the dumbbells is the result of hydrodynamic, Brownian, and spring forces.
represents the tension in the spring (spring forces) and the Brownian motion. represents the
Newtonian (hydrodynamic) forces.

See [1] (p. 237) for additional information about the FENE-P model. Note that the FENE-P model
is not available for non-isothermal flows.

6.3.2.6.2. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Mass Length Time

Polymat
visc 1 –1 –1
trelax – – 1

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 Differential Viscoelastic Flow

Parameter Name in Ansys Mass Length Time

Polymat
ratio – – –
Lsqrd – 2 –
– 1 –1 –2
– – – –1

By default, , , and are equal to 1, and the viscosity ratio is equal to 0 (that is, and
are equal to 0).

6.3.2.6.3. Behavior Analysis

The behavior of the FENE-P model with small values of for a simple shear flow is illustrated in
Figure 6.45: Effect of Small Values of L^2 on the FENE-P Model for Shear Flow (p. 126). Shear
thinning occurs with this model, and for large values of shear rate, the slope is –2/3. Therefore
the addition of a Newtonian viscosity component is not required for stability. The first normal-
stress difference is non-quadratic, and the second normal-stress difference is 0. The cut-off appears
sooner when decreases, down to a value of 3. No asymptotic behavior is observed. For low
values of shear rate, decreases as decreases.

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Material Data Parameters

Figure 6.45: Effect of Small Values of L^2 on the FENE-P Model for Shear Flow

The behavior of the FENE-P model with large values of for a simple shear flow is illustrated in
Figure 6.46: Effect of Large Values of L^2 on the FENE-P Model for Shear Flow (p. 127).

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 Differential Viscoelastic Flow

Figure 6.46: Effect of Large Values of L^2 on the FENE-P Model for Shear Flow

For large values of , the FENE-P model is observed to exhibit Maxwellian behavior: quadratic
first normal-stress difference and close to . For close to 1, Newtonian behavior is observed:
quadratic but small first normal-stress difference, tends toward 0, cut-off occurs at high shear
rates. For low shear rates,
(6.46)

For extensional flows, controls the extensional viscosity. As shown in Figure 6.47: Effect of L^2
on the FENE-P Model for Extensional Flow (p. 128), the extensional viscosities are finite. For large
values of , the FENE-P model is observed to exhibit Maxwellian behavior: the extensional vis-
cosities are very high for . For close to 1, Newtonian behavior is observed: the exten-
sional viscosities are constant.

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Material Data Parameters

Figure 6.47: Effect of L^2 on the FENE-P Model for Extensional Flow

The behavior of the FENE-P model for a transient shear flow is shown in Figure 6.48: Effect of
Large Values of L^2 on the FENE-P Model for Transient Shear Flow (p. 129) and Figure 6.49: Effect
of Mid-Range Values of L^2 on the FENE-P Model for Transient Shear Flow (p. 130). For high shear
rates, the stress overshoots in the transient phase. When the shear rate increases, the final value
and the transient phase decrease while the overshoot increases. For large values of , the FENE-
P model is observed to exhibit Maxwellian behavior: no stress overshoots. For mid-range values
of , the stress overshoots increase and the transient phase decreases as decreases. For
close to 1, Newtonian behavior is observed: no stress overshoots and a short transient phase
even for high values of shear rate.

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 Differential Viscoelastic Flow

Figure 6.48: Effect of Large Values of L^2 on the FENE-P Model for Transient Shear Flow

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Material Data Parameters

Figure 6.49: Effect of Mid-Range Values of L^2 on the FENE-P Model for Transient Shear
Flow

6.3.2.7. POM-POM Model [DCPP]

In the POM-POM model, the pom-pom molecule consists of a backbone to which arms are con-
nected at both extremities. In a flow, the backbone may orient in a Doi-Edwards reptation tube
consisting of the neighboring molecules, while the arms may retract into that tube. The concept
of the pom-pom macromolecule makes the model suitable for describing the behavior of branched
polymers. The approximate differential form of the model is based on equations of macromolecular
orientation, and macromolecular stretching in relation to changes in orientation.

The model, referred to as DCPP ([2] (p. 237), [8] (p. 237)), allows for a nonzero second normal stress
difference. The DCPP model computes from an orientation tensor, and a stretching scalar
(states variables), on the basis of the following algebraic equation:
(6.47)

where is the shear modulus and is a nonlinear material parameter (the nonlinear material
parameter will be introduced later on). The state variables and are computed from the following
differential equations:
(6.48)

(6.49)

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 Differential Viscoelastic Flow

In these equations, and are the relaxation times associated with the orientation and stretching
mechanisms respectively. In the last equation, characterizes the number of dangling arms (or
priority) at the extremities of the pom-pom molecule or segment. It is an indication of the maximum
stretching that the molecule can undergo, and therefore of a possible strain hardening behavior.
can be obtained from the elongational behavior. is a nonlinear parameter that has enabled the
introduction of a non-vanishing second normal stress difference in the DCPP model.

A multi-mode DCPP model can also be defined. Each contribution will involve an orientation
tensor and a stretching variable . A few guidelines are required for the determination of the
several linear and nonlinear parameters.

Consider a multi-mode DCPP model characterized by modes sorted with increasing values of
relaxation times (increasing seniority). The linear parameters and characterizing the linear
viscoelastic behavior of the model can be determined with the usual procedure.

Then the relaxation times ( ) for stretching should be determined. Depending on the average
number of entanglements of backbone section, the ratio should be within the range of 2 to 10.
For a completely unentangled polymer segment, you may accept the physical limit of = .
should also satisfy the constraint , since sets the fundamental diffusion time for the
branch point controlling the relaxation of polymer segment ( ).

The parameter indicating the number of dangling arms (or priority) at the extremities of a pom-
pom segment , also indicates the maximum stretching that can be undergone by that segment,
and therefore its possible strain hardening behavior. For a multi-mode DCPP model, both seniority
and priority are assumed to increase together towards the inner segments; hence should also
increase with . The parameter can be obtained from the elongational behavior.

is a fifth set of nonlinear parameters that control the ratio of second to first normal stress differ-
ences. The value of parameter should range between 0 and 1. For moderate values, corresponds
to twice the ratio of the second to the first normal stress difference, and may decrease with increasing
seniority.

As for other viscoelastic models, a purely viscous component can be added to the viscoelastic
component , in order to get the total extra-stress tensor:
(6.50)

where
(6.51)

where is the rate-of-deformation tensor and is the viscosity.

6.3.2.7.1. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

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Material Data Parameters

Parameter Name in Ansys Mass Length Time

Polymat
visc2 1 –1 –1
trelax - - 1
G0 1 –1 –2
tlambda - - 1
nbarms - - -
xi - - -

, , - 1 –1 –2

- - - –1
- - - -
- - - -

By default, and are set to 1, the number of arms to 2 and the other parameters to 0.

6.3.2.7.2. Behavior Analysis

Figure 6.50: Effect of Parameter ξ for Steady Shear Flow (p. 133) shows the steady viscometric
behavior of a single mode DCPP fluid model for various values of the parameter . For the present
illustration, the shear modulus equals 1000, while the relaxation times for orientation and
stretching have been assigned the values 1 and 0.5, respectively. As can be seen, constant viscosity
and quadratic first normal stress difference are obtained at low shear rates. Nonlinear behavior
is found beyond . We also find that an increasing value of enforces the nonlinear behavior,
while it also generates a non-vanishing second normal stress difference. The other nonlinear
parameters and have actually a negligible influence on the viscometric properties.

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 Differential Viscoelastic Flow

Figure 6.50: Effect of Parameter ξ for Steady Shear Flow

In Figure 6.51: Effect of Parameter q on Steady Elongation Viscosity (p. 134), we display the steady
elongation viscosity of a single mode DCPP fluid model for increasing values of . For the con-
tinuous curves, the shear modulus equals 1000, while the relaxation times for orientation and
stretching have been assigned the values 1 and 0.5, respectively. Also, the nonlinear parameter
is equal to 0.1. As is known for the DCPP model, and more generally for pom-pom models, the
parameter is an indication of branching, and therefore of strain hardening in elongation. As
can be seen from Figure 6.51: Effect of Parameter q on Steady Elongation Viscosity (p. 134), the
elongation viscosity increases when the strain rate is larger than , and the strain hardening
is enhanced for increasing values of . The figure also shows the steady elongation viscosity ob-
tained for as well as for . As can be seen, the influence of these parameters on the
steady elongation viscosity remains moderate as compared to that of parameter .

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Material Data Parameters

Figure 6.51: Effect of Parameter q on Steady Elongation Viscosity

Finally, Figure 6.52: Effect of Parameter q on Transient Elongation Viscosity for Different Values
of the Elongation Rate (p. 135) shows the transient elongation viscosity of various single-mode
DCPP fluid model characterized by different branching levels ( ), at elongation rates successively
equal to 0.1, 1 and 10. We find that all curves collapse at low strain rate (0.1), while they markedly
differ at high strain rate (10).

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 Differential Viscoelastic Flow

Figure 6.52: Effect of Parameter q on Transient Elongation Viscosity for Different Values of
the Elongation Rate

6.3.2.8. Leonov Model

Elastomers are usually filled with carbon black and/or silicate. From the point of view of morphology,
macromolecules at rest are trapped by particles of carbon black, via electrostatic van der Waals
forces. Under a deformation field, electrostatic bonds can break, and macromolecules become free,
while a reverse mechanism may develop when the deformation ceases. You can therefore be facing
a macromolecular system consisting of trapped and free macromolecules, with a reversible transition
from one state to the other one.

Leonov and Simhambhatla have developed a rheological model ([9] (p. 237), [10] (p. 237), [3] (p. 237))
for the simultaneous prediction of the behavior for trapped and free macromolecular chains. This
model for filled elastomers involves actually two tensor quantities and a scalar one. These tensor
quantities focus respectively on the behavior of the free and trapped macromolecular chains of the
elastomer, while the scalar quantity quantifies the degree of structural damage (debonding factor).
The model exhibits a yielding behavior. It is intrinsically nonlinear, as the nonlinear response develops
and is observable at early deformations.

In a single-mode approach, the total stress tensor can be decomposed as the sum of free and
trapped contributions, as follows:
(6.52)

As for other viscoelastic models, a purely viscous component is added to the viscoelastic com-
ponents in order to get the total extra-stress tensor:

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Material Data Parameters

(6.53)

where is the rate-of-deformation tensor and is the viscosity.

In Equation 6.52 (p. 135), subscripts and respectively refer to the free and trapped parts. Each
of these contributions obeys its own equation. In particular, they invoke their own deformation
field described by means of Finger tensors.

An elastic Finger tensor is defined for the free chains, which obeys the following equation:

(6.54)

where is the relaxation time, is the unit tensor, while and are the first invariant of and
, respectively, defined as
(6.55)
(6.56)

The implemented material function that appears in Equation 6.54 (p. 136) is written as follows:

(6.57)

The parameter must be ; and increases slightly the amount of shear thinning.

Similarly, an elastic Finger tensor is defined for the trapped chains, which obeys the following
equation:
(6.58)

where and are the first invariant of and , respectively, defined as

(6.59)
(6.60)

In the equation for the trapped chains, the variable quantifies the degree of structural damage
(debonding factor), and is the fraction of the initially trapped chains that are debonded from the
filler particles during flow. The function is a structural damage dependent scaling factor for
the relaxation time and is referred to as the “mobility function".

A phenomenological kinetic equation is suggested for :

(6.61)

In Equation 6.61 (p. 136), is the local shear rate while is the yielding strain. Also, is a dimen-
sionless time factor, which may delay or accelerate debonding.

For the mobility function appearing in Equation 6.58 (p. 136), the following form has been
implemented:

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 Differential Viscoelastic Flow

(6.62)

The above selection for the mobility function endows the rheological properties with a yielding
behavior. When is large (or unbounded), the algebraic term dominates the constitutive
equation for (Equation 6.58 (p. 136)), and the solution is expected to be =1. When is
vanishing, becomes governed by a purely transport equation; this may lead to numerical troubles
when solving a complex steady flow with secondary motions (vortices). This situation can occur if
parameter is set to zero and under no-debonding situation ( ). Therefore, we suggest imposing
a small (but nonzero) value for parameter (by default, we suggest the value 0.05, which is a
reasonable compromise between rheological properties and solver stability). Based on this, para-
meter can be understood as the value of the mobility function under no-debonding.

Finally, in order to relate the Finger tensors to the corresponding stress tensor, potential functions
are required. For and , the following expressions are suggested:

(6.63)

(6.64)

with and . It is interesting to note that has no effect on the shear viscosity, while it
contributes to a decrease of the elongational viscosity. On the other hand, the parameter increases
both shear and elongational viscosities. From there, stress contributions from free and trapped
chains in Equation 6.52 (p. 135) are respectively given by:

(6.65)

(6.66)

where parameter is the initial ratio of free to trapped chains in the system. A vanishing value of
indicates that all chains are trapped at rest, while a large value of indicates a system that es-
sentially consists of free chains.

6.3.2.8.1. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Polymat Mass Length Time

visc, additional viscosity 1 –1 –1
trelax, relaxation time - - 1
G, shear modulus 1 –1 –2
alpha, initial ratio of free to trapped chains - - -
beta, coefficient in potential function - - -

n, index in potential function - - -

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Material Data Parameters

Parameter Name in Ansys Polymat Mass Length Time

m, deformation history-dependence - - -
nu, power index in mobility function - - -
k, mobility under no-debonding - - -
q, dimensionless time factor - - -
gamma*, yielding strain - - -

, , , - 1 –1 –2

- - - –1
- - - -

By default, , , , , and are set to 1, and are set to 2, is set to 0.05 and the other
parameters to 0.

6.3.2.8.2. Identification of Model Parameters and Functions

Important:

In the current version of Ansys Polymat, you cannot fit the Leonov model and/or draw
the corresponding rheometric curves in the chart.

From the point of view of rheology and numerical simulation, for single- and multi-mode fluid
models, a purely viscous contribution must be added to the total extra-stress tensor. Actually,
this is largely motivated by the fact that the matrix of the discretized system can be singular
when all fields are initialized to values that correspond to the solution at rest. Hence, the first or
only mode will always be accompanied by a Newtonian contribution, whose corresponding vis-
cosity value received a unit default value. This value can be modified by the user.

Also, as suggested above, a non-vanishing value should be selected for the mobility function
under no-debonding.

As can be seen, next to parameters and controlling the linear properties, the model involves
two functions and several nonlinear parameters. In a single mode approach, the influence of
these parameters on the viscometric and elongational properties can be easily identified, and
appropriate values can be selected accordingly. By default, the nonlinear parameters are assigned
values that are relevant from the point of view of rheology. In a multi-mode approach, in order
to facilitate the definition of a flow case, corresponding nonlinear parameters should preferably
be identical for each mode.

6.3.2.8.3. Behavior Analysis

In simple shear flow, the Leonov model exhibits shear thinning, which is slightly affected by some
parameters. Figure 6.53: Shear Viscosity of the Leonov Model with Parameters G=1000, λ=1, q=1,
β=0, ν=2, γ*=2, and a=1, k=n=m=0 (continuous lines). (p. 139) shows that an increase of the
parameter (initial ratio of free to trapped chains) slightly decreases the shear viscosity at low
shear rates. This can be easily understood if you consider, for example, that when =0, the ma-
terial consists only of trapped chains at rest. The figure also shows that parameter increases

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 Differential Viscoelastic Flow

the shear viscosity at high shear rates, while parameter has a very limited influence. Finally,
as can be seen in Figure 6.53: Shear Viscosity of the Leonov Model with Parameters G=1000, λ=1,
q=1, β=0, ν=2, γ*=2, and a=1, k=n=m=0 (continuous lines). (p. 139), shear viscosity curves do not
show a plateau at low shear rates. This is the fingerprint of the yielding behavior of the fluid
model, which is controlled by the value of the mobility function under no-debonding (parameter
). Actually, if increases, the viscosity curves exhibit a plateau at low shear rates; however, as
can be seen in the insert, this does not affect the behavior at high shear rates, while it may improve
the stability of the solver.

Figure 6.53: Shear Viscosity of the Leonov Model with Parameters G=1000, λ=1, q=1, β=0,
ν=2, γ*=2, and a=1, k=n=m=0 (continuous lines).

Dashed and dashed-dotted lines show the viscosity for the value of the parameters as indicated.
The insert shows the viscosity curves obtained for various values of the mobility function under
no-debonding (parameter k). Note that these curves are not obtained from Ansys Polymat; they
result from semi-analytical calculations.

Figure 6.54: First Normal Stress Difference of the Leonov Model with Parameters G=1000, λ=1,
q=1, β=0, ν=2, γ*=2, and a=1, k=n=m=0 (continuous lines). (p. 140) shows that similar trends are
found for the first normal stress difference. Figure 6.54: First Normal Stress Difference of the Leonov
Model with Parameters G=1000, λ=1, q=1, β=0, ν=2, γ*=2, and a=1, k=n=m=0 (continuous
lines). (p. 140) shows that an increase of the parameter slightly decreases the first normal stress
difference at all shear rates. The figure also shows that parameter increases the first normal
stress difference at all shear rates, while parameter decreases it at high shear rates. Finally, as
can be seen, the first normal stress difference shows a plateau at low shear rates; this is a coun-
terpart of the yielding behavior of the fluid model, which is also controlled by the value of the
mobility function under no-debonding (parameter ). Actually, if increases, the first normal
stress difference exhibit a quadratic behavior at low shear rates; however, as can be seen in the

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Material Data Parameters

insert, this does not affect the behavior at high shear rates, while it may improve the stability of
the solver.

Figure 6.54: First Normal Stress Difference of the Leonov Model with Parameters G=1000,
λ=1, q=1, β=0, ν=2, γ*=2, and a=1, k=n=m=0 (continuous lines).

Dashed, dashed-dotted and dotted lines show the first normal stress difference for the value of
the parameters as indicated. The insert shows the curves of first normal stress difference obtained
for various values of the mobility function under no-debonding (parameter ). Note that these
curves are not obtained from Ansys Polymat; they result from semi-analytical calculations.

In simple elongation flow, the Leonov model exhibits marked strain thinning at low strain rates;
it is slightly affected by some parameters. Figure 6.55: Elongation Viscosity of the Leonov Model
with Parameters G=1000, λ=1, q=1, n=1, ν=2, γ*=2, and a=1, β=k=m=0 (continuous lines). (p. 141)
shows that an increase of the parameter (initial ratio of free to trapped chains) slightly decreases
the elongation viscosity at low strain rates. This can be easily understood if you consider, for ex-
ample, that when =0, the material consists only of trapped chains at rest. The figure also shows
that parameter increases the elongation viscosity at high strain rates, while parameters and
decrease the elongation viscosity. Finally, as can be seen in Figure 6.55: Elongation Viscosity
of the Leonov Model with Parameters G=1000, λ=1, q=1, n=1, ν=2, γ*=2, and a=1, β=k=m=0
(continuous lines). (p. 141), elongation viscosity curves do not show a plateau. This is the fingerprint
of the yielding behavior of the fluid model, which is controlled by the value of the mobility
function under no-debonding (parameter ). Actually, if increases, the elongation viscosity
curves exhibit a plateau at low strain rates; however, as can be seen in the insert of Fig-
ure 6.55: Elongation Viscosity of the Leonov Model with Parameters G=1000, λ=1, q=1, n=1, ν=2,
γ*=2, and a=1, β=k=m=0 (continuous lines). (p. 141), this does not really affect the behavior at
high strain rates while it may improve the stability of the solver.

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 Differential Viscoelastic Flow

Figure 6.55: Elongation Viscosity of the Leonov Model with Parameters G=1000, λ=1, q=1,
n=1, ν=2, γ*=2, and a=1, β=k=m=0 (continuous lines).

Dashed, dashed-dotted and dotted lines show the elongation viscosity for the value of the
parameters as indicated. The insert shows the curves of the steady elongation viscosity obtained
for various values of the mobility function under no-debonding (parameter ). Note that these
curves are not obtained from Ansys Polymat; they result from semi-analytical calculations.

Figure 6.56: Transient Shear Viscosity of the Leonov Model Versus Time, at Shear Rates Ranging
from 10^-2 to 10, With Parameters G=1000, λ=1, q=1, n=1, β=0, ν=2, γ*=2, and a=1, k=m=n=0,
(continuous lines). (p. 142) shows the transient shear viscosity versus time at shear rates ranging
from 10-2 to 10, for various values of parameters and . At first, as can be seen, the transient
shear viscosity exhibits an overshoot before reaching the steady value. It is also interesting to
note that the response time decreases when the shear rate increases. This actually results from
the increasing mobility function under increasing shear rates. Eventually, we find that parameter
decreases the elongation viscosity, while the other parameters have a somewhat less marked
influence.

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Material Data Parameters

Figure 6.56: Transient Shear Viscosity of the Leonov Model Versus Time, at Shear Rates
Ranging from 10^-2 to 10, With Parameters G=1000, λ=1, q=1, n=1, β=0, ν=2, γ*=2, and
a=1, k=m=n=0, (continuous lines).

Dashed and dotted lines show the viscosity for the value of the parameters as indicated. Note
that these curves are not obtained from Ansys Polymat; they result from semi-analytical calcula-
tions.

6.3.3. Temperature Dependence of Viscosity

The viscosity in a non-isothermal differential viscoelastic flow can be temperature-dependent. As
described in Introduction (p. 74), the viscosity will be multiplied by a temperature shift function
. For non-isothermal differential viscoelastic flows, the relaxation time is multiplied by the same
temperature shift function. Temperature-dependent functions available for non-isothermal differential
viscoelastic flows are the Arrhenius law, the Arrhenius approximate law, and the WLF law, all described
in Temperature Dependence of Viscosity (p. 86).

6.3.4. Multiple Relaxation Times for Differential Viscoelastic Flows

If you define multiple relaxation modes for your differential viscoelastic fluid, you can specify the
model, relaxation time, and other parameters for each mode. (It is recommended that you use the
same model for each relaxation mode.) For multiple relaxation modes, the viscoelastic stress is written
as follows:

(6.67)

A purely viscous component can also be added.

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 Differential Viscoelastic Flow

Consider, for example, a fluid being modeled with two relaxation modes as follows:

• mode 1: PTT model, =0.1 s, Pa-s, =0.2,

• mode 2: PTT model, =1 s, Pa-s, =0.2,

Figure 6.57: Simple Shear Flow with Multiple Relaxation Times (p. 143) shows the viscometric behavior
for this fluid in a simple shear flow. Here, the cut-off is controlled by the larger relaxation time, and
the slopes of the curves (for shear rates between 1/ and 1/ ) are affected.

Figure 6.57: Simple Shear Flow with Multiple Relaxation Times

Figure 6.58: Extensional Flow with Multiple Relaxation Times (p. 144) shows the viscometric behavior
for this fluid in an extensional flow. The slopes of the curves (for extension rates between 1/ and
) are affected.

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Material Data Parameters

Figure 6.58: Extensional Flow with Multiple Relaxation Times

Figure 6.59: Transient Shear Flow with Multiple Relaxation Times (p. 145) shows the viscometric beha-
vior for this fluid in a transient shear flow. The multiple relaxation modes have an effect on the tran-
sient phase. In this case, the length of the transient phase depends upon the larger relaxation time.
The multiple relaxation modes also affect the overshoot magnitude.

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 Integral Viscoelastic Flow

Figure 6.59: Transient Shear Flow with Multiple Relaxation Times

6.4. Integral Viscoelastic Flow

This section describes the following topics:
6.4.1. Introduction
6.4.2. Integral Viscoelastic Models
6.4.3.Temperature Dependence of Viscosity

6.4.1. Introduction
While the differential approach is well-suited for practical applications, the integral approach is gen-
erally used for advanced rheological research. Ansys Polymat provides several numerical models for
viscoelastic flow, including Doi-Edwards and KBKZ. Appropriate choices for the viscoelastic model
and related parameters can yield qualitatively and quantitatively accurate representations of viscoelastic
behavior.

Note:

The integral approach to modeling viscoelastic flow is limited to 2D and shell models and
it cannot be applied to 3D models.

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Material Data Parameters

6.4.1.1. Equations
For an integral viscoelastic constitutive equation, the extra-stress tensor is computed at time
from the following equation:

(6.68)

where
= model-specific memory (kernel) function
= model-specific function of and
= model-specific function of and
= Cauchy-Green strain tensor
= current time
= metric for time integrals

and are the scalar invariants of the Cauchy-Green strain tensor:

(6.69)

and
(6.70)

The various integral viscoelastic models are characterized by the form of the functions ,
, and .

For non-isothermal flows, can be computed from the isothermal constitutive equation (Equa-
tion 6.68 (p. 146)), provided that a modified time scale is used for evaluating the strain history:

(6.71)

The modified time scale is related to through the following equation:

(6.72)

where is the shift function, which can be obtained from steady-state shear-viscosity curves at
different temperatures. This is the principle of time-temperature equivalence.

6.4.1.2. Inputs
To specify the viscosity model for an integral viscoelastic flow, you will click the Integral Viscoelastic
models menu item in the Material Data menu.

Integral Viscoelastic models

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 Integral Viscoelastic Flow

If you want to choose a generalized Newtonian flow model with a shear-thinning behavior that is
identical to the currently defined integral model, click the Switch to Generalized Newtonian Flow
menu item in the Integral Viscoelastic models menu.

Switch to Generalized Newtonian Flow

If you want to use the Doi-Edwards model instead of the default KBKZ model, click the Switch to
Doi - Edwards Model menu item in the Integral Viscoelastic models menu.

Switch to Doi - Edwards Model

If you want to define a spectrum of relaxation times, click the Modify the spectrum menu item in
the Integral Viscoelastic models menu.

Modify the spectrum

The spectrum can be defined with (relaxation force, time) or (viscosity, time) data pairs.

If you are using the KBKZ model, you can click Modify the damping function to specify which
damping function is to be used.

Modify the damping function

The default function is Lodge-Maxwell (that is, no damping).

For the KBKZ model, you can also click Modify N2 / N1 to define the ratio of the normal stress
differences.

Modify N2 / N1

If you want to add a constant Newtonian viscosity component to the viscoelastic stresses, you can
click Modify add visc and set a nonzero value for .

Modify add visc

To specify the temperature dependence of viscosity for an integral viscoelastic flow, you will click
the Temperature dependence menu item in the Integral Viscoelastic models menu.

Temperature dependence

Note that the Management of the evolutive viscosity and Numerical integration menu items
are not relevant for Ansys Polymat.

See Non-Automatic Fitting (p. 57) and Automatic Fitting (p. 62) for information about where and
how the material data specification occurs in the non-automatic and automatic fitting procedures,
respectively.

See Integral Viscoelastic Models (p. 148) and Temperature Dependence of Viscosity (p. 159) for details
about the parameters and characteristics of each fluid model.

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Material Data Parameters

6.4.2. Integral Viscoelastic Models

There are two integral viscoelastic models provided in Ansys Polymat:

• Doi-Edwards model: Theoretically, this model has an infinity of relaxation times, determined by
only two parameters: the main relaxation time and the zero-shear-rate viscosity. This constitutive
equation is characterized by shear thinning and a non-quadratic first normal-stress difference at
high shear rates. It also predicts a nonzero second normal-stress difference and a finite steady ex-
tensional viscosity.

For stability reasons, however, it is necessary to add a purely viscous component to the extra-stress
tensor for simple shear flows. The viscosity associated with this purely viscous stress leads to a
plateau zone at high shear rates. In this way, the slope of the curve as a function of is
greater than .

• KBKZ model: In addition to the spectrum that describes the linear viscoelastic behavior of the ma-
terial, the KBKZ model also makes use of a damping function. The damping function can be a
constant value, or one of two functions: Papanastasiou-Scriven-Macosko (PSM) or Wagner. Each of
these two functions has a reversible and an irreversible function type. Both functions are controlled
by two parameters: and for the PSM model and and for the Wagner model. A third para-
meter, , affects the ratio of the second to the first normal-stress difference.

For the PSM model, high values of lead to a large constant viscosity plateau; corresponds
to a constant damping function, which corresponds to a Lodge-Maxwell model. If decreases, the
constant viscosity plateau moves toward lower shear rates. For the Wagner model, high values of
lead to a short constant viscosity plateau, while a small value of gives a plateau for a large
range of shear rates.

For small values of the invariant (a combination of and , defined in Equation 6.80 (p. 150)),
both damping functions are very similar. For high values of , however, the exponential function
of the Wagner model decreases more quickly than the rational function of the PSM model. High
values of occur in the case of large deformations.

The parameter has no effect on the shear viscosity or on the first and second normal-stress dif-
ferences. It affects only the extensional viscosity. A zero value for leads to an unbounded steady
extensional viscosity. Increasing decreases the maximum value of the steady extensional viscosity
curve.

For the PSM and Wagner models, it is possible to introduce the concept of irreversibility originally
mentioned by Wagner [12] (p. 237). The idea is that the damping function must only decrease. Ac-
cording to Wagner, this is a realistic assumption when intermolecular association occurs, as in a
narrowing part of a duct, for example. In the case of a high flow rate through a contraction followed
by an expansion, it is reasonable not to allow the damping function to increase again after the
narrowing of the channel.

As for the Doi-Edwards model, it is necessary to add a purely viscous component to the extra-stress
tensor for simple shear flows with the KBKZ model.

Details about each model are provided below.

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 Integral Viscoelastic Flow

6.4.2.1. Doi-Edwards Model

The Doi-Edwards model is characterized by shear thinning and a non-quadratic first normal-stress
difference at high shear rates. It also predicts a non-vanishing second normal-stress difference and
a finite steady extensional viscosity.

In the Doi-Edwards model, is computed from

(6.73)

where
(6.74)

and
(6.75)

In Equation 6.73 (p. 149), is the index of the relaxation mode.

(optional, but strongly recommended) is computed from Equation 6.27 (p. 100).

6.4.2.2. KBKZ Model

The KBKZ model provides additional accuracy by including a damping function in its constitutive
equations. is computed from

(6.76)

and (optional, but strongly recommended) is computed from Equation 6.27 (p. 100), based on
the specified value of .

In Equation 6.76 (p. 149), is the index of the relaxation mode and is a scalar parameter that
controls the ratio of the normal-stress differences:
(6.77)

and is the damping function. The simplest case (Lodge-Maxwell model) is for no damping:
and .

The Papanastasiou-Scriven-Macosko (PSM) model computes from

(6.78)

where is a material parameter that primarily influences the shear-thinning behavior. The default
value for is 1, which may be unrealistic for many fluids, due to the large possible range of this
parameter.

The Wagner model computes from

(6.79)

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Material Data Parameters

where is a material parameter that influences both the shear viscosity and the elongational beha-
vior of the material.

The reversible PSM model uses Equation 6.78 (p. 149), allowing to increase or decrease. The irre-
versible PSM model allows only to decrease.

Similarly, the reversible Wagner model uses Equation 6.79 (p. 149), allowing to increase or decrease.
The irreversible Wagner model allows only to decrease.

In both Equation 6.78 (p. 149) and Equation 6.79 (p. 149), is computed from
(6.80)

where and are given by Equation 6.69 (p. 146) and Equation 6.70 (p. 146). is a material para-
meter that influences only the elongational behavior of the material. The default value for is 1,
which may be unrealistic for many fluids, due to the large possible range of this parameter.

6.4.2.3. Influence of Damping Functions and Their Parameters

Figure 6.60: Storage and Loss Moduli for Oscillatory Shear Flow (p. 151) through Figure 6.70: Compar-
ison of Reversible and Irreversible PSM Damping Functions for Transient Shear Flow (α=14.38) (p. 159)
show the influence of each parameter of the damping models on the rheological curves for a low-
density polyethylene with the following parameters:

(Pa-s) (s)
1 12.9 10–4
2 94.8 10–3
3 586.0 10–2
4 2670.0 10–1
5 9800.0 10+0
6 18900.0 10+1
7 18000.0 10+2
8 1000.0 10+3

6.4.2.3.1. Oscillatory Shear Flow

For oscillatory shear flow, the wiggles in Figure 6.60: Storage and Loss Moduli for Oscillatory Shear
Flow (p. 151) are due to the discrete relaxation spectrum. There is one wiggle for each relaxation
time, at .

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 Integral Viscoelastic Flow

Figure 6.60: Storage and Loss Moduli for Oscillatory Shear Flow

A comparison of the Wagner and PSM damping functions for oscillatory shear flow is shown in
Figure 6.61: Comparison of Damping Functions for Oscillatory Shear Flow (p. 151).

Figure 6.61: Comparison of Damping Functions for Oscillatory Shear Flow

The damping functions are equivalent for small values of invariant . For large values of , the
Wagner damping function decreases more quickly than the PSM function ( ).

6.4.2.3.2. Simple Shear Flow

Figure 6.62: Comparison of Damping Functions for Simple Shear Flow (p. 152) shows a comparison
of the Wagner and PSM damping functions for a simple shear flow. Shear thinning and a nonlinear
are observed for both functions. The first normal-stress difference is non-quadratic for both
functions, with . The first normal-stress coefficient is non-constant for both functions,

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Material Data Parameters

with . The second normal-stress difference and the second normal-stress coefficient
are 0 for both. is nonlinear and shows asymptotic behavior. For large shear rates, .

Figure 6.62: Comparison of Damping Functions for Simple Shear Flow

6.4.2.3.3. Extensional Flow

Figure 6.63: Comparison of Damping Functions for Extensional Flow (β=0) (p. 153) shows a com-
parison of the Wagner and PSM damping functions for an extensional flow, with =0.

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 Integral Viscoelastic Flow

Figure 6.63: Comparison of Damping Functions for Extensional Flow (β=0)

For the Wagner function, , , and are bounded. For the PSM function, is unbounded
and and are bounded. For small extension rates, the type of damping function has no
effect on the extensional viscosity. For large extension rates, the type of damping function strongly
affects the extensional viscosity.

Figure 6.64: Effect of α (or n) on the PSM Damping Function for Extensional Flow (β=0) (p. 154)
shows the influence of (or ) for an extensional flow with the PSM damping function and =0.

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Material Data Parameters

Figure 6.64: Effect of α (or n) on the PSM Damping Function for Extensional Flow (β=0)

(or ) has little effect on the viscometric curves or the extensional viscosities. For (or
=0), the behavior becomes the same as for Maxwell models.

Figure 6.65: Effect of β on the PSM Damping Function for Steady Extensional Flow (α=14.38) (p. 155)
shows the influence of for an extensional flow with the PSM damping function and =14.38.

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 Integral Viscoelastic Flow

Figure 6.65: Effect of β on the PSM Damping Function for Steady Extensional Flow (α=14.38)

is very sensitive to , is affected around =1, and is not affected by . Note that
has no influence on shear viscosity.

Figure 6.66: Effect of θ on the PSM Damping Function for Steady Extensional Flow (α=14.38,
β=0.1) (p. 156) shows the influence of for an extensional flow with the PSM damping function
and =14.38, =0.1.

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Material Data Parameters

Figure 6.66: Effect of θ on the PSM Damping Function for Steady Extensional Flow (α=14.38,
β=0.1)

When decreases, decreases, increases, and is not affected. Note that, in a simple
shear flow, the viscometric functions (except the second normal-stress difference and coefficient)
are independent of .

6.4.2.3.4. Transient Shear Flow

Figure 6.67: Comparison of Damping Functions for Transient Shear Flow (β=0) (p. 157) shows a
comparison of the Wagner and PSM damping functions for a transient shear flow, with =0.

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 Integral Viscoelastic Flow

Figure 6.67: Comparison of Damping Functions for Transient Shear Flow (β=0)

For the Wagner function, the overshoot is more significant, especially for the first normal-stress
coefficient. The final value of the first normal-stress coefficient is lower for the Wagner function
than for the PSM function. While the transient behavior depends upon shear rate, it is independent
of the reversibility of the damping function.

Figure 6.68: Effect of α (or n) on the PSM Damping Function for Transient Shear Flow (β=0) (p. 158)
shows the influence of (or ) for a transient shear flow with the PSM damping function and
=0.

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Material Data Parameters

Figure 6.68: Effect of α (or n) on the PSM Damping Function for Transient Shear Flow (β=0)

(or ) has little effect on the development of the transient viscosity and the first normal-stress
coefficient. It affects only the final value of the viscosity and the first normal stress.

In the reversible PSM damping function, can increase or decrease, and in the irreversible
function, can only decrease. To illustrate the difference between reversible and irreversible
damping functions, consider a shear-rate history that is a function of time. As shown in Fig-
ure 6.69: Transient Shear Rate Function (p. 158), the shear rate is equal to for , whereas it
becomes for .

Figure 6.69: Transient Shear Rate Function

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 Simplified Viscoelastic Model

Figure 6.70: Comparison of Reversible and Irreversible PSM Damping Functions for Transient Shear
Flow (α=14.38) (p. 159) shows a comparison between the reversible and irreversible PSM damping
function for a transient shear flow with =14.38. The first normal-stress difference for the irrevers-
ible function is less than or equal to the first normal-stress difference for the reversible function.
As a result, the swelling with the irreversible function is less than with the reversible function.

Figure 6.70: Comparison of Reversible and Irreversible PSM Damping Functions for Transient
Shear Flow (α=14.38)

6.4.3. Temperature Dependence of Viscosity

Three models are available for the temperature shift function in Equation 6.72 (p. 146): the Arrhenius
law, the Arrhenius approximate law, and the WLF law, all described in Temperature Dependence of
Viscosity (p. 86). It is also possible to eliminate the temperature dependence using a temperature
shift function equal to 1.

6.5. Simplified Viscoelastic Model

One of the interesting features of viscoelastic flow simulations is the prediction of extrudate swelling,
which can be larger than their Newtonian counterparts. Running complex 3D flows with a rheologically
sophisticated model, however, can be computationally expensive. Therefore, a more simplified approach
is needed: one in which you can qualitatively predict the extrudate free surface. This approach is referred
to as the “simplified viscoelastic model" or the “light viscoelastic model".

This section describes the following topics:

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Material Data Parameters

6.5.1. Equations
6.5.2. Identification of Model Parameters and Functions
6.5.3. Inputs
6.5.4. Behavior Analysis

6.5.1. Equations
It is known that the first normal stress difference is mainly responsible for enhanced extrudate swell
in extrusion flow. This is typically a viscoelastic property. With respect to this, the simplified viscoelastic
model is an extension of existing Newtonian fluid models, where a normal stress difference has been
incorporated into the force balance. That is, in simple shear flow along the first axis and with a shear
rate , the total extra-stress tensor is given by:

(6.81)

In this tensor, is the shear stress component, which involves the shear rate dependent viscosity
. Several laws are available for describing the shear viscosity (see Generalized Newtonian
Flow (p. 73) for more details), for instance, the constant law (Equation 6.7 (p. 74)), the Bird-Carreau
law (Equation 6.8 (p. 75)), the Power law (Equation 6.9 (p. 76)), the Cross law (Equation 6.14 (p. 81)),
the modified Cross law (Equation 6.15 (p. 82)), and the Carreau-Yasuda law (Equation 6.17 (p. 84)).

The first normal stress is given by . This quantity involves the viscoelastic variable , a
quantity that can be referred to as the first normal viscosity, and a weighting coefficient .

The viscoelastic variable obeys a transport equation that involves a characteristic or relaxation time
and is given by:
(6.82)

The equation is such that you recover the solution in simple shear flow. The first normal viscosity
found in Equation 6.81 (p. 160) is described by means of functions similar to those available for
the shear viscosity , where is presently replaced by . In order to facilitate the set up of a flow
simulation involving the simplified viscoelastic model, identical dependences for and are
considered by default. However, it is important to note that different functions can be selected for
the shear and first normal viscosities.

Three algebraic models are available for the relaxation time function:

• Constant relaxation

• Bird-Carreau law

• Power law

Finally, for non-isothermal flows, temperature dependence laws can be selected for the shear and
first normal viscosities (see Temperature Dependence of Viscosity (p. 86) for more details). For instance,

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 Simplified Viscoelastic Model

there is the Arrhenius law Equation 6.21 (p. 86)), the approximate Arrhenius law (Equation 6.22 (p. 87)),
and the WLF law (Equation 6.24 (p. 94)).

When defining a non-isothermal case, a single function is used to describe the temperature dependence
of the material functions , , , and optionally of .

6.5.2. Identification of Model Parameters and Functions

The simplified viscoelastic model is mainly an empirical construction. The key ingredient is the normal
stress property that is introduced for the prediction of swelling. Although it is possible to qualitatively
relate the swelling and the first normal stress difference, a quantitative relationship is not obvious.
Methodologies have to be identified and developed for the determination of material functions and
parameters. A stepwise technique is recommended for this purpose.

Note that the simplified viscoelastic model has been developed and implemented mainly for the
simulation of 3D extrusion flows, therefore including the prediction of extrudate swelling. Therefore,
it is acceptable to use cylindrical extrudate swelling data for the identification of the specific model
properties.

As seen above, the simplified viscoelastic model involves three material functions and a parameter:
the shear viscosity , the first normal viscosity , the relaxation time , and a weighting
coefficient . Typically, usual viscosity data should be used for identifying the shear viscosity function.
In most situations, shear thinning is experimentally observed, and algebraic relationships such as
power law, Bird-Carreau, or Cross laws will be good candidates. However, it is recommended that
you consider a law that exhibits a zero-shear plateau if regions of no-deformation are expected over
the flow domain.

Important:

The parameters of the shear viscosity can be fitted automatically in Ansys Poly-
mat based on experimental steady shear viscosity curve(s), as for a generalized Newtonian
model. The other parameters of the model cannot actually be fitted in Ansys Polymat. Note
that if rheometric curves are drawn in the chart, only the Newtonian part of the model is
seen.

Next, a function and material parameters should be selected for the first normal viscosity . By
default, a relationship identical to the selected shear viscosity is considered, as this appears to
be a reasonable choice, at least at first. Of course, this default selection can be revised subsequently.
The power law, which exhibits unbounded values under zero deformation, should be avoided if large
regions of no deformation are expected. Instead, functions that exhibit a plateau, such as the Bird-
Carreau laws, should be preferred.

Eventually, for the relaxation time and the weighting coefficient , it is suggested to perform
a fast 2D simulation of axisymmetric extrudate swelling, where the effects of the remaining degrees
of freedom are examined. Typically, the weighting coefficient will control the swelling intensity
versus the flow rate, while the relaxation time function will control the development of the ex-
trudate diameter along the jet, and may have a possible influence also on the developed extrudate
geometric attributes. Usually, a constant value or a Bird-Carreau law can be selected for the relaxation
time; the value or zero-shear value should preferably be in agreement with the typical times involved

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Material Data Parameters

in the flow. On the other hand, a series of calculations should be performed with various values of
the weighting coefficient , where the development of extrudate versus the flow rate is examined,
via an evolution scheme. A comparison with experimental data on swelling should enable the selection
of an appropriate numerical value for the weighting coefficient .

6.5.3. Inputs
The units for the parameters and their names in the Ansys Polymat interface are as follows:

Parameter Name in Ansys Polymat Mass Length Time

viscosity function 1 –1 –1

first normal viscosity function 1 –1 –1

relaxation time function - - 1

weighting coefficient - - -
- - - -1
- - - -1

By default, the viscosity, the first normal viscosity, and the relaxation time functions are constant and
set to 1. The weighting coefficient is also set to 1.

6.5.4. Behavior Analysis

The simplified viscoelastic model involves three material functions and a parameter: the shear viscosity
, the normal viscosity , the relaxation time , and a weighting coefficient . Considering
the empirical construction of the simplified viscoelastic model, it is probably more relevant to inspect
the behavior from the point of view of extrusion flow, in particular from the point of extrudate
swelling. As will be seen, the various ingredients may have opposite effects, and enter in competition
with each other.

As is known, shear thinning decreases the extrudate swelling. However, the other ingredients will
usually enhance the swelling. Consider that the normal and shear viscosities are the same function
of their respective dependence variable; the weighting coefficient and the relaxation time are to be
considered. Actually, selecting a normal viscosity independently with respect to the shear viscosity
will mainly make the analysis more complex without significantly affecting the general conclusions.
The weighting coefficient adjusts the intensity of the first normal stress difference, and will essentially
enhance the extrudate swelling. This is shown in Figure 6.71: Example of axisymmetric extrusion
simulation for the simplified viscoelastic fluid model through a cylindrical tube with a unit radi-
us. (p. 163), which plots the curve of swelling versus the flow rate for various simplified viscoelastic
fluid models. The continuous lines show the swelling for various values of the weighting coefficient.
Note that the amount of swelling can significantly be affected. In Figure 6.72: Example of axisymmetric
extrusion simulation for the simplified viscoelastic fluid model through a cylindrical tube with a unit
radius. (p. 164), note the development of the free surface versus the axial distance, for various values
of . Note that the development versus the position is not significantly affected be a specific choice
of . The relaxation time appears in the transport equation for the viscoelastic variable; con-
sequently it will at first affect the development of the swelling along the flow direction. This is visible
in Figure 6.72: Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid

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 Simplified Viscoelastic Model

model through a cylindrical tube with a unit radius. (p. 164), where the dashed lines indicate the de-
velopment of swelling versus the axial distance: the development distance increases with the relaxation
time, while actually the amount of swelling is less affected by the relaxation time. As can be seen in
Figure 6.71: Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid model
through a cylindrical tube with a unit radius. (p. 163), the overall swelling is less affected by the value
of the relaxation time.

Figure 6.71: Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid
model through a cylindrical tube with a unit radius.

Swelling of an extrudate versus the flow rate, for various values of (continuous lines) at =0.5 and
for various values of (dashed lines) at . Note that these curves are not obtained from Ansys
Polymat; they result from Ansys Polyflow calculations.

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Material Data Parameters

Figure 6.72: Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid
model through a cylindrical tube with a unit radius.

Development of an axisymmetric extrudate versus the axial distance at a flow rate of 10 (see also
Figure 6.71: Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid model
through a cylindrical tube with a unit radius. (p. 163)), for various values of (continuous lines) at
=0.5 and for various values of (dashed lines) at =1.2. Note that these curves are not obtained
from Ansys Polymat; they result from Ansys Polyflow calculations.

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Chapter 7: Rheological Properties
Depending on the kinematics of the system you are modeling (steady shear flow, steady extensional
flow, oscillatory shear flow, and so on), it is possible to compute and plot several viscometric properties
in Ansys Polymat.

The following sections describe various kinematics properties, along with the name of each property
as it appears in the Load Curves (Part I) and Load Curves (Part II) menus in Ansys Polymat.
7.1. Steady Simple Shear Flow
7.2. Steady Extensional Flow
7.3. Oscillatory Shear Flow
7.4.Transient Shear Flow
7.5.Transient Extensional Flow

7.1. Steady Simple Shear Flow

Steady simple shear flow is characterized by a horizontal velocity field, illustrated in Figure 7.1: Steady
Simple Shear Flow (p. 165) and defined as follows:

(7.1)

where , , and are the velocity components in the , , and directions, respectively, and is
the constant shear rate, which is equal to .

Figure 7.1: Steady Simple Shear Flow

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Rheological Properties

On the basis of this flow field, the following properties can be computed:

• steady shear stress:

(7.2)

In the Load Curves (Part I) menu, click Shear Stress.

• steady shear viscosity:

(7.3)

In the Load Curves (Part I) menu, click Shear Viscosity.

• first normal-stress difference:

(7.4)

In the Load Curves (Part I) menu, click 1st Normal Stress Difference.

• second normal-stress difference:

(7.5)

In the Load Curves (Part I) menu, click 2nd Normal Stress Difference.

• first normal-stress coefficient:

(7.6)

In the Load Curves (Part I) menu, click 1st Normal Stress Coefficient.

• second normal-stress coefficient:

(7.7)

In the Load Curves (Part I) menu, click 2nd Normal Stress Coefficient.

• recoverable stress:

(7.8)

In the Load Curves (Part I) menu, click Stress ratio Sr.

• estimated relaxation time:

(7.9)

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 Steady Extensional Flow

In the Load Curves (Part I) menu, click Lambda = Sr / shear_rate.

Note:

Equation 7.4 (p. 166) — Equation 7.9 (p. 166) have nonzero values only for viscoelastic fluids.
For this reason, these properties are not available in Ansys Polymat for generalized Newtonian
fluids.

To compute each of these curves, you will need to specify a minimum and maximum shear rate (
and ), and the number of sampling points. See Defining Numerical Parameters (p. 58) and Defining
Numerical Parameters (p. 64) for information about specifying numerical parameters for viscometric
property curves. See Specifying the Curves to be Calculated (p. 58) for information about specifying
which curves you want to compute and plot. (Note that, if you use the automatic fitting method, Ansys
Polymat will automatically compute and plot the curves for all properties for which experimental data
curves have been defined.)

7.2. Steady Extensional Flow

Steady extensional flow can be uniaxial, biaxial, or planar. Uniaxial extensional flow is illustrated in
Figure 7.2: Uniaxial Extensional Flow (p. 168) and defined as follows:

(7.10)

where is a constant elongational strain rate.

The corresponding stress distribution can be written as

(7.11)
(7.12)

where is the uniaxial extensional viscosity.

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Rheological Properties

Figure 7.2: Uniaxial Extensional Flow

Biaxial extensional flow is illustrated in Figure 7.3: Biaxial Extensional Flow (p. 168) and defined as follows:

(7.13)

where is a constant elongational strain rate.

Figure 7.3: Biaxial Extensional Flow

The corresponding stress distribution can be written as

(7.14)
(7.15)

where is the biaxial extensional viscosity.

Planar extensional flow is illustrated in Figure 7.4: Planar Extensional Flow (p. 169) and defined as follows:

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 Oscillatory Shear Flow

(7.16)

where is a constant elongational strain rate.

Figure 7.4: Planar Extensional Flow

The corresponding stress distribution can be written as

(7.17)

where is the planar extensional viscosity.

For extensional flow fields, the uniaxial, biaxial, and planar extensional viscosity curves ( , , and
) can be computed. Click Uniaxial Extensional Viscosity, Biaxial Extensional Viscosity, and/or
Planar Extensional Viscosity in the Load Curves (Part I) menu if you want Ansys Polymat to compute
one (or more) of these curves.

To compute each of these curves, you will need to specify a minimum and maximum extensional strain
rate ( and ), and the number of sampling points. See Defining Numerical Parameters (p. 58)
and Defining Numerical Parameters (p. 64) for information about specifying numerical parameters for
viscometric property curves. See Specifying the Curves to be Calculated (p. 58) for information about
specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting
method, Ansys Polymat will automatically compute and plot the curves for all properties for which ex-
perimental data curves have been defined.)

7.3. Oscillatory Shear Flow

It is often interesting to examine the response of a viscoelastic material to a small-amplitude oscillatory
shear rate. This flow allows you to investigate the linear viscoelastic behavior of the material, and yields
the storage and loss moduli, and . For the upper-convected Maxwell model,

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Rheological Properties

(7.18)

For oscillatory shear flow fields, the property curves for the storage and loss moduli ( and ) can be
computed. Select Storage Modulus and Loss Modulus in the Load Curves (Part I) menu if you want
Ansys Polymat to compute these curves.

To compute each of these curves, you will need to specify a minimum and maximum angular frequency
( and ), and the number of sampling points. See Defining Numerical Parameters (p. 58) and
Defining Numerical Parameters (p. 64) for information about specifying numerical parameters for vis-
cometric property curves. See Specifying the Curves to be Calculated (p. 58) for information about
specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting
method, Ansys Polymat will automatically compute and plot the curves for all properties for which ex-
perimental data curves have been defined.)

7.4. Transient Shear Flow

It can also be interesting to calculate the response of a viscoelastic material to one or more instantaneous
variations of shear rate. The main types of transient shear flows are described below, and Figure 7.5: Tran-
sient Shear Flows (p. 171) shows the shear rate as a function of time for these flows.

• start-up (two time intervals):

(7.19)

• stop (two time intervals):

(7.20)

• start-up and stop (three time intervals):

(7.21)

• double-step (five time intervals):

(7.22)

The double-step flow is used to assess the irreversible character of the viscoelastic material.

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 Transient Extensional Flow

Figure 7.5: Transient Shear Flows

For transient shear flow fields, the transient property curves for the properties defined by Equa-
tion 7.2 (p. 166) – Equation 7.9 (p. 166) can be computed. Click Select transient curves in the Load
Curves (Part I) menu to open the Load Curves (Part II) menu, where you can then select Transient
Shear Rate, Transient Shear Stress, Transient Shear Viscosity, Transient 1st Normal Stress Difference,
Transient 2nd Normal Stress Difference, Transient 1st Normal Stress Coefficient, and/or Transient
2nd Normal Stress Coefficient if you want Ansys Polymat to compute one (or more) of these curves.

To compute each of these curves, you will need to define the desired number of time intervals during
which a constant shear rate is applied. The time interval is bounded by the time values and .
All times must be included between the specified minimum and maximum times, ( and ). The
number of sampling points per time interval must also be specified. See Defining Numerical Paramet-
ers (p. 58) and Defining Numerical Parameters (p. 64) for information about specifying numerical
parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 58) for in-
formation about specifying which curves you want to compute and plot. (Note that, if you use the
automatic fitting method, Ansys Polymat will automatically compute and plot the curves for all properties
for which experimental data curves have been defined.)

7.5. Transient Extensional Flow

You may also want to calculate the response of a viscoelastic material to one or more instantaneous
variations of strain rate. The main types of transient extensional flows correspond to the types of tran-
sient shear flows described in Transient Shear Flow (p. 170) and illustrated by Figure 7.5: Transient Shear
Flows (p. 171) (with the extensional strain rate substituted for the shear rate ). The velocity field for
a transient extensional flow is as defined for the steady extensional flow in Steady Extensional
Flow (p. 167).

In a transient uniaxial extensional flow, the stress difference is

(7.23)

In a biaxial or planar extensional flow, the stress difference is

(7.24)

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Rheological Properties

For transient extensional flow fields, the transient property curves for the properties defined in Steady
Extensional Flow (p. 167) can be computed. Select Transient Extensional Rate, Uniaxial Extensional
Stress vs. Strain [ln(1/lo)], Uniaxial Extensional Stress vs. Time, Uniaxial Extensional Viscosity vs.
Time, Biaxial Extensional Stress vs. Strain [ln(1/lo)], Biaxial Extensional Stress vs. Time, Biaxial
Extensional Viscosity vs. time, and/or Planar Extensional Stress vs. Strain [ln(1/lo)], Planar Exten-
sional Stress vs. Time, Planar Extensional Viscosity vs. Time in the Load Curves (Part II) menu if
you want Ansys Polymat to compute these curves.

To compute each of these curves, you will need to define the desired number of time intervals during
which a constant extensional strain rate is applied. The time interval is bounded by the time values
and . All times must be included between the specified minimum and maximum times, (
and ). The number of sampling points per time interval must also be specified. See Defining Numer-
ical Parameters (p. 58) and Defining Numerical Parameters (p. 64) for information about specifying
numerical parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 58)
for information about specifying which curves you want to compute and plot. (Note that, if you use
the automatic fitting method, Ansys Polymat will automatically compute and plot the curves for all
properties for which experimental data curves have been defined.)

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Chapter 8: Defining and Plotting Curves
This chapter describes how to visualize the rheological properties of various fluid models and to fit
them to experimental data, by defining or reading experimental data curves and plotting curves
graphically using Ansys Polymat.
8.1. Overview
8.2. Working with Curves
8.3. Adding, Removing, and Modifying Charts

8.1. Overview
You can create 2D curves in Ansys Polymat, or load .crv files that you have previously created in
Polymat, .prb files that Polyflow saved during the calculation (see Saving Data at a Specified Point in
the separate Polyflow User's Guide), or .cnvg files that Polyflow created when monitoring the relative
variation of the norm of a given field as it evolves during the solver iterations. For information about
creating and loading curves, see Working with Curves (p. 174) and Reading Experimental Data Curves
for the Non-Automatic Fitting Method (p. 48), respectively. These curves are automatically displayed
in a chart, which is a tab with a white area with two axes. You can manipulate the display using the
various GUI controls and your mouse. Each curve can also have different attributes (color, marker, and
so on) and can be included in more than one chart, if desired. After you have defined the curves in a
particular chart, you can save it for use in a later Ansys Polymat session.

When you click the Draw menu button, the curves that were selected with the Rheometry menu button
will be updated and added to the current chart. This allows you to progressively fit the selected fluid
model to the available rheological data by adjusting the model parameters one by one. See Non-
Automatic Fitting (p. 57) for details. Note that you will not need to click Draw and Rheometry if you
use the automatic fitting procedure, because Ansys Polymat will update the chart for you automatically
after it completes the fitting calculation.

8.1.1. Definitions of Terms

The following terms are used throughout this chapter:

axis

is a segment of a chart. Each axis has a range of values, and an interval (called a gap). You can
add a name to the axis, modify the format and precision of the printed numbers, and modify the
type of scaling (linear or logarithmic). See Modifying the Axis Attributes (p. 180) for details about
modifying axis parameters.

chart

is a tab with a white window where curves are displayed. Multiple curves can be plotted on the
same chart, and multiple chart tabs can be created in the chart window.

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Defining and Plotting Curves

curve

is a set of (x,y) pairs of values. The parameters of a curve include whether the data points are
connected by a line, the color and thickness of the line, and the markers for the data points. See
Working with Curves (p. 174) for information about selecting and modifying curves.

8.2. Working with Curves

This section describes the following topics:
8.2.1. Defining Experimental Data Curves
8.2.2. Reading Curve Files
8.2.3. Deleting a Curve
8.2.4. Modifying a Curve Definition
8.2.5. Saving a Curve
8.2.6. Moving or Copying a Curve
8.2.7. Modifying Curve Display Attributes

8.2.1. Defining Experimental Data Curves

The procedure for defining an experimental data curve is as follows:

1. Click the curve button to open the Create a New Curve dialog box (Figure 8.1: The Create
a New Curve Dialog Box (p. 174)).

Figure 8.1: The Create a New Curve Dialog Box

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 Working with Curves

2. Enter a name for the curve in the Name text-entry box. This name will be displayed and available
for selection in the curve list when you finish creating the curve.

3. Enter the X and Y value for each data pair. At any point you can delete a single data pair by se-
lecting it and clicking Delete, or you can delete all of the data pairs by clicking Delete All.

4. Click OK to create the specified curve. The data points will be automatically plotted in the current
chart and the name will be added to the curve list.

5. If you want to save the curve to a file, select it in the curve list and click the button. The
Save curve dialog box will open, where you can specify a filename and directory. The format of
the curve file is described in Reading Experimental Data Curves for the Non-Automatic Fitting
Method (p. 48).

6. To add additional curves, repeat the previous steps.

8.2.2. Reading Curve Files

For information on reading curve files, see Reading Experimental Data Curves for the Non-Automatic
Fitting Method (p. 48) and Reading Experimental Data Curves for the Automatic Fitting Method (p. 49).

8.2.3. Deleting a Curve

If you want to delete a curve, select it in the curve list and click the button. You can select multiple
curves in the curve list by holding down the Ctrl or Shift key while making selections and delete
them all at the same time.

8.2.4. Modifying a Curve Definition

If you want to modify the name and/or data pairs of a curve, select it in the curve list and click the
button. Then edit the Name text-entry box and/or values of the data pairs using the Edit <name>
dialog box that opens, where <name> is the name of the curve.

8.2.5. Saving a Curve

To save a curve, select it in the curve list and click the curve button. Then specify the name and
directory using the Save curve dialog box that opens, and click Save.

8.2.6. Moving or Copying a Curve

To move or copy a curve into another existing chart, select the curve in the curve list and click the
button to open the Move or Copy Curve(s) dialog box (Figure 8.2: The Move or Copy Curve(s)
Dialog Box (p. 176)). Then, select either Move or Copy from the Options: list, select the chart to which
it is to be moved or copied from the To: drop-down list, and click OK.

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Defining and Plotting Curves

Figure 8.2: The Move or Copy Curve(s) Dialog Box

8.2.7. Modifying Curve Display Attributes

You can modify how a curve is displayed in the chart by selecting it in the curve list and using the
curve settings, as described in The Curve Settings (p. 44).

8.3. Adding, Removing, and Modifying Charts

Information about adding, removing, and modifying graphics is presented in the following subsections.
8.3.1. Adding and Removing a Chart
8.3.2. Modifying the Title and Legend
8.3.3. Modifying the Range and Scaling
8.3.4. Modifying the Axis Attributes

8.3.1. Adding and Removing a Chart

To add another chart tab to the default chart in the chart window (Figure 8.3: The Chart Buttons and

Default Chart Window (p. 177)), click the New Chart chart button ( ) or right-click the name
of an existing chart (located in the tab at the top of the chart) and select New Chart from the menu
that opens.

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 Adding, Removing, and Modifying Charts

Figure 8.3: The Chart Buttons and Default Chart Window

To delete a chart, right-click the name of the chart to be deleted and select Close from the menu
that opens, as shown in Figure 8.4: Closing a Graphic (p. 178). To delete every chart but one, right-click
the name of the chart to be preserved and select Close All But This from the menu that opens.

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Defining and Plotting Curves

Figure 8.4: Closing a Graphic

8.3.2. Modifying the Title and Legend

To modify the title of the current chart, right-click in the chart and select Properties from the menu
that opens. Then click the General tab in the Properties dialog box that opens (Figure 8.5: The
General Tab of the Properties Dialog Box (p. 179)), and enter a name in the Title text-entry box.

If you enable the Show Legend option in the General tab, a legend will be displayed in the chart
that identifies the line color and marker associated with each curve. You can specify that this legend
appears within the axes or outside of the axes by enabling or disabling the Inline option, respectively.

The changes you specify will not take effect until you click Apply or OK in the Properties dialog box.

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 Adding, Removing, and Modifying Charts

Figure 8.5: The General Tab of the Properties Dialog Box

8.3.3. Modifying the Range and Scaling

To change the range of values visible in a chart, you can translate the view by clicking in the chart
and dragging the mouse.

You can revise the magnification of the view, by hovering your mouse over the chart and rotating
the scroll wheel of your mouse. You can also zoom in by positioning the mouse at the corner of the
area to be magnified, holding down the middle mouse button, and dragging the mouse to create a
rectangle; when you release the middle mouse button, the area within the rectangle will fill the chart.

You can adjust the scale of the axes of the current chart tab to show all of the data points by clicking

the Auto Range button ( ), or by right-clicking in the chart and selecting Auto Range
from the menu that opens.

You can also revise the range/scaling via the axis attributes, as described in Modifying the Axis Attrib-
utes (p. 180).

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Defining and Plotting Curves

8.3.4. Modifying the Axis Attributes

There are several attributes of the axes that you can modify: axis name, format and precision of the
numbers attached to axis markers, and the scale and limits of the displayed numbers. All of these
attributes are specified in an axis tab of the Properties dialog box. To open the Properties dialog
box associated with the current chart, right-click in the chart and select Properties from the menu
that opens. The attributes for the x axis are shown in Figure 8.6: The X Axis Tab of the Properties
Dialog Box (p. 180).

Figure 8.6: The X Axis Tab of the Properties Dialog Box

To define a new name for the axis, specify it in the Title text-entry box.

The Ticks group box allows you to specify whether you want to show gridlines in the chart (via the
Show Grid option), and whether to display numbers for the axis markers (via the Show Ticks Label
option). Note that the Show Grid option must be disabled in both axes' tabs to remove the gridlines.
The Ticks group box also allows you to specify the Format and Precision of the numbers. Three
formats are available for the numbers:

• Auto (that is, as many decimal places as necessary)

• Scientific (for example, 1.20e+001)

• Fixed (that is, two decimal places)

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 Adding, Removing, and Modifying Charts

The Range group box allows you to specify whether a linear or a logarithmic (base 10) scale is used
for the axis (via the Logarithmic scale option). When the Auto-adjust option is enabled, the scale
of the axis automatically adjusts to show all of the data points; when disabled, the axis only shows
the range specified via the Min and Max number-entry boxes.

The changes you specify will not take effect until you click Apply or OK in the Properties dialog box.

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Chapter 9: Guidelines for Viscoelastic Models
This chapter presents some guidelines for selecting an appropriate model and fitting the related para-
meters for several common applications.
9.1. Introduction
9.2.The Weissenberg Number
9.3. Viscometric and Rheometric Measurements
9.4. General Strategy for Fitting
9.5. Guidelines for Extrusion
9.6. Guidelines for Fiber Spinning
9.7. Guidelines for Film Casting
9.8. Guidelines for Blow Molding and Thermoforming
9.9. Guidelines for Pressing
9.10. Empirical Rules and Principles

9.1. Introduction
There are several viscoelastic models available in Ansys Polymat, as described in detail in Material Data
Parameters (p. 71). These models involve linear and nonlinear parameters, which in turn carry viscometric
and extensional properties. It can often be a difficult task to select the best constitutive equation with
the most appropriate material parameters. The task can be more easily addressed if it is broken into
three smaller questions: how many modes, which constitutive equation, and which parameter settings.
These questions implicitly assume that everything is known about the material being modeled, and
that all properties are equally important, which is usually not the case. In actual industrial practice,
however, only some of the information is known, and assumptions will therefore be necessary.

The purpose of this section is to suggest useful guidelines for the selection of a constitutive model and
associated parameters. Two strategies are possible: you can evaluate the numerical values of parameters
in order to match some experimental data in a given range, or you can try to fit all viscometric (and
possibly elongational) measured data over a broad range. The two approaches lead more or less to the
selection of a rheological model for a flow and the selection of a rheological model for a fluid, respect-
ively.

Although you may prefer one of these two approaches, useful guidelines can be found in both of them.
Therefore, the guidelines that follow will be presented on the basis of the flow being simulated. For
example, the kinematics involved in profile extrusion is significantly different from that in blow molding
or thermoforming. Indeed, swelling during extrusion results from a velocity rearrangement and normal-
stress difference developed in a shear flow, while blow molding involves an elongational component
with a strain-hardening or strain-thinning response from the melt.

Recommendations will be given for the four most-commonly encountered types of flow: extrusion
(Guidelines for Extrusion (p. 189)), fiber spinning (Guidelines for Fiber Spinning (p. 191)), film casting

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Guidelines for Viscoelastic Models

(Guidelines for Film Casting (p. 193)), and blow molding/thermoforming processes (Guidelines for Blow
Molding and Thermoforming (p. 194)).

9.2. The Weissenberg Number

Consider a flow whose typical kinematics is given by , and let λ be the relaxation time of the fluid.
The Weissenberg number is given by
(9.1)

This number indicates the elasticity involved in a flow.

The Weissenberg number is sometimes understood as the ratio between a normal-stress difference and
a shear stress. Such an interpretation raises questions about the relevance of Weissenberg numbers as
high as 20 or even 100. Indeed, this would involve a very high normal stress, and besides a few biolo-
gical fluids, the majority of macromolecular fluids would not sustain such a high stress.

Important:

Note that a polymer melt is characterized by a relaxation spectrum, rather than by a single
relaxation time. Hence, when evaluating , it is important to consider an adequate relaxation
time λ.

9.3. Viscometric and Rheometric Measurements

In general, you should obtain rheological measurements for the melt in the following order of importance:
oscillatory properties (storage and loss moduli), steady-state shear viscosity, first normal-stress difference
and/or transient uniaxial elongational viscosity. Of course, it is not always possible to obtain such an
extensive range of measurements, which can often be costly.

This section describes the following topics:

9.3.1. Oscillatory Properties
9.3.2. Steady-State Shear Viscosity
9.3.3. First Normal-Stress Difference
9.3.4.Transient Uniaxial Elongational Viscosity

9.3.1. Oscillatory Properties

The oscillatory properties (storage and loss moduli, represented by and , respectively) should
always be provided. For most polymer melts, the measurement of the oscillatory properties is easy.
Storage and loss moduli are usually obtained over several decades. The most typical measurement
device is the cone-plate rheometer. Measurements can be taken at one temperature if an isothermal
model is being considered, or at various temperatures if a non-isothermal model is being considered.

In general, measurements can be taken at various temperatures in order to obtain master curves of
and at a suitably selected temperature. For this, the time-temperature equivalence can be used
in order to properly shift the curves. By doing so, it is possible to expand the range of experimental

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 General Strategy for Fitting

data for the linear properties, provided that the material exhibits visible temperature dependence.
See Empirical Rules and Principles (p. 198) for details.

9.3.2. Steady-State Shear Viscosity

The steady-state shear viscosity is also always needed. When possible, it should also be measured
using capillary rheometry, and the data for shear viscosity vs. true shear rate should be obtained. If
such an experiment is not feasible, you can instead extract information about shear viscosity from
the empirical Cox-Merz rule [4] (p. 237), assuming that the modulus of the complex viscosity can be
obtained from dynamic data. Alternatively, you can extract information about shear viscosity from
the empirical mirror relationship of Gleissle [6] (p. 237), which suggests that the steady shear viscosity
curve is a mirror image of the transient shear viscosity measured at a low shear rate. This assumes
that transient viscosity measurements are indeed possible. See Empirical Rules and Principles (p. 198)
for details.

Even though the knowledge of the shear viscosity is not important for all processes, the automatic
fitting procedure requires it. Extrapolating from measured quantities can provide additional data, but
data should not be extrapolated over more than one decade.

9.3.3. First Normal-Stress Difference

If available, the steady data of the first normal-stress difference is also useful. Data can be acquired
using a cone-plate rheometer or using a technique based on the hole pressure. It is also possible to
estimate the first normal-stress difference on the basis of capillary extrudate swell, by using an empir-
ical formula suggested by Tanner [11] (p. 237).

If such data cannot be acquired, you can instead extract information about the steady first normal-
stress difference using the empirical Cox-Merz rule [4] (p. 237) (p. 201), assuming that the storage
modulus can reveal a good indication about the first normal-stress difference. See Empirical Rules
and Principles (p. 198) for details.

Even though the knowledge of the first normal-stress difference is not important for all processes,
the automatic fitting procedure can benefit from it. While extrapolating from measured quantities
can provide additional data, data should not be extrapolated over more than one decade.

9.3.4. Transient Uniaxial Elongational Viscosity

If available, transient uniaxial elongational viscosity data are also useful. Data should be obtained by
measuring at a constant strain rate or constant stretching velocity, which can be accomplished using
equipment involving the EVF technology or of the Münstedt type (for example, filament stretching).

9.4. General Strategy for Fitting

This section describes the following topics:
9.4.1. Weighting Measured Data
9.4.2. Assigning a Value to a Parameter
9.4.3. Using Identical or Independent Nonlinear Parameters
9.4.4. Relaxation Time vs. Relaxation Spectrum in Extrusion, Fiber Spinning, and Film Casting

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9.4.5. Relaxation Time vs. Relaxation Spectrum in Blow Molding and Thermoforming
9.4.6. Relaxation Time vs. Relaxation Spectrum in Pressing

9.4.1. Weighting Measured Data

Once you have obtained the data described in Viscometric and Rheometric Measurements (p. 184),
you can weight its importance within Ansys Polymat, as described in Defining Numerical Paramet-
ers (p. 64). This is useful if, for example, there is some uncertainty about the data for a particular
property, or if some data have been measured at a different temperature.

9.4.2. Assigning a Value to a Parameter

Material parameters are specified within a range of acceptable values. For example, viscosity factors
must be positive. If the automatic fitting method is used, each material parameter can have three
types of status: subject to fitting, initial value, or fixed value. By default, all parameters are subject to
fitting, meaning that Ansys Polymat will compute the best value based on the experimental data. If
you have a priori knowledge of the value of a parameter, you can speed up the fitting calculation by
assigning an initial value for it.

Since there may be many parameters for a model, and there may be only a limited amount of exper-
imental data available, it can be difficult to compute the best set of parameters. In this case, it is
preferable to assign a fixed value to one or more parameters, so that they will not change during the
fitting calculation.

If the model involves only one relaxation time, its value can be either assigned or computed by Ansys
Polymat. For a multi-mode model, however, you will need to specify the spectrum of relaxation times
yourself, or let it computed by Ansys Polymat. In that last case, you have just to specify the minimum
and maximum possible relaxation times.

Next, there are nonlinear parameters for the models. For the PTT model (described in Phan-Thien-
Tanner Model (p. 113)), the parameters ε and ξ control the elongational viscosity and viscometric
properties, respectively: an increasing ε reduces or even cancels the strain hardening, while ξ affects
shear-thinning properties as well as the amount of second normal-stress difference. Based on your
needs, knowledge, or available experimental data, you may want to fix these values. Typically, strain
hardening occurs for to , and disappears for . For example, low values for ε
should be specified for a LDPE, while moderate values are appropriate for a LLDPE or a HDPE. On the
other hand, shear thinning occurs for nonzero values of ξ, which usually is set to about 0.2. For
practical purposes, it can be given a value of 0.5 or even as high as 1.

The Giesekus model (described in Giesekus Model (p. 119)) involves the parameter α, which simultan-
eously increases shear thinning and the second normal-stress difference while it reduces the strain-
hardening property. Again, based on your needs, knowledge, or available experimental data, you can
fix the value of α. When viscometric properties are relevant for the flow, values of α ranging from
0.2 to 0.8 are common. If elongational properties are needed, α plays a role similar to ε in the PTT
model, and very low values (10-3 to 10-2) should be considered if strain hardening is needed.

For a PTT model with a nonzero value of ξ or a Giesekus model with α>0.5, as well as for the DCPP
and the Leonov models, in both single- and multi-mode models, it is important to check whether the
shear stress remains a monotonically increasing function of shear rate. A non-increasing shear stress
can be corrected by adding a purely Newtonian component to the stress tensor. For single mode PTT
model with a zero value of ε and for single mode Giesekus model with α = 1, the viscosity of this

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 General Strategy for Fitting

component is at least 1/9 of the zero-shear-rate viscosity. For single mode PTT model with a non-zero
value of ε, for single mode Giesekus model with α less than 1, as well as for multi-mode models, the
viscosity of this component can be lower.

The DCPP model (described in Differential Viscoelastic Models (p. 101)) involves the parameter ξ, which
simultaneously increases shear thinning and the second normal-stress difference while the parameter
q increases the strain-hardening property. You can fix the value of ξ and q, based on your requirements,
knowledge, or available experimental data. When viscometric properties are relevant for the flow,
values of ξ ranging around 0.2 are reasonable. If elongational properties are needed, and in particular
if strain hardening is needed, the parameter q should be increased; it reflects the number of branches,
and therefore affects the behavior in elongation.

The Leonov model (described in Differential Viscoelastic Models (p. 101)) involves several nonlinear
parameters, affecting either the viscometric behavior or the elongation properties. You assign values
to some of these nonlinear parameters, based on your requirements, knowledge, or available experi-
mental data. Parameters q and affect the transition from trapped to free configuration of macro-
molecular chains. When viscometric properties are relevant for the flow, it is interesting to note that
enhances the shear thinning property, while increases the viscosity. has no effect on the shear
viscosity, while it contributes to a decrease of the elongational viscosity. If elongational properties
are needed it can be noted that n increases the strain hardening, while b and m decrease it.

It is possible that the fitting calculation may yield values for nonlinear parameters that are unusual,
although within the limits of accuracy. In this case, you should set these parameters to more appro-
priate fixed values, and rerun the fitting calculation. This will yield another set of parameters with the
expected properties.

In general, the fitting calculation will determine parameter values on the basis of the available exper-
imental data. However, the available data do not necessarily include the operating conditions, as
measurement techniques do not always allow for reaching the conditions present in the actual process.
Fiber spinning is a typical example, where the melt is processed at strain rates much higher than
those available for rheometric measurement. For such cases, you can extrapolate from available data.

9.4.3. Using Identical or Independent Nonlinear Parameters

When a multi-mode differential viscoelastic model is selected, it is strongly advised that all modes
obey the same constitutive equation. This requirement is even enforced for some models. Despite
this, a multi-mode model may involve a long series of linear and nonlinear parameters, which need
to be identified on the basis of a few data only. You have the option of specifying that nonlinear
parameters of a given type will be assigned the same value for all modes. This may sometimes improve
the fitting procedure by increasing the sensitivity of the model properties with respect to nonlinear
parameters.

Using identical values for nonlinear parameters of a given type is not a requirement; by default, the
nonlinear parameters are independent. It is interesting to note that the time-temperature equivalence
is advocated for justifying such a choice, although that argument does not formally hold for nonlinear
properties. See Empirical Rules and Principles (p. 198) for details.

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Guidelines for Viscoelastic Models

9.4.4. Relaxation Time vs. Relaxation Spectrum in Extrusion, Fiber Spinning,

and Film Casting
When a large amount of data is available, it can be tempting to build a rheological model involving
a broad relaxation spectrum, even ranging up to 100 s or beyond. In most cases, this will be imprac-
tical and not very useful. Indeed, in a cessation of steady shear flow, measurements reveal that the
relaxation mechanism occurs with a time scale on the order of , where is a typical shear rate
involved in the experiment.

This observation allows for the identification of a typical time scale for the description of mechanisms
occurring in steady flow processes, such as extrusion, fiber spinning, or film casting. An extrusion
flow is characterized by a typical wall shear rate , while fiber spinning and film casting are charac-
terized by a typical elongation rate . Consequently, if a single-mode constitutive equation is selected,
the corresponding relaxation time should be specified as about or , respectively. For a
multi-mode model, the relaxation times should be selected in the vicinity of or , respectively.
This is quite important, since it enables the setup of a model that is in agreement with the typical
time scales involved in the simulation. Note that the previous comments raise questions about the
relevance of Weissenberg numbers as high as 10 or 100.

For most applications, the computational domain is open, with fluid entry and exit. The residence
time of fluid particles in the computational domain usually remains moderate, so extremely long re-
laxation times are not usually effective. Fluid particles trapped in vortices usually do not affect the
main flow; they are instead a consequence of it. Finally, in extrusion, the extruded material solidifies
long before the effects of these long relaxation times become visible.

9.4.5. Relaxation Time vs. Relaxation Spectrum in Blow Molding and Ther-
moforming
Typical time scales for blow molding and thermoforming are rather short: from on the order of a
tenth of a second for a milk bottle, to on the order of a few seconds for a gas tank. Hence, starting
from a reasonable assumed initial rest state, stresses develop within that time interval. Although the
deformation speed (and therefore the strain rate) is usually unknown, deformations remain moderate.
Consequently, dynamic or linear measurements alone provide a good characterization of the melt
for blow molding and thermoforming.

The selected spectrum of the rheological model may, of course, involve very short times and very
long times. Actually, very short time scales (that is, those smaller than the typical process time) can
be replaced by a purely Newtonian contribution. Similarly, long times (that is, much longer than the
process time) probably do not have the opportunity to develop their own contribution to the stress,
and can be omitted, if necessary.

9.4.6. Relaxation Time vs. Relaxation Spectrum in Pressing

Pressing applications are very similar to simple squeeze flows. Typical time scales for pressing applic-
ations are rather short: they range from on the order of a tenth of a second up to a few seconds.
With the exception of rheometric measurements, they depend more or less on the geometrical size
of the melt sample. Hence, starting from an initial rest state, stresses develop within that time interval.
Although the rate of deformation can be large, deformations remain moderate. Consequently, dynamic
or linear measurements alone provide a good characterization of the melt for pressing.

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 Guidelines for Extrusion

The selected spectrum of the rheological model may, of course, involve very short times and very
long times. Actually, very short time scales (that is, those smaller than the typical process time) can
be replaced by a purely Newtonian contribution. Similarly, long times (that is, much longer than the
process time) probably do not have the opportunity to develop their own contribution to the stress,
and can be omitted if necessary.

9.5. Guidelines for Extrusion

Transient and steady-state situations can be considered for 2D viscoelastic extrusion simulations, while
it is reasonable to essentially consider steady-state flow situations in 3D. Transient extrusion processes
are encountered in parison production, while steady-state conditions are met for profile extrusion. The
guidelines in this section focus on steady-state cases.

This section describes the following topics:

9.5.1. Important Effects
9.5.2. Recommended Experimental Data
9.5.3. Recommended Models and Parameters

9.5.1. Important Effects

9.5.1.1. 2D Extrusion
In 2D extrusion flows, swelling at the die exit is caused by both the velocity rearrangement and
the relaxation of the normal stresses. The velocity profile in the channel results mainly from viscous
forces, while the normal stress is a viscoelastic effect connected to the shear rate. The material may
also exhibit properties such as strain thinning and strain hardening, but these effects in extrusion
are negligible.

9.5.1.2. 3D Extrusion
In 3D extrusion flows, the normal-stress difference also plays a role in the swelling, but velocity re-
arrangements in 3D generate much more dramatic effects than in 2D. Indeed, a 3D cross-section
may be such that the resulting velocity distribution is strongly non-uniform. Typically, low velocities
are encountered in narrow cross-sections and tiny details, while high velocities are encountered in
wide-open regions. At the die exit, significant deformations may occur, which usually lead to a
further reduction of the previously narrow cross-sections.

Therefore, more so in 3D than in 2D, an appropriate flow balancing inside the die (based on stresses,
velocity, pressure, and so on) may improve the flow. Finally, as in 2D, the effects of the elongational
properties are negligible, compared to those resulting from velocity rearrangement and normal-
stress difference, and they can therefore be neglected.

9.5.2. Recommended Experimental Data

The linear properties and nonlinear shear viscosity provide good insight into the viscoelastic character
of the material being extruded. Also, if the nonlinear shear viscosity is not available, it can often be
estimated using the Cox-Merz rule [4] (p. 237) or the Gleissle mirror relationship [6] (p. 237) (see Empir-
ical Rules and Principles (p. 198) for details). When feasible, this set of experimental data can be usefully

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Guidelines for Viscoelastic Models

completed with first normal-stress difference data. For most materials, measurement of linear properties
for angular frequencies ranging from 0.01 to 100 rad/s , or perhaps up to 1000 rad/s is achievable. If
you consider a typical wall shear rate in the extrusion process, it is usually included within this range
of measurements. Otherwise, extrapolation should be considered.

For 3D flows, it is practical to select a “computationally light" rheological model, to reduce the com-
putational cost of the Ansys Polyflow simulation. Hence, it is useful to identify a typical shear rate
for the flow, and obtain viscometric data one decade on each side of this shear rate. Doing this impli-
citly reinforces the idea of a constitutive equation for a flow (rather than for a fluid). Consequently
the fitted model for a given shear-rate decade will probably not be the best one for another shear-
rate decade.

9.5.3. Recommended Models and Parameters

Consider the typical wall shear rate in the extrusion process. If a constant viscosity is observed
around , the Maxwell or Oldroyd-B model is recommended. If shear thinning occurs around ,
the PTT or Giesekus model is recommended. If qualitative information on the macromolecular beha-
vior is required, it can also be interesting to consider using the DCPP model.

For filled materials, such as rubber, the Leonov model can also be considered, but the large number
of unknowns involved warns against having unrealistic modeling ambitions.

Both single- and multi-mode models are acceptable for a 2D model, but a single-mode model is
strongly recommended for a 3D model.

For a single-mode model, select a relaxation time on the order of . For a two-mode model, select
one relaxation time < and one > , with no more than one decade between relaxation
times. For a three-mode (or more) model, select relaxation times < and > , with no
more than one decade between relaxation times.

For a strain-hardening material (for example, LDPE), a low value can be specified for the PTT model’s
ε or the Giesekus model’s α. Values of 10-3 to 10-2 are typical. For strain-thinning or moderate strain-
hardening materials (for example, LLDPE or HDPE), a higher value—typically about 0.1—can be spe-
cified. Also, for strain hardening materials, the DCPP model can be used with a large enough value
of q (number of arms).

For the simulation of the flow of filled materials, the use of the Leonov model can be a good idea.
The model involves several parameters, and have received reasonable default values. It is worth
mentioning that the Leonov model involves the calculation of several tensors, and that the use of a
multi-mode model can be computationally expensive.

Finally, for very large flow simulations, it may be relevant to consider the “simplified viscoelastic
model" suggested in Simplified Viscoelastic Model (p. 159), suited for extrusion simulation. Here, the
identification of parameters is based on rheometric information, such as viscosity and swelling versus
the flow rate. Typically, the first normal viscosity equals the shear viscosity by default, while a relaxation
time function and a weighting factor have to be identified in order to reproduce the swelling beha-
vior. That is, a 2D axisymmetric flow simulation is required for parameters identification.

In the automatic fitting procedure, it is preferable to consider the data in the range of shear rates of
interest, typically one decade above and one below. If data extrapolation is necessary, it should be

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 Guidelines for Fiber Spinning

done over no more than one decade. Also, use appropriate weighting factors (see Weighting Measured
Data (p. 186)) if some data are more reliable than others.

The whole shear viscosity curve for the model may differ from measurements at low shear rates, but
this can generally be disregarded. Indeed, low shear rates are encountered only in a few areas of the
flow, and involve usually a fraction of the total flow rate, such that the total impact on the momentum
is negligible.

9.6. Guidelines for Fiber Spinning

Transient and steady-state situations can be considered for 2D viscoelastic fiber-spinning simulations,
while it is reasonable to essentially consider steady-state flow situations in 3D. Fiber spinning is a con-
tinuous process, so primarily steady-state simulations are relevant. The guidelines in this section will
therefore focus on steady-state cases.

This section describes the following topics:

9.6.1. Important Effects
9.6.2. Recommended Experimental Data
9.6.3. Recommended Models and Parameters

9.6.1. Important Effects

9.6.1.1. 2D Fiber Spinning

Several mechanisms are involved in 2D fiber spinning. First, a take-up velocity is assigned at the
end of the computational domain. This velocity leads to significant geometric changes and to the
development of the free surface. A swelling may develop at the die exit, but it is usually not a
critical feature; it is quickly hindered or annihilated by the take-up (pulling) velocity.

The take-up velocity plays a dominant role in the free jet. A transverse velocity gradient exists in
the channel, while the free jet is endowed with an axial velocity gradient. The occurrence of a sig-
nificant strain rate is typical for fiber spinning. Many melts involved in fiber spinning exhibit a more-
or-less pronounced strain-hardening behavior, as this property is known to enhance the stability
of the process.

A moderate take-up velocity is sometimes applied in continuous extrusion processes (for example,
for guiding or stabilizing the extrudate). Here, the draw ratio is close to 1, which means that the
elongation rate involved is often negligible; such cases should not be regarded as fiber spinning.

9.6.1.2. 3D Fiber Spinning

To some extent, 3D fiber spinning combines the effects encountered in 2D fiber spinning with some
of those seen in 3D extrusion. That is, the flow has a strong elongational component due to the
take-up velocity, as well as effects resulting from the velocity rearrangement in the 3D geometry.
This take-up velocity leads to significant geometric changes. A swelling may develop at the die exit,
but it is usually not a critical feature; it is quickly hindered or annihilated by the take-up (pulling)
velocity.

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Guidelines for Viscoelastic Models

The kinematics of 3D fiber spinning involves a transverse velocity gradient in the die, while the
fiber itself is endowed with an axial velocity gradient. Consequently, the aspect ratio of some details
in a cross-section of the fiber may differ significantly from the corresponding aspect ratio found at
the die exit.

9.6.2. Recommended Experimental Data

The elongational viscosity is important, perhaps even more so than the shear viscosity. This property
can be measured for moderate strain rates (usually up to 10 s-1 using an elongational rheometer
equipped with the EVF device), although the material is often processed at a much higher strain rate.
This apparent difficulty can be overcome by considering the following heuristic argument. For a given
melt, all curves of transient uniaxial elongational viscosity follow the same lower linear envelope, up
to a Hencky strain of 1 or 2. It is therefore reasonable to believe that a similar behavior occurs at
higher strain rates, regardless of whether the melt is strain-hardening or strain-thinning. This is a
qualitative extrapolation, which results from a speculative extension of the Gleissle mirror relationship
to the transient elongational viscosity.

The minimum experimental data needed for successful fitting are the linear properties and the non-
linear shear viscosity (possibly obtained from the Cox-Merz rule [4] (p. 237) or the Gleissle mirror rela-
tionship [6] (p. 237); see Empirical Rules and Principles (p. 198) for details). If data for the transient
elongational viscosity are available, they should also be used. When all the properties are available,
you can allocate a low weighting to the shear viscosity and a high weighting to the elongational
properties (as described in Defining Numerical Parameters (p. 64)), since the elongational component
in the fiber is more important.

9.6.3. Recommended Models and Parameters

The PTT and Giesekus models recommended for extrusion are also recommended for fiber spinning.
The Oldroyd-B and Maxwell models are also good choices, especially for highly strain-hardening ma-
terials. Note that the White-Metzner model is not well-suited for fiber spinning because it is not able
to properly model the elongational behavior of polymer melts. If qualitative information on the
macromolecular behavior is required, it can also be interesting to consider using the DCPP model.

Both single- and multi-mode models are acceptable for a 2D model, but a single-mode model is
strongly recommended for a 3D model. For a 2D model, three modes are recommended, with the
relaxation times no more than one decade apart.

The flow involves a typical shear rate in the die and a typical elongation rate in the fiber itself.
Two or more orders of magnitude may exist between these quantities. It is worth mentioning that
the actual deformation in shear evolves linearly with the shear rate, while the actual deformation in
elongation evolves exponentially with the elongation rate. Hence, although numerical values for the
typical shear rate in the die can be larger than the numerical values of the elongation rate in the
fiber, the actual corresponding deformation will be significantly larger in the fiber. Consequently, you
should focus on the elongation character more carefully.

For a single-mode model, select a relaxation time of about . For a multi-mode model, select one
relaxation time < and one > , with no more than one decade between relaxation times.

For a strongly strain-hardening material (for example, LDPE), use a low strain rate with the Maxwell
or Oldroyd-B model, a low value of ε (typically 10-3 to 10-2) with the PTT model, or a low value of α

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 Guidelines for Film Casting

with the Giesekus model (typically 10-3 to 10-2). For strain-thinning or moderate strain-hardening
materials (for example, LLDPE or HDPE), use the PTT or Giesekus model with a higher value—typically
about 0.1 or more—for ε or α. Also, for strain hardening materials, the DCPP model can be used with
a large enough value of q (number of arms). Currently, the Leonov model and the “simplified viscoelast-
ic model" are not recommended for fiber spinning simulations.

If data on elongational viscosity are available, they should be used. If the resulting values for the
nonlinear parameters are not in agreement with the expected behavior of the melt, they can be fixed
as noted in Assigning a Value to a Parameter (p. 186).

In the automatic fitting procedure, it is preferable to consider the data in the range of angular fre-
quencies and shear rates of interest, typically one decade above and one below. If data extrapolation
is necessary, it should be done over no more than one decade. Also, use appropriate weighting factors
(see Weighting Measured Data (p. 186)) if some data are more reliable than others.

The shear viscosity curve for the model may differ from measurements, but this can generally be
disregarded, since elongation is the main component of the flow.

9.7. Guidelines for Film Casting

This section describes the following topics:
9.7.1. Important Effects
9.7.2. Recommended Experimental Data
9.7.3. Recommended Models and Parameters

9.7.1. Important Effects

Film casting processes exhibit features that are very similar to those encountered in fiber spinning
(described in Guidelines for Fiber Spinning (p. 191)). That is, the extension results from a take-up velocity,
which is significantly higher than the velocity at the die exit. An appropriate modeling approach for
film casting in Ansys Polyflow involves the use of a flat membrane element. Such an approach focuses
on the development of the extruded film only, not on the flow inside the die.

9.7.2. Recommended Experimental Data

Elongation is the component that dominates the flow, and a proper description of the elongational
behavior of the material is needed, although draw ratios are usually lower than in fiber spinning. The
comments about experimental data for fiber spinning are valid for film casting as well.

9.7.3. Recommended Models and Parameters

The PTT and Giesekus models recommended for fiber spinning are also recommended for film casting.
The Oldroyd-B model is another acceptable choice, especially for melts characterized by a significant
strain hardening behavior. The DCPP model can also be used, especially if a qualitative description
of the macromolecular behavior is required. The Leonov model, however, is not available for film
casting applications. In addition, the simplified viscoelastic model is not suited for the simulation of
film casting.

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Guidelines for Viscoelastic Models

If no experimental data are available for the elongational viscosity, the nonlinear parameters should
be fixed on the basis of known melt properties. Therefore, for a strain-thinning or weakly strain-
hardening melt, high values for the nonlinear parameters are selected (typically for a PTT
model or for a Giesekus model). For a strain-hardening melt, lower values should be used for
the nonlinear parameters. If the DCPP model is used, a relatively large number of branches ( in
Equation 6.49 (p. 130)) should be considered for strain-hardening materials such as LDPE, while a unit
or low number of branches should be selected for strain-thinning or weakly strain-hardening melts
such as LLDPE.

9.8. Guidelines for Blow Molding and Thermoforming

Any prediction of blow molding or thermoforming is based on a transient calculation. The melt undergoes
deformations in time, and the process conditions (such as the closing speed of the mold and the inflation
pressure) may also vary with time.

In 2D, an axisymmetric geometry is usually used in the Ansys Polyflow calculation, although a planar
description can also be used. Such a representation enables calculation through the thickness, and
therefore prediction of the possible local shear effects. This is also the case when running an actual 3D
calculation. For thin 3D objects in 3D, a membrane element is used, since it allows for calculation of
complex shapes at a moderate cost. This representation is suited for elongation-like deformations, but
is unable to report shear deformations across the thickness.

This section describes the following topics:

9.8.1. Important Effects
9.8.2. Recommended Experimental Data
9.8.3. Recommended Models and Parameters

9.8.1. Important Effects

In blow molding and thermoforming, extension is the dominating component of the deformation.
Extension develops in two main directions, and is accompanied by a reduction in thickness. The
magnitudes of the extensions in the main directions may differ, and they depend on the geometry.
For example, inflating a cylinder involves an azimuthal extension field, while inflating a sphere involves
an isotropic extension field.

Since extension is the main component in this process, knowledge of the extensional response of
the material is usually necessary. However, although the extension rates can be high, the overall de-
formation usually remains moderate. The Hencky strains are typically on the order of 1 or 2, which
correspond to Cauchy strains up to 7.

9.8.2. Recommended Experimental Data

Since the processes involve important strain rates and moderate extensions, knowledge of the transient
linear extensional response is enough for the description of the melt rheology. That is, knowledge of
the linear properties is a good starting point. If extensional data are available, they can be used (either
in the automatic fitting calculation, or for checking the results of the automatic fitting). The extensional
viscosity can be measured for moderate strain rates (usually up to 10 s-1 using an elongational rheo-
meter equipped with the EVF device), although the material is often processed at a much higher
strain rate.

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 Guidelines for Blow Molding and Thermoforming

Although shear is usually not an important component of the total deformation, shear viscosity is
needed in the fitting procedure. This can be obtained from the Cox-Merz rule [4] (p. 237) (see Empirical
Rules and Principles (p. 198)), and can be assigned a zero weight (see Weighting Measured Data (p. 186)).

9.8.3. Recommended Models and Parameters

Several modeling approaches can be considered. The constant-viscosity Newtonian model is the
simplest approach, and this is recommended if no rheological data are available. The use of a gener-
alized Newtonian fluid model should not be considered for blow molding or thermoforming, since
such a model will lead to unrealistically high velocities due to strain thinning.

Further modeling recommendations for 2D and 3D simulations are provided below.

9.8.3.1. 2D and 3D Blow Molding and Thermoforming

In addition to the constant-viscosity Newtonian model, differential viscoelastic models (Maxwell,
Oldroyd-B, PTT, Giesekus, FENE-P, DCPP, and Leonov) are available for blow molding and thermo-
forming. The White-Metzner model is not recommended, in view of the dependence of the rheolo-
gical properties on the local kinematics. Although multi-mode simulations are available, for reasons
of computational cost in Ansys Polyflow, single-mode transient viscoelastic calculations are suggested,
at least in first instance.

The flow involves a typical time scale τ, corresponding to the inflation. The relaxation time should
be of the same order of magnitude as this time scale.

For the viscosity factor, select a value corresponding to the shear viscosity as obtained for a shear
rate of 1/τ.

For a strongly strain-hardening material (for example, LDPE), you can use the Maxwell or Oldroyd-
B model when the strain rate remains moderate. Alternatively, you can use a low value of ε (typically
10–3 to 10–2) with the PTT model, a low value of α with the Giesekus model (typically 10–3 to 10–2),
or a high value of q for the DCPP model. For strain-thinning or moderate strain-hardening materials
(for example, LLDPE or HDPE), use the PTT or Giesekus model with a higher value—typically about
0.1 or more—for ε or α or the DCPP model with a low value of q.

If data on elongational viscosity are available, they should be used. If the resulting values for the
nonlinear parameters are not in agreement with the expected behavior of the melt, they can be
fixed as noted in Assigning a Value to a Parameter (p. 186).

In the automatic fitting procedure, it is preferable to consider the data in the range of angular fre-
quencies and deformation rates of interest, typically one decade above and one below the value
1/τ. If data extrapolation is necessary, it should be done over no more than one decade. Also, use
appropriate weighting factors (see Weighting Measured Data (p. 186)) if some data are more reliable
than others.

A purely Newtonian contribution can be added to the model. This corresponds to that part of the
spectrum associated with very short times, and the response of which is shorter than the process
time τ itself.

The shear viscosity curve for the model may differ from measurements, but this can generally be
disregarded, since elongation is the main component of the flow.

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Guidelines for Viscoelastic Models

9.8.3.2. Blow Molding and Thermoforming with Shell Models

For computational reasons, the use of the shell element (membrane element) is recommended for
blow molding or thermoforming simulations that involve objects that are thin and have geometrically
complex shapes. In addition to the constant-viscosity Newtonian model, the integral viscoelastic
KBKZ model with a relaxation spectrum is also a good choice when a Lagrangian representation is
used. No damping (that is, the Lodge-Maxwell model) is needed, due to the moderate deformations
involved in the process. The Lodge-Maxwell model predicts strain hardening up to a level that is
experimentally observed.

Based on the oscillatory properties, a spectrum of 4 to 8 relaxation times is recommended. If you

use a low number of relaxation times, they should be selected around the typical process (inflation)
time τ. If you use a high number of relaxation times, they can spread to values as short as 10–4 and
as long as 104 s.

Oscillatory data should be considered in the range of angular frequencies as covered by the range
of reciprocal relaxation times. Viscosity factors should be identified on the basis of linear properties,
as well as on the basis of the shear viscosity (possibly with a zero weighting).

If data on elongational viscosity are available, they should be used. If the resulting values for the
nonlinear parameters are not in agreement with the expected behavior of the melt, they can be
fixed as noted in Assigning a Value to a Parameter (p. 186).

A purely Newtonian contribution can be added to the model. This corresponds to that part of the
spectrum associated with very short times, and the response of which is shorter than the process
time τ itself.

The shear viscosity curve for the model may differ from measurements, but this can generally be
disregarded, since elongation is the main component of the flow.

9.9. Guidelines for Pressing

Any prediction of pressing is based on a transient calculation. The melt undergoes deformations in time
in the same manner as a simple squeeze flow. The process conditions (such as mold or plug motion)
may also vary with time.

In terms of geometry, 2D planar, axisymmetric, and 3D modeling can be employed in the Ansys Polyflow
calculation. Such a representation enables a calculation through the thickness, and therefore it is possible
to predict the local shear effects, as well as the elongation effects. For the former, 2D modeling can
certainly make sense from a computational point of view.

This section describes the following topics:

9.9.1. Important Effects
9.9.2. Recommended Experimental Data
9.9.3. Recommended Models and Parameters

9.9.1. Important Effects

In pressing, shear is the dominating component of the deformation, but it is often accompanied by
a significant level of extension. The balance between shear and extension depends on the geometry,

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 Guidelines for Pressing

as well as on the boundary conditions. For example, shear will often dominate under the adhesion
condition, while elongation may play a significant role under full slipping.

Since shear is often the main deformation component that develops in this process, knowledge of
the shear viscosity of the material is necessary. While shear rates can be high, the overall deformation
usually remains moderate. A Cauchy strain of the order of ten is a reasonable order of magnitude.

9.9.2. Recommended Experimental Data

Since the processes are so affected by shear rates, obtaining information about the shear viscosity is
the first step. Data acquisition via a direct capillary measurement is a good idea, although other
techniques are acceptable. Linear properties and elongation data can also be used (either in the
automatic fitting calculation or for checking the results of the automatic fitting), if they are available.

The extensional viscosity can be measured for moderate strain rates, usually up to 10 s-1 using an
elongational rheometer equipped with the Extensional Viscosity Fixture (EVF).

9.9.3. Recommended Models and Parameters

As a first comment, it is worth noting that kinematic constraints imposed in the process do not really
enable a full development of viscoelastic effects.

Several modeling approaches can be considered. The constant-viscosity Newtonian and generalized
Newtonian models are the simplest approaches, and these are recommended when only the viscosity
data is available. The generalized Newtonian fluid model is an obvious choice, because shear is an
important component of the flow.

In addition to the Newtonian and generalized Newtonian models, differential viscoelastic models
(Maxwell, Oldroyd-B, PTT, Giesekus, FENE-P, DCPP, and Leonov) are all good candidates for pressing
simulations. Generally, the White-Metzner model is not recommended, because the rheological
properties are dependent on the local kinematics in this model. Although multi-mode simulations
are available, single mode transient viscoelastic calculations are recommended (at least in first instance)
because of the computational cost in Ansys Polyflow.

The flow involves a typical time scale corresponding to the pressing. The relaxation time should be
of the same order of magnitude as this time scale. For the viscosity factor, select a value corresponding
to the shear viscosity, as obtained for a shear rate that is typical for the process.

For a strongly strain-hardening material (for example, LDPE), you can use the Maxwell or Oldroyd-B
model, as long as the strain rate remains relatively low and therefore prevents the development of
high stresses. Alternatively, if you use the PTT or the Giesekus model, you should consider specifying
a low value for or , respectively: typically, between 10-3 to 10-2. You can also use the DCPP model
with a large number of branches ( ). For filled materials, the Leonov model could be recommended,
although it is computationally expensive.

You can use data on the elongational viscosity if it is available. If the resulting values for the nonlinear
parameters are not in agreement with the expected behavior of the melt, they can be fixed as noted
in Assigning a Value to a Parameter (p. 186).

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Guidelines for Viscoelastic Models

9.10. Empirical Rules and Principles

It is often helpful during fitting to be able to estimate property values when experimental data is un-
available. For some materials, there are rules that link properties together; such rules are often empirical
and must be handled with care, as there is no theoretical proof that validates their results. Frequently,
these rules are applicable to polymer melts, such as polyethylenes and polystyrenes.

For information about some empirical rules and principles, see the following sections:
9.10.1. Cox-Merz Rule
9.10.2. Gleissle Mirror Relationships
9.10.3. First Normal Stress Difference Relationships
9.10.4.Time-Temperature Equivalence

9.10.1. Cox-Merz Rule

For many materials, linear data and is relatively easy to measure for various angular frequencies
(rad/s). When applicable, the shear viscosity can be estimated by applying the Cox-Merz [4] (p. 237)
empirical rule. This empirical rule states that the modulus of the complex viscosity matches the non-
linear shear viscosity, as shown in the following equation.
(9.2)

A Cox-Merz rule also exists for the first normal stress difference; it is an approximation for low shear
rates and is written as follows:
(9.3)

9.10.2. Gleissle Mirror Relationships

When performing a shear startup experiment for several values of the shear rate, you measure the
shear stress as a function of time; the transient shear viscosity is obtained as the ratio of the shear
stress and the (constant) shear rate. In general, the measured curves exhibit an initial development
of the transient viscosity that matches the linear behavior , and subsequently departs from the
linear response. The departure from the linear response is delayed when a low shear rate is considered.

The Gleissle mirror relationship [6] (p. 237) is empirical and relates the linear transient viscosity,
with the nonlinear steady shear viscosity, as follows:
(9.4)

That is, there is a graphical mirror relationship between the transient shear viscosity and the nonlinear
steady shear viscosity. This relationship has been observed for oils, as well as polymeric melts such
as polyisobutylenes and polyethylenes. It also provides a useful tool for validating measurements
obtained via various techniques.

A second Gleissle mirror relationship concerns the first normal stress coefficient, . It is given
by:
(9.5)

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 Empirical Rules and Principles

Here again, there is a graphical mirror relationship between the transient first normal stress coefficient
and the corresponding nonlinear steady property.

When necessary, it may be possible to extend the Gleissle mirror relationship for obtaining preliminary
information on the transient elongation viscosity.
(9.6)

9.10.3. First Normal Stress Difference Relationships

The Cox-Merz rule for the first normal stress difference is only valid for a limited range of shear rates.
Laun [7] (p. 237) has proposed an empirical rule that is valid over a larger interval of shear rates, and
is given by the following:

(9.7)

Equation 9.7 (p. 199) is found to be valid for polyethylenes. Similar relationships can be created for
other families of polymers.

Using an elastic recoil mechanism, Tanner [11] (p. 237) proposed a simple expression that relates the
extrudate diameter to the first normal stress difference, as follows:

(9.8)

where and are the diameters of the extrudate and of the die, respectively, and is the
wall shear stress in the capillary die.

9.10.4. Time-Temperature Equivalence

Time-temperature equivalence (or superposition) can be applied, for example, in the measurements
of linear properties and . Usually, devices allow a measurement within a given interval of angular
frequencies. However, when performing measurements at different temperatures, it is possible to
expand the interval of angular frequencies. If the relationship between linear properties and temper-
ature is unknown, it is reasonable to assume that the dependence is the same for and . Hence
the ratio , when plotted against the angular frequency, will typically have the same
shape for different temperatures, though the curves will shift along the horizontal axis. That is, an
experiment performed at a lower temperature corresponds to an experiment at a higher temperature
within a higher interval of angular frequencies. You can then combine the data by shifting the curves
and thereby expand the interval of angular frequencies, possibly beyond the technological limits of
the measurement device. Simultaneously, the identification of the corresponding shift factor will
characterize the dependence with respect to temperature for subsequent analysis; this is relevant,
for example, for the complex viscosity. It is therefore possible to acquire information on the temper-
ature dependence of the properties, as well as to expand the knowledge of linear properties.

To illustrate how time-temperature equivalence can be used, consider the following figure, which
shows the measurement of linear properties (thick lines) and (thin lines) for angular frequencies
ranging from 10–2 to 102. The data is measured at four temperatures, represented here in black, blue,
magenta, and red.

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Guidelines for Viscoelastic Models

Figure 9.1: G' and G" vs. Angular Frequency [rad/s]

The next figure shows the properties , for each temperature ranging from black to red.
The blue temperature is the reference temperature that will be used to build the master curves.

Figure 9.2: G"/G' vs. Angular Frequency [rad/s]

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 Empirical Rules and Principles

The curves from the previous figure can be combined into a single curve, as shown in the following
figure. The black curve is shifted to the right, while the magenta and red curves are shifted to the
left; the shift factors are kept for further evaluation of the temperature dependence of the properties.
Combining these four curves into the dashed line enables you to expand the interval of angular fre-
quencies.

Figure 9.3: Combining G"/G' Curves

The shift factors obtained in the previous step can be applied to the linear properties and , in
order to obtain the master curves in the figure that follows.

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Guidelines for Viscoelastic Models

Figure 9.4: Master Curves for G' and G" vs. Angular Frequency [rad/s]

The applicability of the time-temperature equivalence depends on the material considered, and is
affected by the actual temperature dependence of the properties. Experience and specialized literature
can provide further information.

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Chapter 10: Examples
This chapter presents four examples of fitting for different types of models.
10.1. Example 1: Non-Isothermal Generalized Newtonian Model
10.2. Example 2: Non-Isothermal Differential Viscoelastic Model
10.3. Example 3: Non-Isothermal Integral Viscoelastic Model
10.4. Example 4: Isothermal Differential Viscoelastic Model

10.1. Example 1: Non-Isothermal Generalized Newtonian Model

In this example, the automatic method will be used to perform fitting for a Carreau-Yasuda fluid with
experimental data curves of shear viscosity vs. shear rate at four different temperatures. The Carreau-
Yasuda law has been chosen for its plateau zone at low shear rates and its controllable transition zone.

For temperature dependence, the Arrhenius shear-stress law has been chosen for its vertical and hori-
zontal shifts. is fixed at 240°C; it is recommended that you set it to one of the temperatures at which
experimental data were measured, close to the average of those temperatures. Since the experimental
data are based on degrees Celsius, is set to , as required for proper scaling.

10.1.1. Experimental Data

Experimental data for shear viscosity vs. shear rate are as follows:

• temp_200.crv (viscosity vs. shear rate at 220° C):

60.1 497
131 336
315 198
767 110
1750 59.9
4100 31.3
9870 15.8
19700 9.02

• temp_220.crv (viscosity vs. shear rate at 220° C):

58.8 381
125 274
299 169
723 98.3
1620 55.9
3910 29.2
9180 15.3
18400 8.97

• temp_240.crv (viscosity vs. shear rate at 240° C):

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Examples

56.5 287
121 211
286 137
643 90.3
1510 51.6
3750 26.8
8850 14.1
17700 8.39

• temp_260.crv (viscosity vs. shear rate at 260° C):

56.8 228
117 171
269 121
654 77.1
1470 46.3
3590 24.9
8570 13.2
17100 7.9

The files for these data curves are provided on the Ansys Polyflow product CD, in the test/poly-
mat/example1 subdirectory.

10.1.2. Fitting Procedure in Ansys Polymat

Start Ansys Polymat by typing polymat. Then follow the procedure below to perform the fitting for
the data presented in Experimental Data (p. 203).

10.1.2.1. Step 1: Define the Fluid Model Type

Select Fluid Model

1. Choose a Generalized Newtonian non-isothermal model.

Generalized Newtonian non-isothermal model

2. Return to the top-level menu.

10.1.2.2. Step 2: Specify the Material Data Models and Fix Parameters

Material Data

1. Specify the shear-rate dependence.

Shear-rate dependence of viscosity

a. Select the Carreau-Yasuda law.

Carreau-Yasuda law

b. Return to the Material Data menu.

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 Example 1: Non-Isothermal Generalized Newtonian Model

2. Specify the temperature dependence.

Temperature dependence of viscosity

a. Select the Arrhenius shear stress law.

Arrhenius shear stress law

b. Enable the fixing of parameters.

i. Click the Fix button at the top of the Ansys Polymat menu.

ii. Click OK to confirm that fixing is enabled.

c. Fix the value of to be 240.

i. Specify .

Modify talfa

ii. Specify that is fixed.

talfa is a fixed value

iii. Return to the Arrhenius shear stress law menu.

d. Fix the value of to be .

i. Specify .

Modify t0

ii. Specify that is fixed.

t0 is a fixed value

iii. Return to the Arrhenius shear stress law menu.

e. Disable the fixing of parameters.

i. Click the Fix button at the top of the Ansys Polymat menu.

ii. Click OK to confirm that fixing is disabled.

f. Return to the top-level Ansys Polymat menu.

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Examples

10.1.2.3. Step 3: Read in and Draw the Experimental Data Curves

1. Enter the Automatic Fitting menu.

Automatic fitting

2. Enter the List of Experimental Curves menu.

Add experimental curves

3. Add the first experimental curve (temp_200.crv).

Add a new curve

a. Select the curve named temp_200.crv.

Enter the name of the curve file

b. Set the reference temperature to 200.

Modify the temperature

c. Return to the List of Experimental Curves menu.

4. Add the second experimental curve (temp_220.crv).

Add a new curve

a. Select the curve named temp_220.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Return to the List of Experimental Curves menu.

5. Repeat to add the third and fourth experimental curves (temp_240.crv and temp_260.crv)
and set the appropriate reference temperatures.

6. Return to the Automatic Fitting menu.

7. Plot the four experimental data curves.

Draw experimental curves

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 Example 1: Non-Isothermal Generalized Newtonian Model

10.1.2.4. Step 4: Run the Fitting Calculation

1. Specify a name for the material data file (for example, example1.mat).

Enter the name of the result file

2. Start the fitting calculation.

Run fitting

10.1.2.5. Results
The results of the fitting calculation are as follows:
RESULTS

Carreau-Yasuda law

f(g) = facinf + (fac-facinf) *

[1+(tnat*g)**expoa]**((expo-1)/expoa)

fac = 0.6793715E+03 [auto]

tnat = 0.9776775E-02 [auto]
expo = 0.1625742E+00 [auto]
facinf = 0.9628370E-04 [auto]
expoa = 0.5421551E+00 [auto]

Arrhenius shear stress law

h(t) = exp( alfa / (t-t0) - alfa / (talfa-t0) )

alfa = 0.5559034E+04 [auto]

talfa = 0.2400000E+03 [fixed]
t0 = -0.2731500E+03 [fixed]

The computed and experimental curves are shown in Figure 10.1: Plot of Computed and Experimental
Curves (p. 208).

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Examples

Figure 10.1: Plot of Computed and Experimental Curves

10.2. Example 2: Non-Isothermal Differential Viscoelastic Model

In this example, the automatic method will be used to perform fitting for a non-isothermal differential
viscoelastic model with experimental data curves of shear viscosity vs. shear rate at three different
temperatures, plus data curves for the storage and loss moduli.

The Giesekus model has been chosen according to fitting guidelines for a 2D extrusion simulation where
shear thinning is desired (see Recommended Models and Parameters (p. 190)). Three relaxation times
are used to fit the experimental curves properly, since multiple relaxation times are computationally
affordable for 2D extrusion. The relaxation times are set automatically by Ansys Polymat to cover the
whole range of experimental data. The large relaxation time that Ansys Polymat computes is useful only
for low-shear-rate flows (up to 0.1 s ) with a long residence time (10 to 100 s). The viscosity ratio is
set to zero for all relaxation modes, except for the first mode where it will be computed automatically
by Ansys Polymat.

For temperature dependence, the standard Arrhenius law has been chosen. is automatically set to
220° C, which is one of the temperatures at which experimental data were measured, close to the average
of those temperatures. Since the experimental data are based on degrees Celsius, is set to ,
as required for proper scaling.

10.2.1. Experimental Data

Experimental data for shear viscosity vs. shear rate are as follows:

• visco_200.crv (viscosity vs. shear rate at 200° C):

1.0476158e-01 4.7409219e+04
1.2618569e-01 4.6221703e+04
1.5199111e-01 4.4989727e+04
1.8307383e-01 4.3684172e+04
2.2051308e-01 4.2269406e+04
2.6560879e-01 4.0711258e+04

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 Example 2: Non-Isothermal Differential Viscoelastic Model

3.1992671e-01 3.8987227e+04
3.8535285e-01 3.7095207e+04
4.6415886e-01 3.5058137e+04
5.5908102e-01 3.2921125e+04
6.7341506e-01 3.0742695e+04
8.1113082e-01 2.8582736e+04
9.7700995e-01 2.6492119e+04
1.1768119e+00 2.4505934e+04
1.4174742e+00 2.2641396e+04
1.7073526e+00 2.0899119e+04
2.0565124e+00 1.9267033e+04
2.4770765e+00 1.7725678e+04
2.9836473e+00 1.6254397e+04
3.5938139e+00 1.4836971e+04
4.3287611e+00 1.3465704e+04
5.2140083e+00 1.2142567e+04
6.2802911e+00 1.0877272e+04
7.5646334e+00 9.6834766e+03
9.1116276e+00 8.5747520e+03
1.0974989e+01 7.5614922e+03
1.3219412e+01 6.6494995e+03
1.5922827e+01 5.8398315e+03
1.9179104e+01 5.1295151e+03
2.3101297e+01 4.5126445e+03
2.7825592e+01 3.9814446e+03
3.3516029e+01 3.5272209e+03
4.0370174e+01 3.1410603e+03
4.8626015e+01 2.8143108e+03
5.8570202e+01 2.5388992e+03
7.0548027e+01 2.3074878e+03
8.4975342e+01 2.1135415e+03
1.0235312e+02 1.9513297e+03

• visco_220.crv (viscosity vs. shear rate at 220° C):

1.0476158e-01 3.2600383e+04
1.2618569e-01 3.1866336e+04
1.5199111e-01 3.1115115e+04
1.8307383e-01 3.0347666e+04
2.2051308e-01 2.9555596e+04
2.6560879e-01 2.8722006e+04
3.1992671e-01 2.7824447e+04
3.8535285e-01 2.6839762e+04
4.6415886e-01 2.5750273e+04
5.5908102e-01 2.4550127e+04
6.7341506e-01 2.3249219e+04
8.1113082e-01 2.1873061e+04
9.7700995e-01 2.0457902e+04
1.1768119e+00 1.9043281e+04
1.4174742e+00 1.7664730e+04
1.7073526e+00 1.6348507e+04
2.0565124e+00 1.5109322e+04
2.4770765e+00 1.3950688e+04
2.9836473e+00 1.2866907e+04
3.5938139e+00 1.1846350e+04
4.3287611e+00 1.0875361e+04
5.2140083e+00 9.9421738e+03
6.2802911e+00 9.0399053e+03
7.5646334e+00 8.1679702e+03
9.1116276e+00 7.3314004e+03
1.0974989e+01 6.5386035e+03
1.3219412e+01 5.7986880e+03
1.5922827e+01 5.1192021e+03
1.9179104e+01 4.5048770e+03
2.3101297e+01 3.9573066e+03
2.7825592e+01 3.4752805e+03
3.3516029e+01 3.0554553e+03
4.0370174e+01 2.6930635e+03
4.8626015e+01 2.3825698e+03
5.8570202e+01 2.1181692e+03

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Examples

7.0548027e+01 1.8941488e+03
8.4975342e+01 1.7051194e+03
1.0235312e+02 1.5461493e+03

• visco_240.crv (viscosity vs. shear rate at 240° C):

1.0476158e-01 2.2935412e+04
1.2618569e-01 2.2492188e+04
1.5199111e-01 2.2018766e+04
1.8307383e-01 2.1526125e+04
2.2051308e-01 2.1021365e+04
2.6560879e-01 2.0505982e+04
3.1992671e-01 1.9975033e+04
3.8535285e-01 1.9417773e+04
4.6415886e-01 1.8819420e+04
5.5908102e-01 1.8164182e+04
6.7341506e-01 1.7439488e+04
8.1113082e-01 1.6640199e+04
9.7700995e-01 1.5771608e+04
1.1768119e+00 1.4849731e+04
1.4174742e+00 1.3898310e+04
1.7073526e+00 1.2944033e+04
2.0565124e+00 1.2011361e+04
2.4770765e+00 1.1118893e+04
2.9836473e+00 1.0277535e+04
3.5938139e+00 9.4904971e+03
4.3287611e+00 8.7546172e+03
5.2140083e+00 8.0624219e+03
6.2802911e+00 7.4047461e+03
7.5646334e+00 6.7733594e+03
9.1116276e+00 6.1631475e+03
1.0974989e+01 5.5731948e+03
1.3219412e+01 5.0064775e+03
1.5922827e+01 4.4684849e+03
1.9179104e+01 3.9653857e+03
2.3101297e+01 3.5024512e+03
2.7825592e+01 3.0831277e+03
3.3516029e+01 2.7087434e+03
4.0370174e+01 2.3787000e+03
4.8626015e+01 2.0908918e+03
5.8570202e+01 1.8422029e+03
7.0548027e+01 1.6289486e+03
8.4975342e+01 1.4472250e+03
1.0235312e+02 1.2931675e+03

Experimental data for the storage and loss moduli ( and ) are as follows:

• gprime.crv ( vs. angular frequency curve at 220° C):

1.0000000e-01 5.9316000e+02
1.5850000e-01 1.1784000e+03
2.5120000e-01 2.2076000e+03
3.9810000e-01 3.9173000e+03
6.3100000e-01 6.5593000e+03
1.0000000e+00 1.0419000e+04
1.5850000e+00 1.5724000e+04
2.5120000e+00 2.2596000e+04
3.9813000e+00 3.1232000e+04
6.3101000e+00 4.1570000e+04
1.0001000e+01 5.3470000e+04
1.5850000e+01 6.6881000e+04
2.5121000e+01 8.1509000e+04
3.9813000e+01 9.7119000e+04
6.3101000e+01 1.1352000e+05
1.0000000e+02 1.3036000e+05

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 Example 2: Non-Isothermal Differential Viscoelastic Model

• gsecond.crv ( vs. angular frequency curve at 220° C):

to be replaced by :
1.0000000e-01 3.2158000e+03
1.5850000e-01 4.7820000e+03
2.5120000e-01 6.9325000e+03
3.9810000e-01 9.7403000e+03
6.3100000e-01 1.3239000e+04
1.0000000e+00 1.7346000e+04
1.5850000e+00 2.2001000e+04
2.5120000e+00 2.7050000e+04
3.9813000e+00 3.2279000e+04
6.3101000e+00 3.7352000e+04
1.0001000e+01 4.2321000e+04
1.5850000e+01 4.6851000e+04
2.5121000e+01 5.1123000e+04
3.9813000e+01 5.5108000e+04
6.3101000e+01 5.9097000e+04
1.0000000e+02 6.3270000e+04

The files for these data curves are provided on the Ansys Polyflow product CD, in the test/poly-
mat/example2 subdirectory.

10.2.2. Fitting Procedure in Ansys Polymat

Start Ansys Polymat by typing polymat. Then follow the procedure below to perform the fitting for
the data presented in Experimental Data (p. 208).

Note that the fitting calculation for this example will take longer than for the generalized Newtonian
example in Example 1: Non-Isothermal Generalized Newtonian Model (p. 203), due to the added
complexity of the model.

10.2.2.1. Step 1: Define the Fluid Model Type

Select Fluid Model

1. Choose a Differential non-isothermal viscoelastic model.

Differential non-isothermal viscoelastic model

2. Return to the top-level menu.

10.2.2.2. Step 2: Specify the Material Data Models and Fix Parameters

Material Data

1. Specify the temperature dependence.

Temperature dependence of viscosity

a. Select the Arrhenius law.

Arrhenius law

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Examples

b. Enable the fixing of parameters.

i. Click the Fix button at the top of the Ansys Polymat menu.

ii. Click OK to confirm that fixing is enabled.

c. Fix the value of to be .

i. Specify .

Modify t0

ii. Specify that is fixed.

t0 is a fixed value

iii. Return to the Arrhenius law menu.

d. Disable the fixing of parameters.

i. Click the Fix button at the top of the Ansys Polymat menu.

ii. Click OK to confirm that fixing is disabled.

e. Return to the Material Data menu.

2. Specify the differential viscoelastic models.

Differential viscoelastic models

a. Specify the differential viscoelastic model for the first relaxation mode and fix parameters.

1-st viscoelastic model

i. Select the Giesekus model.

Giesekus model

ii. Accept the current values.

iii. Return to the Differential viscoelastic models menu.

b. Specify the differential viscoelastic model for the second relaxation mode.

Addition of a viscoelastic model

i. Select the Giesekus model.

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 Example 2: Non-Isothermal Differential Viscoelastic Model

Giesekus model

ii. Accept the current values.

iii. Return to the Differential viscoelastic models menu.

c. Specify the differential viscoelastic model for the third relaxation mode and fix parameters.

Addition of a viscoelastic model

i. Select the Giesekus model.

Giesekus model

ii. Accept the current values.

iii. Return to the Differential viscoelastic models menu.

3. Return to the top-level Ansys Polymat menu.

10.2.2.3. Step 3: Read in and Draw the Experimental Data Curves

1. Enter the Automatic Fitting menu.

Automatic fitting

2. Enter the List of Experimental Curves menu.

Add experimental curves

3. Add the first experimental curve (visco_200.crv).

Add a new curve

a. Select the curve named visco_200.crv.

Enter the name of the curve file

b. Set the reference temperature to 200.

Modify the temperature

c. Specify that the curve is a shear viscosity curve.

Modify the curve type

i. Choose steady shear viscosity (the default).

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Examples

steady shear viscosity

ii. Return to the List of Experimental Curves menu.

4. Add the second experimental curve (visco_220.crv).

Add a new curve

a. Select the curve named visco_220.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Specify that the curve is a shear viscosity curve.

Modify the curve type

i. Choose steady shear viscosity (the default).

steady shear viscosity

ii. Return to the List of Experimental Curves menu.

5. Repeat to add the third shear viscosity curve (visco_240.crv) and set the appropriate ref-
erence temperature and curve type.

6. Add the storage modulus curve (gprime.crv).

Add a new curve

a. Select the curve named gprime.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Specify that the curve is a storage modulus curve.

Modify the curve type

i. Choose storage modulus G’.

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 Example 2: Non-Isothermal Differential Viscoelastic Model

storage modulus G’

ii. Return to the List of Experimental Curves menu.

7. Add the loss modulus curve (gsecond.crv).

Add a new curve

a. Select the curve named gsecond.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Specify that the curve is a loss modulus curve.

Modify the curve type

i. Choose loss modulus G".

loss modulus G"

ii. Return to the List of Experimental Curves menu.

8. Return to the Automatic Fitting menu.

9. Plot the five experimental data curves.

Draw experimental curves

10.2.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation
1. Set the numerical parameters for the calculation.

Numerical options for fitting

a. Limit the range of relaxation times to be from a minimum of 0.1 to a maximum of 10.

Modify the range of relaxation times

b. Return to the Automatic Fitting menu.

2. Specify a name for the material data file (for example, example2.mat).

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Examples

Enter the name of the result file

3. Start the fitting calculation.

Run fitting

10.2.2.5. Results
The results of the fitting calculation are as follows:
RESULTS

nb. of modes = 3

mode # 1 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D
where - visc is the viscosity
- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.8395177E+04 [auto]

trelax = 0.1000000E+00 [auto]
alfa = 0.5175758E+00 [auto]
ratio = 0.8191842E-01 [auto]

mode # 2 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D
where - visc is the viscosity
- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.1901750E+05 [auto]

trelax = 0.1000000E+01 [auto]
alfa = 0.6759477E+00 [auto]
ratio = 0.0000000E+00 [fixed]

mode # 3 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D

where - visc is the viscosity

- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.9246148E+04 [auto]

trelax = 0.1000000E+02 [auto]
alfa = 0.3902228E+00 [auto]
ratio = 0.0000000E+00 [fixed]

Arrhenius law
h(t) = exp( alfa / (t-t0) - alfa / (talfa-t0) )

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 Example 3: Non-Isothermal Integral Viscoelastic Model

alfa = 0.5019328E+04 [auto]

talfa = 0.2200000E+03 [auto]
t0 = -0.2731500E+03 [fixed]

The computed and experimental curves are shown in Figure 10.2: Plot of Computed and Experimental
Curves (p. 217).

Figure 10.2: Plot of Computed and Experimental Curves

10.3. Example 3: Non-Isothermal Integral Viscoelastic Model

In this example, the automatic method will be used to perform fitting for an integral viscoelastic model
with experimental data curves of shear viscosity vs. shear rate at three different temperatures, plus data
curves for the storage and loss moduli.

The KBKZ model with 4 relaxation times will be used with the reversible PSM damping function. For
temperature dependence, the Arrhenius approximate law will be used. Ansys Polymat will automatically
set the value of to 220° C, since this is the average temperature of the viscosity curves.

For the fitting calculation, the range of relaxation times will be limited to between 0.1 and 10.

10.3.1. Experimental Data

Experimental data for shear viscosity vs. shear rate are as follows:

• visco_200.crv (viscosity vs. shear rate at 200° C):

1.0476158e-01 4.7409219e+04
1.5199111e-01 4.4989727e+04
2.2051308e-01 4.2269406e+04

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Examples

3.1992671e-01 3.8987227e+04
4.6415886e-01 3.5058137e+04
6.7341506e-01 3.0742695e+04
9.7700995e-01 2.6492119e+04
1.4174742e+00 2.2641396e+04
2.0565124e+00 1.9267033e+04
2.9836473e+00 1.6254397e+04
4.3287611e+00 1.3465704e+04
6.2802911e+00 1.0877272e+04
9.1116276e+00 8.5747520e+03
1.3219412e+01 6.6494995e+03
1.9179104e+01 5.1295151e+03
2.7825592e+01 3.9814446e+03
4.0370174e+01 3.1410603e+03
5.8570202e+01 2.5388992e+03
8.4975342e+01 2.1135415e+03

• visco_220.crv (viscosity vs. shear rate at 220° C):

1.0476158e-01 3.2600383e+04
1.5199111e-01 3.1115115e+04
2.2051308e-01 2.9555596e+04
3.1992671e-01 2.7824447e+04
4.6415886e-01 2.5750273e+04
6.7341506e-01 2.3249219e+04
9.7700995e-01 2.0457902e+04
1.4174742e+00 1.7664730e+04
2.0565124e+00 1.5109322e+04
2.9836473e+00 1.2866907e+04
4.3287611e+00 1.0875361e+04
6.2802911e+00 9.0399053e+03
9.1116276e+00 7.3314004e+03
1.3219412e+01 5.7986880e+03
1.9179104e+01 4.5048770e+03
2.7825592e+01 3.4752805e+03
4.0370174e+01 2.6930635e+03
5.8570202e+01 2.1181692e+03
8.4975342e+01 1.7051194e+03

• visco_240.crv (viscosity vs. shear rate at 240° C):

1.0476158e-01 2.2935412e+04
1.5199111e-01 2.2018766e+04
2.2051308e-01 2.1021365e+04
3.1992671e-01 1.9975033e+04
4.6415886e-01 1.8819420e+04
6.7341506e-01 1.7439488e+04
9.7700995e-01 1.5771608e+04
1.4174742e+00 1.3898310e+04
2.0565124e+00 1.2011361e+04
2.9836473e+00 1.0277535e+04
4.3287611e+00 8.7546172e+03
6.2802911e+00 7.4047461e+03
9.1116276e+00 6.1631475e+03
1.3219412e+01 5.0064775e+03
1.9179104e+01 3.9653857e+03
2.7825592e+01 3.0831277e+03
4.0370174e+01 2.3787000e+03
5.8570202e+01 1.8422029e+03
8.4975342e+01 1.4472250e+03

Experimental data for the storage and loss moduli ( and ) are as follows:

• gprime.crv ( vs. angular frequency curve at 220° C):

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 Example 3: Non-Isothermal Integral Viscoelastic Model

0.1 593.16
0.1585 1178.4
0.2512 2207.6
0.3981 3917.3
0.631 6559.3
1 10419
1.585 15724
2.512 22596
3.9813 31232
6.3101 41570
10.001 53470
15.85 66881
25.121 81509
39.813 97119
63.101 113520
100 130360

• gsecond.crv ( vs. angular frequency curve at 220° C):

0.1 3215.8
0.1585 4782
0.2512 6932.5
0.3981 9740.3
0.631 13239
1 17346
1.585 22001
2.512 27050
3.9813 32279
6.3101 37352
10.001 42321
15.85 46851
25.121 51123
39.813 55108
63.101 59097
100 63270

The files for these data curves are provided on the Ansys Polyflow product CD, in the test/poly-
mat/example3 subdirectory.

10.3.2. Fitting Procedure in Ansys Polymat

Start Ansys Polymat by typing polymat. Then follow the procedure below to perform the fitting for
the data presented in Experimental Data (p. 217).

Note that the fitting calculation for this example will take longer than for the generalized Newtonian
example in Example 1: Non-Isothermal Generalized Newtonian Model (p. 203), due to the added
complexity of the model.

10.3.2.1. Step 1: Define the Fluid Model Type

Select Fluid Model

1. Choose an Integral non-isothermal viscoelastic model.

Integral non-isothermal viscoelastic model

2. Return to the top-level menu.

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Examples

10.3.2.2. Step 2: Specify the Material Data Models and Fix Parameters

Material Data

1. Enter the Integral Viscoelastic models menu.

Integral Viscoelastic models

2. Specify the temperature dependence.

Temperature dependence

a. Select the Arrhenius approximate law.

Arrhenius approximate law

b. Return to the Integral Viscoelastic models menu.

3. Specify the number of relaxation modes.

Modify the spectrum

a. Set the number of relaxation modes to 4.

Number of relaxation modes

b. Return to the Integral Viscoelastic models menu.

No modification

4. Specify the damping function.

Modify the damping function

a. Select the Reversible Papanastasiou-Scriven model.

Reversible Papanastasiou-Scriven model

b. Select the Modify alfa and Modify beta menu items, and keep the default values for
each. (This step is necessary so that Ansys Polymat will not remind you that you need to
set or confirm those values by selecting the menu items.)

c. Return to the Integral Viscoelastic models menu.

5. Return to the top-level Ansys Polymat menu.

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 Example 3: Non-Isothermal Integral Viscoelastic Model

10.3.2.3. Step 3: Read in and Draw the Experimental Data Curves

1. Enter the Automatic Fitting menu.

Automatic fitting

2. Enter the List of Experimental Curves menu.

Add experimental curves

3. Add the first experimental curve (visco_200.crv).

Add a new curve

a. Select the curve named visco_200.crv.

Enter the name of the curve file

b. Set the reference temperature to 200.

Modify the temperature

c. Specify that the curve is a shear viscosity curve.

Modify the curve type

i. Choose steady shear viscosity (the default).

steady shear viscosity

ii. Return to the List of Experimental Curves menu.

4. Add the second experimental curve (visco_220.crv).

Add a new curve

a. Select the curve named visco_220.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Specify that the curve is a shear viscosity curve.

Modify the curve type

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Examples

i. Choose steady shear viscosity (the default).

steady shear viscosity

ii. Return to the List of Experimental Curves menu.

5. Repeat to add the third shear viscosity curve (visco_240.crv) and set the appropriate ref-
erence temperature and curve type.

6. Add the storage modulus curve (gprime.crv).

Add a new curve

a. Select the curve named gprime.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Specify that the curve is a storage modulus curve.

Modify the curve type

i. Choose storage modulus G’.

storage modulus G’

ii. Return to the List of Experimental Curves menu.

7. Add the loss modulus curve (gsecond.crv).

Add a new curve

a. Select the curve named gsecond.crv.

Enter the name of the curve file

b. Set the reference temperature to 220.

Modify the temperature

c. Specify that the curve is a loss modulus curve.

Modify the curve type

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 Example 3: Non-Isothermal Integral Viscoelastic Model

i. Choose loss modulus G".

loss modulus G"

ii. Return to the List of Experimental Curves menu.

8. Return to the Automatic Fitting menu.

9. Plot the five experimental data curves.

Draw experimental curves

10.3.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation
1. Set the numerical parameters for the calculation.

Numerical options for fitting

a. Limit the range of relaxation times to be from a minimum of 0.1 to a maximum of 10.

Modify the range of relaxation times

b. Return to the Automatic Fitting menu.

2. Specify a name for the material data file (for example, example3.mat).

Enter the name of the result file

3. Start the fitting calculation.

Run fitting

10.3.2.5. Results
The results of the fitting calculation are as follows:
RESULTS

Integral Viscoelastic models

Integral viscoelastic flow

Type of model : KBKZ model

N2 / N1 = 0.0000000E+00 [auto]
ad.visc. = 0.7632522E+03 [auto]

Damping function : Reversible Papanastasiou - Scriven

alfa = 0.6365238E+01 [auto]
beta = 0.0000000E+00 [auto]

Number of relaxation modes = 4

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Examples

Mode - Viscosity - Relaxation Time

1 6.63042E+03 [auto] 1.00000E-01 [auto]
2 7.89786E+03 [auto] 4.64159E-01 [auto]
3 1.51692E+04 [auto] 2.15443E+00 [auto]
4 4.68693E+03 [auto] 1.00000E+01 [auto]

Arrhenius approximate law

h(t) = exp( -alfa * (t - talfa) )

alfa = 0.2150435E-01 [auto]

talfa = 0.2200000E+03 [auto]

The computed and experimental curves are shown in Figure 10.3: Plot of Computed and Experimental
Curves (p. 224).

Figure 10.3: Plot of Computed and Experimental Curves

10.4. Example 4: Isothermal Differential Viscoelastic Model

In this example, the automatic method is used to perform fitting for a differential viscoelastic model
with experimental data curves of shear viscosity vs. shear rate, data curves for the storage and loss
moduli, plus curves of stress vs. Hencky strain. In order to obtain these curves, measure the forces and
deformations of a sample stretched with a constant pulling velocity in a uniaxial mode. In this set-up,
the strain rate diminishes with time as shown in the following equation:

(10.1)

where , is the pulling velocity and , the initial length of the sample.

The Hencky strain is defined as:

(10.2)

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 Example 4: Isothermal Differential Viscoelastic Model

where is the length of the sample at time .

The Giesekus model with 4 relaxation times is used. For the fitting calculation, the range of relaxation
times is limited to between 0.01 and 100 s.

10.4.1. Experimental Data

• Experimental data for shear viscosity vs. shear rate are as follows:

– Visc.crv
9.9999998e-03 5.7942590e+04
1.5848933e-02 5.7463543e+04
2.5118863e-02 5.6368508e+04
3.9810721e-02 5.4127902e+04
6.3095726e-02 5.0320945e+04
1.0000000e-01 4.5214285e+04
1.5848932e-01 3.9707617e+04
2.5118864e-01 3.4520855e+04
3.9810717e-01 2.9743750e+04
6.3095737e-01 2.5129584e+04
1.0000000e+00 2.0666746e+04
1.5848932e+00 1.6676426e+04
2.5118864e+00 1.3395818e+04
3.9810719e+00 1.0758137e+04
6.3095737e+00 8.5443789e+03
1.0000000e+01 6.6362754e+03
1.5848933e+01 5.0658618e+03
2.5118862e+01 3.8541172e+03
3.9810719e+01 2.9273818e+03
6.3095726e+01 2.1740850e+03
1.0000000e+02 1.5363018e+03

• Experimental data for storage and loss moduli (G’ and G") are as follows :

– G1.crv (G’ vs. angular frequency curve)

9.9999998e-03 3.5167976e+01
1.5848933e-02 8.7100800e+01
2.5118863e-02 2.1137102e+02
3.9810721e-02 4.8953040e+02
6.3095726e-02 1.0309354e+03
1.0000000e-01 1.8629243e+03
1.5848932e-01 2.8503687e+03
2.5118864e-01 3.9749304e+03
3.9810717e-01 5.6332231e+03
6.3095737e-01 8.4511943e+03
1.0000000e+00 1.2569028e+04
1.5848932e+00 1.7147389e+04
2.5118864e+00 2.1693041e+04
3.9810719e+00 2.7440998e+04
6.3095737e+00 3.6552094e+04
1.0000000e+01 4.9613684e+04
1.5848933e+01 6.4043047e+04
2.5118862e+01 7.8277656e+04
3.9810719e+01 9.6098992e+04
6.3095726e+01 1.2392985e+05
1.0000000e+02 1.6244308e+05

– G2.crv (G" vs. angular frequency curve)

9.9999998e-03 5.7939490e+02
1.5848933e-02 9.1043549e+02
2.5118863e-02 1.4132689e+03

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Examples

3.9810721e-02 2.1352705e+03
6.3095726e-02 3.0668875e+03
1.0000000e-01 4.1247217e+03
1.5848932e-01 5.3469106e+03
2.5118864e-01 7.0692012e+03
3.9810717e-01 9.6275000e+03
6.3095737e-01 1.2890045e+04
1.0000000e+00 1.6170969e+04
1.5848932e+00 1.9267887e+04
2.5118864e+00 2.3409984e+04
3.9810719e+00 2.9933691e+04
6.3095737e+00 3.8417832e+04
1.0000000e+01 4.6432570e+04
1.5848933e+01 5.2870504e+04
2.5118862e+01 6.0886148e+04
3.9810719e+01 7.3567648e+04
6.3095726e+01 8.7799180e+04
1.0000000e+02 9.3189672e+04

• Experimental data for stress vs. Hencky strain are as follows:

– Stress_01.crv (stress vs. Hencky strain with , transient elongational flow, uniaxial
mode)
9.9950028e-04 4.7493774e+02
3.4975763e-03 1.1649296e+03
4.3310076e-03 1.3302749e+03
5.1519061e-03 1.4737156e+03
5.9449933e-03 1.6005024e+03
6.6795419e-03 1.7103892e+03
7.2960192e-03 1.7980840e+03
7.7497927e-03 1.8603550e+03
8.1741009e-03 1.9169126e+03
9.0343673e-03 2.0268396e+03
1.0988208e-02 2.2556704e+03
1.7310996e-02 2.8492520e+03
2.5077807e-02 3.4017185e+03
3.2225050e-02 3.8135403e+03
3.8228299e-02 4.1159541e+03
4.2950768e-02 4.3344062e+03
4.7312122e-02 4.5241104e+03
5.5426948e-02 4.8511318e+03
7.3435947e-02 5.4840532e+03
1.2336361e-01 6.7618486e+03
1.6961214e-01 7.5459292e+03
2.0687814e-01 7.9897729e+03
2.4421628e-01 8.3163574e+03
3.1127003e-01 8.7072051e+03
4.4549382e-01 9.0984199e+03
6.0200286e-01 9.1738301e+03
7.3499125e-01 8.9499355e+03
9.2299604e-01 8.2168379e+03
1.1368132e+00 7.0296606e+03
1.3128684e+00 5.9730420e+03
1.4625189e+00 5.1118062e+03
1.5926619e+00 4.4254043e+03
1.7078016e+00 3.8785447e+03
1.8110423e+00 3.4393530e+03
1.9046148e+00 3.0826299e+03
1.9901757e+00 2.7892783e+03
2.0689895e+00 2.5450134e+03
2.1420429e+00 2.3391619e+03
2.2101209e+00 2.1637117e+03
2.2738583e+00 2.0126024e+03
2.3337755e+00 1.8812087e+03
2.3903048e+00 1.7659636e+03
2.3978953e+00 1.7510774e+03

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 Example 4: Isothermal Differential Viscoelastic Model

– Stress_1.crv (stress vs. Hencky strain with , transient elongational flow, uniaxial
mode)
9.9503305e-03 4.7317754e+03
3.5282198e-02 1.1698975e+04
4.3344986e-02 1.3279960e+04
4.4380169e-02 1.3467764e+04
5.0368823e-02 1.4504699e+04
5.4894730e-02 1.5241891e+04
6.2509246e-02 1.6408148e+04
8.1463300e-02 1.9005615e+04
1.3814193e-01 2.5006209e+04
1.8773396e-01 2.8923967e+04
2.2752298e-01 3.1489385e+04
2.8311470e-01 3.4498039e+04
4.0201676e-01 3.9637305e+04
5.8976156e-01 4.5542875e+04
7.4152720e-01 4.8620051e+04
9.5612168e-01 5.0665562e+04
1.1944033e+00 5.0673203e+04
1.3866911e+00 4.9045047e+04
1.5479001e+00 4.6442348e+04
1.6866928e+00 4.3383812e+04
1.8085489e+00 4.0245000e+04
1.9171560e+00 3.7241980e+04
2.0151145e+00 3.4473777e+04
2.1043277e+00 3.1970490e+04
2.1862297e+00 2.9727072e+04
2.2619283e+00 2.7722971e+04
2.3322980e+00 2.5932439e+04
2.3980396e+00 2.4329539e+04
2.4597244e+00 2.2890289e+04
2.5178244e+00 2.1593441e+04
2.5727334e+00 2.0420559e+04
2.6247835e+00 1.9355818e+04
2.6742580e+00 1.8385701e+04
2.7213998e+00 1.7498678e+04
2.7664189e+00 1.6684896e+04
2.8094983e+00 1.5935935e+04
2.8507981e+00 1.5244557e+04
2.8904600e+00 1.4604533e+04
2.9286084e+00 1.4010480e+04
2.9653549e+00 1.3457726e+04
3.0007987e+00 1.2942199e+04
3.0350292e+00 1.2460345e+04
3.0398252e+00 1.2394070e+04
3.0445225e+00 1.2329443e+04

– Stress_10.crv (stress vs. Hencky strain with , transient elongational flow, uniaxial
mode)
9.9950028e-04 4.6545542e+03
6.0874340e-03 5.1004746e+03
1.1150699e-02 8.9122051e+03
1.7656896e-02 1.1150112e+04
2.4453657e-02 1.6401330e+04
3.4632608e-02 2.4217082e+04
4.4532828e-02 2.8274932e+04
5.6003418e-02 3.6161609e+04
6.9556937e-02 4.1835988e+04
8.5579991e-02 4.9879168e+04
1.0387585e-01 5.7453828e+04
1.3146825e-01 6.7541008e+04
1.9615518e-01 8.6601953e+04
3.0259091e-01 1.1047721e+05
6.4501029e-01 1.6648053e+05
1.0591307e+00 2.1380906e+05
1.4779303e+00 2.4456852e+05

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Examples

1.7722136e+00 2.5255466e+05
1.9992969e+00 2.5105683e+05
2.1842365e+00 2.4327736e+05
2.3402529e+00 2.3121462e+05
2.4751813e+00 2.1701552e+05
2.5940497e+00 2.0233612e+05
2.7002776e+00 1.8816394e+05
2.7962968e+00 1.7497670e+05
2.8838987e+00 1.6294345e+05
2.9644408e+00 1.5206948e+05
3.0389767e+00 1.4228305e+05
3.1083403e+00 1.3348239e+05
3.1732030e+00 1.2555956e+05
3.2341137e+00 1.1841162e+05
3.2915263e+00 1.1194519e+05
3.3458207e+00 1.0607776e+05
3.3973186e+00 1.0073742e+05
3.4462938e+00 9.5861930e+04
3.4929821e+00 9.1397508e+04
3.5375874e+00 8.7297773e+04
3.5802877e+00 8.3522602e+04
3.6212392e+00 8.0037242e+04
3.6605794e+00 7.6811484e+04
3.6984303e+00 7.3819000e+04
3.7349007e+00 7.1036742e+04
3.7700875e+00 6.8444508e+04
3.8040783e+00 6.6024469e+04
3.8369517e+00 6.3760898e+04
3.8687785e+00 6.1639836e+04
3.8996236e+00 5.9648879e+04
3.9176843e+00 5.8512105e+04

The files for these data curves are provided on the Ansys Polyflow product CD, in the /test/poly-
mat/example4 subdirectory.

10.4.2. Fitting Procedure in Ansys Polymat

Start Ansys Polymat by typing polymat. Then follow the procedure described below to perform the
fitting for the data presented in Experimental Data (p. 225).

Note:

The fitting calculation for this example will take significant time, due to the transient
elongational curves added for the fitting.

10.4.2.1. Step 1: Define the Fluid Model Type

Select Fluid Model

1. Choose Differential viscoelastic model.

Differential viscoelastic model

2. Return to the top-level menu.

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 Example 4: Isothermal Differential Viscoelastic Model

10.4.2.2. Step 2: Specify the Material Data Models

Material Data

1. Enter the Differential viscoelastic models menu.

Differential viscoelastic models

2. Specify the first viscoelastic model.

1-st viscoelastic model

a. Select the Giesekus model.

Giesekus model

b. Accept the current values.

Accept current values

c. Return to the Differential viscoelastic models menu.

Upper level menu

3. Specify the second, third and fourth viscoelastics models of type Giesekus.

Addition of a viscoelastic model

Note:

You do not have to change values of the different modes. They will be fitted auto-
matically later.

4. Return to the top-level Ansys Polymat menu.

10.4.2.3. Step 3: Read in and Draw the Experimental Data Curves

1. Enter the Automatic Fitting menu.

Automatic fitting

2. Enter the List of Experimental Curves menu.

Add experimental curves

3. Add the first experimental curve (visc.crv).

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Examples

Add a new curve

a. Select the curve named visc.crv.

Enter the name of the curve file

b. Specify that the curve is a shear viscosity curve.

Modify the curve type

i. Choose steady shear viscosity (the default).

steady shear viscosity

ii. Return to the List of Experimental Curves menu.

4. Add the second experimental curve (g1.crv).

Add a new curve

a. Select the curve named g1.crv.

Enter the name of the curve file

b. Specify that the curve is a storage modulus curve.

Modify the curve type

i. Choose storage modulus G’.

storage modulus G’

ii. Return to the List of Experimental Curves menu.

5. Add the third experimental curve (g2.crv).

Add a new curve

a. Select the curve named g2.crv.

Enter the name of the curve file

b. Specify that the curve is a loss modulus curve.

Modify the curve type

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 Example 4: Isothermal Differential Viscoelastic Model

i. Choose loss modulus G".

loss modulus G"

ii. Return to the List of Experimental Curves menu.

6. Add the fourth experimental curve (stress_01.crv).

Add a new curve

a. Select the curve named stress_01.crv.

Enter the name of the curve file

b. Specify that the curve is a transient extensional flow curve.

Modify the curve type

i. Choose transient extensional flow.

transient extensional flow

ii. In this menu, choose uniaxial mode, stress vs. strain [ln(l/lo)], and constant exten-
sional velocity.

iii. In the menu Experimental curve #4, modify the initial strain rate (V/lo) and set it
to 0.1.

Modify the initial strain rate (V/lo)

iv. Return to the List of Experimental Curves menu.

7. Add the fifth experimental curve (stress_1.crv).

Add a new curve

a. Select the curve named stress_1.crv.

Enter the name of the curve file

b. Specify that the curve is a transient extensional flow curve.

Modify the curve type

i. Choose transient extensional flow.

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Examples

transient extensional flow

ii. In this menu, choose uniaxial mode, stress vs. strain [ln(l/lo)], and constant exten-
sional velocity.

iii. In the menu Experimental curve #5, modify the initial strain rate (V/lo) and set it
to 1.

Modify the initial strain rate (V/lo)

iv. Return to the List of Experimental Curves menu.

8. Add the sixth experimental curve (stress_10.crv).

Add a new curve

a. Select the curve named stress_10.crv.

Enter the name of the curve file

b. Specify that the curve is a transient extensional flow curve.

Modify the curve type

i. Choose transient extensional flow.

transient extensional flow

ii. In this menu, choose uniaxial mode, stress vs. strain [ln(l/lo)], and constant exten-
sional velocity.

iii. In the menu Experimental curve #5, modify the initial strain rate (V/lo) and set it
to 10.

Modify the initial strain rate (V/lo)

iv. Return to the List of Experimental Curves menu.

9. Return to the Automatic Fitting menu.

10. Plot the six experimental data curves.

Draw experimental curves

The curves will be presented in two graphics: In the first one, you can see the steady shear viscosity, G’
and G"; while in the second, you can see the extensional curves.

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 Example 4: Isothermal Differential Viscoelastic Model

10.4.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation
1. Set the numerical parameters for the calculation.

Numerical options for fitting

a. Limit the range of relaxation times to be from a minimum of 0.01 to a maximum of 100.

Modify the range of relaxation times

b. Return to the Automatic Fitting menu.

2. Specify a name for the material data file (for example, example4.mat).

Enter the name of the result file

3. Start the fitting calculation.

Run fitting

10.4.2.5. Results
The results of the fitting calculation are as follows:
RESULTS
nb. of modes = 4

mode # 1 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D

where - visc is the viscosity

- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.1940853E+04 [auto]

trelax = 0.1000000E-01 [auto]
alfa = 0.7392697E+00 [auto]
ratio = 0.2350520E-04 [auto]

mode # 2 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D

where - visc is the viscosity

- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.1129548E+05 [auto]

trelax = 0.2154435E+00 [auto]
alfa = 0.6407529E+00 [auto]
ratio = 0.0000000E+00 [fixed]

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Examples

mode # 3 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D

where - visc is the viscosity

- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.4098902E+05 [auto]

trelax = 0.4641589E+01 [auto]
alfa = 0.4906601E+00 [auto]
ratio = 0.0000000E+00 [fixed]

mode # 4 - Giesekus model

T = T1 + T2
(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D
T2 = 2*visc2*D

where - visc is the viscosity

- visc1 = (1-ratio)*visc
- visc2 = ratio*visc
- trelax is the relaxation time
- T1up is the upper-convected time derivative of T1

visc = 0.4973851E+04 [auto]

trelax = 0.1000000E+03 [auto]
alfa = 0.4113689E+00 [auto]
ratio = 0.0000000E+00 [fixed]

The computed and experimental curves are shown in Figure 10.4: Computed and Experimental
Curves for Steady Shear Viscosity, Storage Modulus and Loss Modulus (p. 234) and Figure 10.5: Com-
puted and Experimental Curves for Stress vs. ln(1/lo) at Different Initial Strain Rates (0.1,1, and
10). (p. 235).

Figure 10.4: Computed and Experimental Curves for Steady Shear Viscosity, Storage Modulus
and Loss Modulus

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 Example 4: Isothermal Differential Viscoelastic Model

Figure 10.5: Computed and Experimental Curves for Stress vs. ln(1/lo) at Different Initial Strain
Rates (0.1,1, and 10).

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Bibliography
[1] R. B. Bird, P. J. Dotson, and N. L. Johnson. J Non-Newtonian Fluid Mech. 7:213. 1980.

[2] N. Clemeur, R. P. G. Rutgers, and B. Debbaut. On the Evaluation of Some Differential Formulations
for the Pom-Pom Constitutive Model. Rheol Acta. 42(1). 217–231. 2003.

[3] P. Coussot, A. I. Leonov, and J. M. Piau. Rheology of Concentrated Dispersed Systems in a Low Mo-
lecular Weight Matrix. J Non-Newtonian Fluid Mech. 46. 179–217. 1993.

[4] W. P. Cox and E. H. Merz. Correlation of dynamic and steady flow properties. J Polym Sci. 28:619.
1958.

[5] G. S. Fulcher. J Am Ceram Soc. 8(6). 339–355. 1925.

[6] W. Gleissle. "Two simple time-shear rate relations combining viscosity and first normal stress coefficient
in the linear and non-linear flow range". Rheology, Vol. 2 Fluids. G. Astarita, G. Marrucci, and L.
Nicolais, editors. Plenum, New York. 457-462. 1980.

[7] H. M. Laun,. Prediction of elastic strains of polymer melts in shear and elongation. J Rheology. 30.
459–501. 1986.

[8] T. C .B. McLeish and R. C. Larson. Molecular Constitutive Equations for a Class of Branched Polymers
The Pom-Pom Polymer. J Rheo. 42(1). 82–112. 1998.

[9] M. Simhambhatla. The Rheological Modeling of Simple Flows of Unfilled and Filled Polymers. PhD
Thesis University of Akron. 1994.

[10] M. Simhambhatla and A. I. Leonov. On the Rheological Modeling of Filled Polymers with Particle-
Matrix Interactions. Rheol Acta. 34. 329–338. 1995.

[11] R. I. Tanner. Engineering Rheology. Oxford University Press. 1985.

[12] M. H. Wagner. A Constitutive Analysis of Uniaxial Elongational Flow Data of Low-Density Polyethylene
Melt. J Non-Newtonian Fluid Mech. 4. 39–55. 1978.

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