ANSYS Energico Users Guide

ANSYS Energico User's Guide
ANSYS, Inc. Release 2020 R1

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Table of Contents
1. Introduction ............................................................................................................................................ 1
1.1. Accurate Prediction of Combustion Emissions ................................................................................... 1
1.2. Lean Blow-off Analysis ...................................................................................................................... 1
1.3. Overview of Using the ANSYS Energico Simulation Package ............................................................... 2
2. Software and License Installation ........................................................................................................... 5
2.1. Software and License Installation ...................................................................................................... 5
3. Introduction to the ANSYS Energico Interface ....................................................................................... 7
3.1. Workflow Panel ................................................................................................................................. 7
3.1.1. Model Setup ............................................................................................................................ 8
3.1.2. ERN Analysis ............................................................................................................................ 8
3.1.3. LBO Analysis .......................................................................................................................... 10
3.2. Model Display Panel ........................................................................................................................ 11
3.2.1. Context Menus for Objects in the 3-D View Panel .................................................................... 13
3.3. Log Panel ........................................................................................................................................ 14
3.4. 3-D View Panel ................................................................................................................................ 14
3.4.1. Toolbar and Menu .................................................................................................................. 15
3.4.2. Using the Mouse with the 3-D View Panel ............................................................................... 15
3.4.3. Zoom mode ........................................................................................................................... 15
3.4.4. Translate mode ...................................................................................................................... 15
3.4.5. Redrawing the 3-D view panel ................................................................................................ 15
3.5. Creating User-defined Variables ...................................................................................................... 16
3.5.1. Syntax and Rules for User-Defined Variables ............................................................................ 17
3.5.2. Examples of User-Defined Variables ........................................................................................ 18
3.6. Taking a Screen Capture .................................................................................................................. 18
4. Overview of Workflow ........................................................................................................................... 19
4.1. Starting Energico ............................................................................................................................ 19
4.1.1. Linux ..................................................................................................................................... 19
4.1.2. Windows ................................................................................................................................ 19
4.2. Setting Up Environment for Linux ................................................................................................... 19
4.2.1. Verifying Sourcing .................................................................................................................. 20
4.2.2. Sourcing from Login File ......................................................................................................... 21
4.3. Allocating Java Memory for the ENERGICO Interface ........................................................................ 21
4.3.1. Running ENERGICO as a Background Process on Linux Systems ............................................... 23
4.4. ENERGICO Preferences .................................................................................................................... 23
4.4.1. Display Preferences ................................................................................................................ 25
4.4.2. ERN Preferences ..................................................................................................................... 26
4.4.3. ERN Options ........................................................................................................................... 27
4.4.4. Solver Options ....................................................................................................................... 28
4.4.5. LBO Preferences ..................................................................................................................... 29
4.4.6. Model Preferences .................................................................................................................. 30
4.4.6.1. CFD File Conventions ..................................................................................................... 30
4.4.6.2. Boundary Identification ................................................................................................. 31
4.4.7. ERN Preferences ..................................................................................................................... 31
4.4.8. Optimizing Graphic Display on Windows Systems ................................................................... 32
4.5. Setting Up a Problem with ENERGICO (Model and Chemistry Setup Tab) .......................................... 32
4.5.1. Selecting the Input Files ......................................................................................................... 32
4.5.2. Selecting the Volume to Import .............................................................................................. 33
4.5.3. Mapping Species Names in the Chemistry Set to CFD Field Names .......................................... 33
4.5.3.1. Specifying Fuel Source Terms for Discrete-phase Models ................................................ 34
4.5.3.2. Specifying Fuel Properties for Discrete-phase Source Terms ............................................ 35
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Energico User's Guide
4.5.4. Identifying Key Variables and Units ......................................................................................... 36

4.5.5. Identifying Boundaries ........................................................................................................... 37
4.6. Generating an Equivalent Reactor Network (ERN Analysis Tab) ......................................................... 41
4.6.1. Selecting an Algorithm Template for Zone Creation ................................................................ 42
4.6.2. Assigning Zone Options ......................................................................................................... 42
4.6.3. Adding Reactor Criteria .......................................................................................................... 42
4.6.4. ERN Options ........................................................................................................................... 43
4.6.4.1. Dispersed Phase Tab ...................................................................................................... 44
4.6.4.2. Advanced Tab ................................................................................................................ 47
4.6.5. Creating and Viewing the ERN ................................................................................................ 47
4.6.6. Running the ERN Model ......................................................................................................... 47
4.6.7. Viewing the Results ................................................................................................................ 47
4.7. Performing a Lean Blow-off Analysis (LBO Analysis Tab) ................................................................... 50
4.7.1. Selecting a Flame-finding Algorithm ....................................................................................... 51
4.7.2. Running the LBO Analysis ....................................................................................................... 51
4.7.3. Viewing the Results ................................................................................................................ 52
4.8. Saving ENERGICO Project Data ........................................................................................................ 52
4.8.1. Loading ENERGICO Project Data ............................................................................................. 53
4.8.2. ENERGICO Replay Files ........................................................................................................... 53
4.8.3. ENERGICO Archive Files .......................................................................................................... 53
4.9. Getting Assistance .......................................................................................................................... 54
5. Setting Up Your Chemistry Set .............................................................................................................. 55
5.1. Required Components of a Chemistry Set ........................................................................................ 55
5.2. Further Details of the Chemistry Set ................................................................................................ 55
5.3. Verification of Chemistry-set Data ................................................................................................... 55
5.3.1. Troubleshooting ..................................................................................................................... 56
6. Reading a Solution File ......................................................................................................................... 59
6.1. Solution File Options ....................................................................................................................... 59
6.2. About the CGNS File Format ............................................................................................................ 59
6.3. Compatibility with Commercial CFD Software ................................................................................. 59
7. Equivalent Reactor Network Analysis ................................................................................................... 61
7.1. Creating an ERN .............................................................................................................................. 62
7.2. Zone Creation Algorithms ............................................................................................................... 62
7.2.1. Pre-packaged Options ............................................................................................................ 62
7.2.2. Creating or Editing Zone Filters ............................................................................................... 63
7.2.2.1. Using Criteria to Select from the Available Zones ............................................................ 63
7.2.2.2. Merge Zones ................................................................................................................. 64
7.2.2.3. Grow Zones ................................................................................................................... 65
7.2.3. Saving for Later Use ................................................................................................................ 65
7.3. Setting Reactor-type Criteria for Zones ............................................................................................ 66
7.3.1. Setting Reactor Defaults ......................................................................................................... 67
7.3.1.1. Energy Equation Heat Transfer Assumptions ................................................................... 67
7.3.2. Equivalent Reactor Network Options ...................................................................................... 68
7.3.3. Solving for Temperature ......................................................................................................... 69
7.4. Solving the ERN .............................................................................................................................. 71
7.5. Viewing and Analyzing Results ........................................................................................................ 71
7.5.1. Mapping Results of the ERN onto the CFD Geometry .............................................................. 71
7.5.2. Creating and Exporting a Table of ERN Results ........................................................................ 73
7.5.3. Derived Emissions Data .......................................................................................................... 75
7.5.3.1. Calculation of Zone Contribution to Total NOx Production .............................................. 76
7.5.3.2. Calculation of Emissions Indices ..................................................................................... 77
7.5.3.3. Emissions Index at a Single Reactor ................................................................................ 77
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7.5.4. Viewing ERN Parameter-study Results in ANSYS Chemkin ........................................................ 78

8. Lean Blow-off Analysis .......................................................................................................................... 79
8.1. Background: Damkohler Number Approach .................................................................................... 79
8.1.1. Determining Which Cells to Consider ...................................................................................... 80
8.1.2. Flow Timescale of a CFD Cell ................................................................................................... 80
8.1.3. Chemistry Timescale of a CFD Cell .......................................................................................... 81
8.2. Flame Capturing Algorithms ........................................................................................................... 81
8.2.1. Creating or Editing ................................................................................................................. 81
8.2.1.1. Upwind Flame ............................................................................................................... 82
8.2.1.2. Downwind Flame .......................................................................................................... 82
8.2.1.3. Upwind and Downwind Flame ....................................................................................... 83
8.2.1.4. User-defined Flame ....................................................................................................... 83
8.3. LBO Analysis Options ...................................................................................................................... 84
8.3.1. Damkohler Number Cut-off Value for LBO ............................................................................... 86
8.4. Viewing LBO Results ....................................................................................................................... 86
8.4.1. Understanding Significance of Results .................................................................................... 88
9. Viewing Results ..................................................................................................................................... 91
9.1. Creating a Visualization Plot ............................................................................................................ 91
9.1.1. Selecting a Variable ................................................................................................................ 91
9.1.2. Selecting the Plot Range ........................................................................................................ 91
9.1.3. Selecting the Plot Locations ................................................................................................... 92
9.1.3.1. Available Locations for CFD Plots ................................................................................... 92
9.1.3.2. Available Locations for ERN Plots .................................................................................... 92
9.1.3.3. Available Locations for LBO Plots .................................................................................... 92
9.1.4. Previewing the Plot ................................................................................................................ 92
9.1.5. Adding the Plot to the Project’s Plot List .................................................................................. 92
9.1.6. Managing the Project’s Plot List .............................................................................................. 93
9.1.6.1. Editing a Plot ................................................................................................................. 93
9.1.6.2. Renaming or Removing a Plot ........................................................................................ 94
9.1.6.3. Changing the View Properties of a Plot ........................................................................... 94
9.1.7. Populating ERN Results for 3rd-Party Visualization ................................................................... 95
9.2. Streamlines ..................................................................................................................................... 95
9.3. Creating a Table .............................................................................................................................. 96
9.3.1. Adding the Table to the Project’s Table List .............................................................................. 96
9.3.2. Exporting the Table Data ........................................................................................................ 97
9.3.3. Managing the Project’s Table List ............................................................................................ 97
9.3.3.1. Editing a Table ............................................................................................................... 97
9.3.3.2. Renaming or Removing a Table ...................................................................................... 97
9.4. Loading and Saving View Settings ................................................................................................... 98
9.4.1. Saving the Current View Settings ............................................................................................ 98
9.4.2. Loading View Settings from an Existing .ckview File ................................................................ 98
10. Using the Parameter Study Facility ..................................................................................................... 99
10.1. Overview of the Parameter Study Facility Options .......................................................................... 99
10.2. Setting Up a Parameter Study in ENERGICO ................................................................................... 99
10.2.1. Setting Up an Optional Parameter Study ............................................................................. 100
10.2.2. Sets of Inlets and Mass Sources ........................................................................................... 100
10.2.3. Parameter Variation of Sets ................................................................................................. 101
10.3. Running Parameter Study ............................................................................................................ 105
10.3.1. Viewing Results in ENERGICO .............................................................................................. 106
10.3.2. Viewing Results in ANSYS Chemkin-Pro ............................................................................... 108
11. Getting Help and Support ................................................................................................................. 111
11.1. Tool-tips ...................................................................................................................................... 111
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11.2. User Manuals .............................................................................................................................. 111

11.3. Installation, Licensing, and Configuration Help ............................................................................. 112
11.4. Technical Support ....................................................................................................................... 112
A. Importing a CGNS File from CFD Software .............................................................................................. 113
A.1. General Requirements .................................................................................................................. 113
A.1.1. Performance Options For Loading Large Meshes .................................................................. 113
A.1.2. CGNS File Import: FLUENT Example ....................................................................................... 113
A.2. Boundary File Generation for STAR-CD .......................................................................................... 114
A.3. Boundary File Usage ..................................................................................................................... 115
B. Adding Inputs to an Algorithm File ........................................................................................................ 117
B.1. Adding Inputs to an Algorithm File ................................................................................................ 118
B.1.1. Allowable Input Types in Algorithm Files ............................................................................... 120
B.1.2. Example of Adding Inputs to an Algorithm File ..................................................................... 120
B.1.2.1. Original XML ............................................................................................................... 121
B.1.2.2. Modified XML .............................................................................................................. 122
B.1.2.3. Resulting Algorithm Dialog .......................................................................................... 123
C. CGNS Utility .......................................................................................................................................... 125
C.1. Using the Utility ............................................................................................................................ 125
C.1.1. Windows .............................................................................................................................. 125
C.1.2. Linux ................................................................................................................................... 125
D. File Extensions Used by ANSYS Energico ................................................................................................ 127
Bibliography ............................................................................................................................................. 129
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List of Figures
3.1. ANSYS Energico Interface components ................................................................................................... 7
3.2. Adding a zoning operation, step 1 - Click in workflow tree to open dialog ................................................ 9
3.3. Adding a zoning operation, step 2 - Provide input in dialog and click Apply .............................................. 9
3.4. Adding a zoning operation, step 3 - New item appears in workflow tree ................................................... 9
3.5. Adding a zoning operation, step 4 - Right-click new item in workflow tree to edit or remove ................... 10
3.6. LBO Analysis - Edit/Remove workflow item using context menu ............................................................. 11
3.7. Using display attributes in context menu to specify attributes of items in 3-D View panel ....................... 12
3.8. Display Preferences set for maximum performance. ............................................................................... 13
3.9. Zoom and Translate toolbar buttons ...................................................................................................... 15
3.10. Toolbar button to define custom variable ............................................................................................ 16
3.11. Creating a user-defined variable .......................................................................................................... 16
3.12. Entering a variable’s formula for radius ................................................................................................ 17
3.13. Diagram of user-defined variable examples ......................................................................................... 18
3.14. Screen Capture toolbar button ............................................................................................................ 18
4.1. Preferences dialog - ENERGICO tab ........................................................................................................ 24
4.2. Preferences dialog - Display tab ............................................................................................................. 26
4.3. Preferences dialog - ERN tab .................................................................................................................. 28
4.4. Preferences dialog - LBO tab .................................................................................................................. 30
4.5. Preferences dialog - Model tab .............................................................................................................. 31
4.6. Map Species Names dialog .................................................................................................................... 34
4.7. Spray Source Properties workflow item ................................................................................................. 35
4.8. Map Variable Names dialog ................................................................................................................... 37
4.9. Identify Boundaries dialog .................................................................................................................... 38
4.10. Define Transformation dialog - Transform tab ...................................................................................... 39
4.11. Inlet Condition specification panel ...................................................................................................... 40
4.12. Inlet Condition override for a combination of inlets ............................................................................. 41
4.13. Zone Options dialog ........................................................................................................................... 42
4.14. Add Reactor Criteria dialog - Streamline Criteria ................................................................................... 43
4.15. Add Reactor Criteria dialog - Custom Criteria ....................................................................................... 43
4.16. ERN Options dialog - Default and Advanced tabs ................................................................................. 44
4.17. ERN Options dialog - Dispersed Phase tab ........................................................................................... 45
4.18. Analyze Results dialog ......................................................................................................................... 48
4.19. Select Post-Processing Variables dialog - Data Selection tab ................................................................. 49
4.20. Select Post-Processing Variables dialog - Units of Measure tab ............................................................. 50
4.21. Evaluate LBO dialog ............................................................................................................................ 52
5.1. Chemistry Set Pre-Process Utility ........................................................................................................... 56
7.1. Zone Operation dialog for applying a pre-packaged zone filter .............................................................. 63
7.2. Filter Zones dialog enables the creation of custom filters ....................................................................... 63
7.3. Selection criteria for zone with temperature > 1500K and volume > 5.0e-5m^3 ...................................... 64
7.4. Merge Zones dialog .............................................................................................................................. 65
7.5. Grow Zones dialog ................................................................................................................................ 65
7.6. Add Reactor Criteria dialog used to specify a non-standard reactor type ................................................ 66
7.7. Selection Criteria dialog for editing reactor criteria for selecting zones ................................................... 67
7.8. Set Default Reactor Type dialog ............................................................................................................. 68
7.9. ERN Options dialog - Default options for reactor and stream layout ........................................................ 69
7.10. ERN Options dialog - Advanced tab ..................................................................................................... 70
7.11. Analyze Results panel - to execute calculations on all zones in the ERN ................................................. 71
7.12. Define ERN Plot dialog ........................................................................................................................ 72
7.13.Total NOx production rate example. Each zone, consisting of a collection of cells, is colored according
to the result determined by the ERN ............................................................................................................ 73
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7.14. Creating a table by selecting zones and variables ................................................................................. 74

7.15. Data table created by Create a Table Utility .......................................................................................... 74
7.16. Schematic of NO mass production/consumption rate .......................................................................... 77
8.1. Find Flame results in 3D Viewer ............................................................................................................. 82
8.2. Find a Flame Region dialog - Upwind and Downwind Flame .................................................................. 83
8.3. Find a Flame Region dialog - User Defined Flame ................................................................................... 84
8.4. Evaluate LBO dialog - Basic Control tab .................................................................................................. 85
8.5. Evaluate LBO dialog - Advanced Control tab .......................................................................................... 86
8.6. Define LBO Plot dialog .......................................................................................................................... 87
8.7. Display Variables dialog with LBO analysis selected ................................................................................ 88
8.8. LBO results ........................................................................................................................................... 89
9.1. Defining Plot Criteria (ERN) .................................................................................................................... 93
9.2. Modifying Plot Criteria .......................................................................................................................... 94
9.3. Modifying view properties of a plot ....................................................................................................... 95
9.4. Export ERN options ............................................................................................................................... 95
9.5. Streamline for CFD solution ................................................................................................................... 96
9.6. Creating a Table from Analysis Data ....................................................................................................... 97
9.7. Load or Import View Settings from View Template (.ckview) ................................................................... 98
10.1. Parameter study creation section of the Equivalent Reactor Network Analysis workflow tree ............... 100
10.2. Definition of an inlet/source set ......................................................................................................... 101
10.3. Variation of a species composition ..................................................................................................... 102
10.4. Varying flow ratios ............................................................................................................................ 103
10.5. Fuel/Air Ratio option for specifying parameter studies ....................................................................... 104
10.6. Parameter study of a flow rate of an inlet/mass source set .................................................................. 105
10.7. Analyze Results panel in ANSYS Chemkin-Pro for setting up parameter-study results analysis ............. 106
10.8. Configure Table Data panel in ENERGICO for setting up parameter-study results analysis .................... 107
10.9. Define ERN Plot panel in ENERGICO for setting up parameter-study results analysis ............................ 108
1. Fluent Export Dialog .............................................................................................................................. 114
2. Example output from STAR-CD BWRITE - completing region and interface data ....................................... 115
1. List of algorithms in Select an ERN Algorithm dialog ............................................................................... 117
2. Algorithm inputs in Select an ERN Algorithm dialog ............................................................................... 117
3. Selecting the modified algorithm ........................................................................................................... 120
4. Select an ERN Algorithm with added inputs ........................................................................................... 123
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List of Tables
4.1. Memory specification examples for ENERGICO_MEMORY ...................................................................... 22
7.1. Derived Variables .................................................................................................................................. 75
1. File extensions and descriptions of the files ............................................................................................ 127
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Chapter 1: Introduction
Welcome to the ANSYS Energico Simulation Package™, which provides seamless links between detailed
combustion chemistry and Computational Fluid Dynamics (CFD) for accurate simulation of combustion
behavior. This powerful software tool allows you combine analysis using full combustion reaction
mechanisms with the geometric resolution of complex fluid dynamics. When used to its full potential,
the Energico Simulation Package will speed combustion-system design, allow engineers to use detailed
chemistry without requiring specialized understanding of complex kinetics, and result in fewer and
better-directed experimental tests to validate system design.
The key features of the ANSYS Energico Simulation Package include:
• Rapid and accurate predictions of emissions from modern combustion systems.
• A revolutionary method to evaluate Lean Blow-off in combustion systems.
• Flexibility to create user-defined ANSYS Energico algorithms tailored to meet your specific requirements.
1.1. Accurate Prediction of Combustion Emissions

Combustor design simulation requires resolution of complex geometry, turbulent flow patterns, heat
transfer and complex chemistry. However, CFD simulations that capture the realistic complex geometry
typically cannot accept fuel chemistry mechanisms that are more than a few steps while still providing
reasonable solution time and model stability. Such reduced chemistry loses the fidelity of detailed kin-
etics that is required to accurately predict emissions of NOx , CO and unburned hydrocarbons ( UHC).
Prediction of trace species and species impacted by small concentrations of intermediates requires
mechanisms with tens to hundreds of species and hundreds to thousands of reactions, depending on
the fuel. The use of idealized chemical reactors to represent the combustor, on the other hand, allows
inclusion of detailed combustion chemistry in an efficient manner to simulate such trace species form-
ation and destruction. The use of an equivalent reactor network allows the flow field of the combustor
to be represented as a group of Perfectly Stirred Reactors (PSRs) and Plug Flow Reactors (PFRs) with
associated flow connections. The ANSYS Energico Simulation Package automates the import of results
from a CFD simulation and the translation of these results directly into an equivalent reactor network
(ERN) that captures all the flow patterns and recirculation zones to an idealized network. This allows
the detailed chemistry mechanism to be applied directly and efficiently in the ERN simulation for accurate
prediction of emissions.
1.2. Lean Blow-off Analysis

One of the most challenging combustion stability problems encountered in low NOx combustor design
is the phenomenon of Lean Blow-off (LBO). Lean Blow-off occurs when the heat generated by the reaction
is no longer sufficient to ignite the incoming fuel/air mixture to sustain the flame. In a low-NOx combustor,
the low NOx limit often is bounded by the onset of combustion instability in the form of LBO, so the
identification of this limit is critical in combustor design. Ultra low-NOx-emission combustors use com-
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Introduction
bustion staging strategies primarily focused on reducing the flame temperatures within the combustor
to limit the formation of thermal NOx through lean premixed combustion.
The ANSYS Energico Simulation Package uses the well-documented concept of evaluating the relative
chemical reaction and fluid dynamic mixing timescales to assess how close regions of the flame are to
LBO. This spatially resolved information on flame stability provides the combustor designer new insights
into how LBO occurs, which enables design changes for improved stability. In uncontrolled combustion
systems, the combustion is limited by the degree of mixing occurring within the combustor, as chemistry
is typically much faster than mixing. However, as the flame temperature is decreased, the chemical re-
action time slows down to the point where it becomes the limiting factor and LBO may occur. The ratio
of chemical reaction time to fluid dynamic mixing time is represented by the dimensionless parameter
called the Damkohler Number (Da). The Energico Simulation Package captures the specific area in the
combustor flow field representing the flame in the CFD simulation and calculates the local Da using
detailed kinetics, in order to provide an indication of how close the flame is to LBO. Identification of
the local Da in the flame front with the Energico Simulation Package is a straightforward, automated
process. You will be able to obtain an idea of how close your combustion system is to LBO without
complete reliance on experimental testing.
1.3. Overview of Using the ANSYS Energico Simulation Package

This manual will guide you through the steps of using the ANSYS Energico Simulation Package with
CFD to provide a comprehensive combustion simulation for emissions and stability analysis. These steps
are summarized as follows:
• Read in the results of a CFD solution from a CGNS file.
• Identify the detailed chemistry mechanism that will be used to solve the ERN.
• Automatically create an equivalent reactor network (ERN) with the use of prepared comprehensive algorithms.
• Display the results of the ERN back onto the combustor flow field.
• Capture the specific region of the flame that represents the flame front and conduct Lean Blow-off analysis.
• Customize ANSYS Energico to suit your specific needs through flexible user-defined algorithms.
The rest of this manual is organized into the following chapters:
• Software and License Installation (p. 5)
Discusses installation and licensing.
• Introduction to the ANSYS Energico Interface (p. 7)
Describes the ANSYS Energico Interface and how it guides the workflow.
• Overview of Workflow (p. 19)
Provides an overview of the ANSYS Energico workflow.
• Setting Up Your Chemistry Set (p. 55)
Describes chemistry set requirements, details, and verification.
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Overview of Using the ANSYS Energico Simulation Package
• Reading a Solution File (p. 59)
Describes CGNS file formats and ANSYS Energico’s compatibility with other file formats.
• Equivalent Reactor Network Analysis (p. 61)
Describes creating an Equivalent Reactor Network (ERN) through creation of zones, solving the ERN,
performing parameter studies, and viewing results.
• Lean Blow-off Analysis (p. 79)
Describes the significance of Lean Blow-off (LBO) analysis and the approach implemented in ANSYS
Energico, as well as the flame capturing algorithms.
• Viewing Results (p. 91)
Describes how to view the results of an ERN analysis, an LBO analysis, or the original CFD solution.
• Getting Help and Support (p. 111)
Describes the various types of assistance available to ANSYS Energico users.
• Appendix A: Importing a CGNS File from CFD Software (p. 113)
Explains some specific file format requirements when using STAR-CD to generate CGNS files for use
with ANSYS Energico.
• Appendix B: Adding Inputs to an Algorithm File (p. 117)
Explains adding inputs to an existing algorithm file.
• Appendix C: CGNS Utility (p. 125)
Describes the CGNS Utility, for converting vertex-based solution data to cell-centered data.
• Appendix D: File Extensions Used by ANSYS Energico (p. 127)
Lists the file types, file extensions and a brief description of each.
Chapter 2: Software and License Installation
2.1. Software and License Installation

For information regarding software and license installation, please refer to the ANSYS, Inc. Installation
and Licensing Set. ANSYS Energico is installed through the ANSYS Unified Installer, as part of the ANSYS
Chemkin-Pro product.
Chapter 3: Introduction to the ANSYS Energico Interface
The ANSYS Energico Interface guides your work by organizing tasks on a workflow tree structure in the
Workflow panel. Items displayed in the 3-D View panel are accessible via controls in the Model Display
panel. The Interface also provides a Log panel, a toolbar and menus. The Energico Interface, highlighted
with these components, is shown in Figure 3.1: ANSYS Energico Interface components (p. 7).
Figure 3.1: ANSYS Energico Interface components
3.1. Workflow Panel

The Workflow panel contains tabs for each primary workflow item (Model Setup, ERN Analysis, LBO
Analysis). Within each tab, a workflow tree displays the various workflow items that relate to the primary
workflow item. These are organized in a sequential manner corresponding to the workflow order. A
single click on an individual workflow item launches a dialog that describes that task and contains
controls for specifying related input and parameters.
Introduction to the ANSYS Energico Interface
3.1.1. Model Setup

The purpose of the Model Setup workflow tree is to gather information related to the problem setup,
including analysis file names, various name mappings, and boundary condition identification. Note
that the ERN and LBO Analysis tabs remain disabled until all of the Model Setup workflow tree items
are complete.
3.1.2. ERN Analysis

The ERN Analysis workflow tree presents operations required to divide the CFD model into zones that
will be used to represent reactors in an equivalent reactor network. This workflow tree is further divided
into zoning operations, reactor operations, and network diagram operations.
Zoning operations divide the CFD model into zones. The number of zoning operations used to divide
the model is problem-dependent, and therefore any number of zoning operations can be added by
selecting one or more of the following workflow items:
• Apply Algorithm: Apply a 'pre-packaged' set of operations (one or more of those mentioned below) to
divide the CFD model into zones.
• Save Algorithm: Save a set of Filters and other Zone operations into an Algorithm template file for future
use.
• Filter Zones: Divide the CFD model into zones based on a field contained in the CFD model.
• Merge Zones: Join two or more zones together.
• Grow Zones: Increase the size of a zone by extending its boundaries a specified number of steps.
Figure 3.2: Adding a zoning operation, step 1 - Click in workflow tree to open dialog (p. 9) shows
the selection of the Filter Zones item under Create Zones on the ERN Analysis workflow tree.
In addition to zoning operations, the ERN Analysis tree provides a means to assign a reactor type to
the zones. Like zoning operations, any number of reactor operations can be added to the analysis.
This is accomplished by selecting the Add Reactor Criteria workflow item, under Create Reactors. This
item is illustrated in Figure 3.3: Adding a zoning operation, step 2 - Provide input in dialog and click
Apply (p. 9).
When either a zoning operation or a reactor operation has been added to the analysis, a workflow
item is inserted into the workflow tree. The settings of the operation can be modified by selecting
the item and clicking it, or the item can be deleted by right-clicking and then selecting Remove from
a context menu.
The Figures Figure 3.2: Adding a zoning operation, step 1 - Click in workflow tree to open dialog (p. 9)
to Figure 3.5: Adding a zoning operation, step 4 - Right-click new item in workflow tree to edit or re-
move (p. 10) illustrate adding a zoning operation to the analysis.
Workflow Panel
Figure 3.2: Adding a zoning operation, step 1 - Click in workflow tree to open dialog
Figure 3.3: Adding a zoning operation, step 2 - Provide input in dialog and click Apply
Figure 3.4: Adding a zoning operation, step 3 - New item appears in workflow tree
Figure 3.5: Adding a zoning operation, step 4 - Right-click new item in workflow tree to edit or
remove
The remaining workflow items under Create ERN provide ways to specify ERN options, and finally a
task item to Create and View (and run) the equivalent reactor network.
3.1.3. LBO Analysis

The LBO Analysis workflow tree provides task items for defining flame regions from the CFD model
that is performing the LBO analysis and for visualizing the results. Any number of flames may be
created using the Find a Flame Region workflow item. A new workflow item appears for each flame,
and individual flames can be edited or removed by right-clicking and selecting an option from a
context menu, as illustrated by Figure 3.6: LBO Analysis - Edit/Remove workflow item using context
menu (p. 11).
Model Display Panel
Figure 3.6: LBO Analysis - Edit/Remove workflow item using context menu
3.2. Model Display Panel

The Model Display panel contains several tabs, each displaying a list of items that can be visualized in
the 3-D View panel. Display attributes such as Color, Mesh Visibility, and Transparency can be set for
each item. To set display attributes for an item or items (make multiple selections using the Shift or
Control keys), right-click the item to bring up a context menu with a list of available display attributes
for the item (see Figure 3.7: Using display attributes in context menu to specify attributes of items in
3-D View panel (p. 12)).
Figure 3.7: Using display attributes in context menu to specify attributes of items in 3-D View
panel
Note:
To improve performance with complex geometries, or for situations in which a remote display
is being used, limit the features that are displayed by default. To do so, edit the Display
Preferences, which can be found from the Edit menu:
Edit > Preferences > Display tab
The settings shown in Figure 3.8: Display Preferences set for maximum performance. (p. 13)
will result in maximum display responsiveness.
Model Display Panel
Figure 3.8: Display Preferences set for maximum performance.
3.2.1. Context Menus for Objects in the 3-D View Panel

Various display settings can be set for boundaries, zones, flames, and plots by selecting options from
the Display Object context menu, available by right-clicking in the Model Display panel. (See Fig-
ure 3.7: Using display attributes in context menu to specify attributes of items in 3-D View panel (p. 12).)
Note that objects in the Model Display panel can be multi-selected by extending the selection with
the Ctrl key held down, allowing a set of properties to be applied to more than one object at a time.
The following list of display settings and descriptions are common to all displayed objects:
Visible Toggle the visibility of the object

Draw Mesh Toggle the visibility of mesh lines on the object
Draw Faces Toggle the visibility of mesh faces on the object
Draw Wireframe Toggle the visibility of a wireframe rendering of the object
Color Allows a color to be specified from a color selector
Use Lighting Toggle whether or not the object will be shaded with lighting
Transparency Allows setting the transparency of the object to Opaque, Low,

Medium or High transparency
Instances to Draw When periodicity is defined, defines the number of copies to
display of the current periodic sector
Reverse Lighting Reverse the lit side of the mesh, to be used if the surface
normals in the model are oriented inward rather than outward,
causing the object to appear dimly lit
Draw Bounding Box Toggle the visibility of a rectangular box bounding the object
Zone objects additionally contain the following settings:
External Boundaries Toggle the visibility of mesh faces in the zone that lie on an
external boundary (i.e. wall)
Internal Boundaries Toggle the visibility of mesh faces in the zone that lie on an
internal boundary (i.e. between two zones)
Periodic Boundaries Toggle the visibility of mesh faces in the zone that lie on a
periodic boundary
Inlet Boundaries Toggle the visibility of mesh faces in the zone that lie on an
inlet boundary
Outlet Boundaries Toggle the visibility of mesh faces in the zone that lie on an
outlet boundary
Draw Streamlines Toggle the visibility of streamline traces in the selected zones
Properties Opens a panel containing various properties of the selected
zone
3.3. Log Panel

The Log panel displays messages and status information regarding the current processing state of the
ANSYS Energico application. When the application is busy, a progress bar appears in the panel to indicate
that a calculation is in progress.
The Log panel also contains an indicator bar that displays the current memory usage of the application.
The indicator bar’s height varies with time as ANSYS Energico processes various tasks and the amount
of free memory available to the application varies as the application both consumes and frees the
memory resources of the computer. However, excessive memory cycling (consumption and freeing of
memory) indicates that a larger memory setting may improve the performance of the application. On
average, memory usage greater than 2/3 of the memory indicator bar’s height indicates that an increase
in performance can be gained by increasing the Java memory setting. See Allocating Java Memory for
the ENERGICO Interface (p. 21), Allocating Java Memory for the ENERGICO Interface (p. 21).
3.4. 3-D View Panel

The 3D View panel displays the CFD Model and analysis objects, such as regions, zones and flames.
3-D View Panel
3.4.1. Toolbar and Menu

The menu provides methods for file handling, help, and preferences. The toolbar contains shortcuts
to some of the menu items, as well as buttons to control the mouse state and model orientation in
the 3-D View panel (Pan/Zoom/Refit).
3.4.2. Using the Mouse with the 3-D View Panel

To rotate the model in the 3-D View panel, click and drag the left mouse button.
The mouse right-click button has two modes, zoom and translate (zoom is default). The mode can
be changed by clicking the Zoom or Translate tool-bar button.
Figure 3.9: Zoom and Translate toolbar buttons
3.4.3. Zoom mode

Zoom the model in or out by right-clicking and then dragging:
• In a left to right direction to increase zoom.
• In a right to left direction to decrease zoom.
3.4.4. Translate mode

Translate the model up, down, left, and right by right-clicking and dragging in the desired direction.
3.4.5. Redrawing the 3-D view panel

Occasionally when working with large meshes it may be necessary to refresh the graphics in the 3-D
View Panel to eliminate artifacts. Clicking the Redraw button on the toolbar will force all graphics
objects in the display to be redrawn.
3.5. Creating User-defined Variables

ANSYS Energico allows the addition of user-defined variables through the User-Defined Variable dialog,
which can be accessed from the toolbar (see Figure 3.10: Toolbar button to define custom variable (p. 16)).
Figure 3.10: Toolbar button to define custom variable
To create a user-defined variable, click the Add Variable button from the dialog, and enter a name for
the variable, as shown in Figure 3.11: Creating a user-defined variable (p. 16). Note that white spaces
and special characters (e.g., *, /, -, +) are not permitted in the names of user-defined variables.
Figure 3.11: Creating a user-defined variable
Enter the formula for the user-defined variable in the cell labeled Formula. If the formula is long, use
the “… ” button to open the Formula Editor dialog, which allows more room for editing the formula,
and provides drop-down shortcuts for inserting variables and functions. The formula in Figure 3.12: En-
Creating User-defined Variables
tering a variable’s formula for radius (p. 17) will produce a distance variable in the Y-Z plane. See the
following section for more details about formula rules and syntax. Click the Apply button when finished.
Figure 3.12: Entering a variable’s formula for radius
3.5.1. Syntax and Rules for User-Defined Variables

• White spaces and special characters (e.g., *, /, -, +) are not permitted in variable names
• Formulas may only refer to existing solution variables or existing user-defined variables as defined by the
order in which the variables are created
• The following operators are allowed for expressions involving variables:
– Addition & Subtraction: use '+ ' and '™ ' operator
– Multiplication & Division: use '* ' and '/ ' operator
– Grouping of Expressions: use '( ' and ') ' to enclose expression groups
– Function Operators
→ pow(argument, toPower) returns the argument raised to the given power
→ ln(argument) returns the natural logarithm of the argument
→ scale(argument, scaleFactor) returns the argument scaled by the scale factor
→ sin(argument), cos(argument), and tan(argument) returns the sine, cosine, and tangent
of the argument
→ asin(argument), acos(argument), atan(argument) returns the arcsine, arccosine,

and arctangent of the argument in radians
3.5.2. Examples of User-Defined Variables

Following are examples of user-defined variables that illustrate the rules and syntax outlined above.
The examples are given in the following form:
Figure 3.13: Diagram of user-defined variable examples
1. Combining several species mass fractions into a single variable (e.g., for use in a zone-filtering step in
ERN creation):
fuels = ch4 + c3h8
2. Splitting a single composite into fuel species (e.g., for surrogate fuel definition):
ch4 = 0.95*fuelsc3h8 = 0.05*fuels
3.6. Taking a Screen Capture

The 3-D View panel can be saved as a JPEG image file by clicking the Screen Capture toolbar button.
A Save dialog will prompt for a file name to be specified for the image.
Figure 3.14: Screen Capture toolbar button
Chapter 4: Overview of Workflow
The workflow within ANSYS Energico is divided into four parts, including Model Setup, Equivalent Re-
actor Network (ERN) Analysis, Lean Blow-off (LBO) Analysis, and View Results. You can go through the
required steps in the workflow by following from top to bottom the workflow tree in the left panel
within the main application window of the Energico software. The four parts of the workflow are separ-
ated by four tabs in this panel. The first tab, Model Setup, contains workflow steps relating to initial
problem setup. When all of the steps within the Model Setup tab have been completed, the ERN Ana-
lysis tab and the LBO Analysis tab become enabled. Once problem calculations are complete, the View
Results tab is enabled.
4.1. Starting Energico

These sections describe starting ANSYS Energico on Linux and Windows systems.
4.1.1. Linux
To start ANSYS Energico, on Linux systems, open a shell. Type alias to see if the chemkinpro alias
is defined. If it is, simply type energico and press the Enter key to launch the Energico Interface.
If the alias is not defined, see Setting Up Environment for Linux (p. 19) for how to initialize your en-
vironment
If you have modified your shell initialization to source the ksh file under your $REACTION_DIR for
Energico, then an alias named energico is defined and you can simply type energico and press
the Enter key to launch the Energico Interface. For details about installation and configuration, see
the ANSYS, Inc. Installation and Licensing Set.
4.1.2. Windows
To start ANSYS Energico, go to the Start menu and select ANSYS 2020 R1 > Chemkin > Energico.
For further details about installation and configuration, see the ANSYS, Inc. Installation and Licensing
Set.
4.2. Setting Up Environment for Linux

ANSYS Energico and related ANSYS Chemkin-Pro products require a few environment variables that
point to top-level directories where ANSYS Chemkin-Pro (and ANSYS Energico) was installed. You may
find it convenient to include environment settings to automatically set the variables whenever you
open a new shell.
The UNIX installation script creates two files, chemkinpro_setup.csh (C-shell) and chemk-
inpro_setup.ksh (K-shell), which define variables and aliases based upon the selections chosen
during the install. They are located in the bin directory.
Overview of Workflow
Although you can set the environment variables locally in a Linux shell every time you run ANSYS
Chemkin-Pro, we recommend that you instead include the environment settings in the file that is
sourced when you create a login shell. This is .profile (Bourne shell) or .profile_Bash (Bash) or
.login (csh or tcsh). (You can alternatively set these definitions in the file sourced whenever a new
subshell is created: .bashrc or .cshrc).
See Chemkin-Pro Linux Environment for details of the environment variables for Chemkin-Pro, which
are also relevant to Energico.
Sourcing Environment Variables in a C-Shell:
You can source the product environment variables in a C-Shell using the command line. For example,
if your installation is in the $HOME/reaction directory, where typically $HOME is the default ANSYS
install directory of /ansys_inc/v201, then you would use this command to set up ANSYS Chemkin-
Pro:
source $HOME/reaction/chemkinpro.linuxx8664/bin/chemkinpro_setup.csh
Sourcing Environment Variables in a Bash, Korn, or Bourne Shell:
You can source the product environment variables in a Korn or Bourne shell using the command line.
For example, if your installation is in $HOME/reaction directory, you would complete the following
steps to set up ANSYS Chemkin-Pro and ANSYS Energico:
1. Export the appropriate PATH and shared object library path variables with the command:
export PATH LD_LIBRARY_PATH
2. Source the Chemkin-Pro environment variables with the following command. Remember that the period
and space are required at the beginning of the command line.
. $HOME/reaction/chemkinpro.linuxx8664/bin/chemkinpro_setup.ksh
Note:
The shell scripts used to run the user Interface are Bourne shell scripts and use the chemk-
inpro_setup.ksh file to source the environment. Therefore, even if all users work in the
C shell environment, the chemkinpro_setup.ksh file is necessary.
Note:
The PATH and LD_LIBRARY_PATH variables must be exported prior to sourcing the
chemkinpro_setup.ksh file.
4.2.1. Verifying Sourcing

View the aliases that result from the sourcing. These aliases are used to start the user interfaces for
several application programs.
Use this command to view the aliases defined in your shell:

alias
Allocating Java Memory for the ENERGICO Interface
You will see that there are 4 (identically functioning) aliases defined to launch the ANSYS Chemkin-
Pro user interface. (This is due to historical reasons.) There are also aliases to launch ANSYS Energico
and Reaction Workbench. These are the aliases:
• energico
• chemkin
• chemkin-pro
• chemkin_pro
• chemkinpro
• rdworkbench
4.2.2. Sourcing from Login File

We suggest you add sourcing these ANSYS Energico start-up alias to your shell login initialization file.
The name of that file varies depending on the shell you use. All of the files start with a dot character
(hidden file in Linux ls display) and are in the user's $HOME directory:
• bash: .bash_profile or .profile sh
• ksh: .profile csh
• tcsh: .login.
In addition to defining aliases, these chemkinpro_setup.<extension> files issue other commands

that create or modify environment variables like $PATH that are required to run the Chemkin-Pro
and ANSYS Energico programs.
Caution:
The exact contents of these commands vary with each release so do not attempt to simply
copy the contents of these files into your shell initialization files. Use the source command
as described in Setting Up Environment for Linux (p. 19).
4.3. Allocating Java Memory for the ENERGICO Interface

Since the amount of memory required by ANSYS Energico to display and process a CFD model varies
greatly depending on the number of cells in the model, and there is no value that is correct for all
problems and usages. However, the interface must know at start-up the maximum amount of memory
that will be available to it. Therefore, you must specify a maximum amount of memory before or during
the launch of Energico. After you start Energico, the interface displays the amount of memory being
consumed (bottom right of the interface) to help you gain insight into the memory requirements of
working with your specific models.
When the ANSYS Energico user interface is started, it looks for an environment variable named ENER
GICO_MEMORY. If this variable has been defined, the contents of this variable are passed to the program.
The syntax for the arguments defined by the environment variable is strict and is described in
Table 4.1: Memory specification examples for ENERGICO_MEMORY (p. 22).
If ENERGICO_MEMORY is not defined, then you are prompted for how much maximum memory to allow
when the ANSYS Energico user interface is started. The prompt needs an integer value, which is the
number of GB of memory to use. You can specify an amount less than, equal to, or even exceeding the
physical RAM in your machine. Both physical RAM and swap space (or virtual memory) can be used;
but the performance deteriorates rapidly (up to 100X slower) if the swap space is used. We therefore
recommend you specify a value less than the total physical RAM available.
When the ANSYS Energico user interface starts, using the memory value you provide to the memory
prompt, only the Maximum value is used. It will initially start with less memory and grow its memory
consumption as needed up to that maximum as your Energico session proceeds (i.e., as filter operations
are applied, etc.). If you specify a value equal to the total RAM on your computer, you will notice the
performance of your other programs and your system responsiveness diminishing as the memory is
consumed by the Energico session. For this reason, we recommend specifying a value 500 MB to 1 GB
less than your total system RAM.
To specify a value that is not an integer number of GB of RAM, you need to set the ENERGICO_MEMORY
environment variable. The syntax of the string value contained within that variable is very strict. The
Java Virtual Machine, JVM, processes that string as a set of runtime arguments when it starts. The syntax
allows you to specify both starting memory consumption and maximum memory consumption. Specifying
the starting memory to be equal to the maximum memory will result in a slightly slower initial startup
of your ANSYS Energico session, but can give you slightly faster performance once started.
The syntax required to specify these values is given in Table 4.1: Memory specification examples for
ENERGICO_MEMORY (p. 22). The syntax is case-sensitive; when an uppercase or lowercase letter, such
as “X” is shown, it needs to be exactly as shown in that case:
Table 4.1: Memory specification examples for ENERGICO_MEMORY
Syntax Memory specified

-Xmx4g Specifies 4 GB maximum
-Xmx3584m Specifies 3.5 GB maximum using MB
-Xms3g -Xmx4g Specifies 3GB starting memory and 4GB
maximum
-Xms3584m -Xmx3584m Specifies 3.5 GB starting memory and
maximum
Note that the amount of used and available memory shown in the ANSYS Energico interface memory
monitor will be slightly below these values because a little memory is allocated within the JVM for in-
ternal use.
Finally, note that the ANSYS Chemkin-Pro user interface also is a Java program and also needs to have
a memory value specified. Since the amount of memory consumed is typically much less than ANSYS
Energico, we specify a default value to the JVM when the Chemkin-Pro interface starts up. The environ-
ment variable CK_JAVA_MEMORY for Chemkin-Pro can be specified in the same way as shown above
to modify this default startup value. The default for Chemkin-Pro is 1024m (1 GB) on Windows and
1536m (1.5 GB) on Linux 32-bit. For Linux 64-bit, the default is the amount of physical RAM or 3 GB,
whichever is less.
When the ANSYS Chemkin-Pro interface is shown using the ANSYS Energico View ERN command, it is
using the same JVM instance and sharing the memory with Energico. When Chemkin-Pro is separately
launched, it will use its own JVM and use the memory specified by CK_JAVA_MEMORY (or the Chemkin-
Pro default amount).
ENERGICO Preferences
4.3.1. Running ENERGICO as a Background Process on Linux Systems

To use ANSYS Energico as a background process, you must always first resolve the Java memory
prompt (see Allocating Java Memory for the ENERGICO Interface (p. 21)). To do this:
• Set the ENERGICO_MEMORY environment variable, as described in Allocating Java Memory for the ENER-
GICO Interface (p. 21), which then will allow you to start ANSYS Energico as a background process using
the “& ”
• Start from the command line, answer the memory prompt, and then use ctrl-Z ; bg to place the
process in the background.
4.4. ENERGICO Preferences

ANSYS Energico preferences may be modified by selecting Edit > Preferences from the Energico menu
bar. Preferences are grouped according to category and reside in different tabs for each category. Fol-
lowing is a description of each category and the preference items it contains.
Miscellaneous preference items having to do with basic application behavior are stored in this tab.
My Preferred Working Dir

The default working directory chosen when creating a new ANSYS Energico project.
File Editor
The file editor to use when viewing text input and output files.
HTML Browser
The browser application to associate with viewing HTML files within an ANSYS Energico session.
PDF File Reader

The PDF File Reader application to associate with displaying PDF files within the ANSYS Energico Interface.
Tool-Tip Initial Delay (ms)

The delay, in milliseconds, to incur before displaying a tool-tip when the mouse hovers over an item with
tool-tips enabled.
Tool-Tip Dismiss Delay (ms)

The time, in milliseconds, to display a tool-tip when the mouse hovers over an item with tool-tips enabled.
Warn of License Expiring (days)

Controls when a license-expiration message will be displayed on startup. If the expiration date is within
the period specified, the warning message will be displayed.
Chemistry Set History Choices

The number of past chemistry-set choices to keep present in a chemistry-set selector.
Profile History Choices

The number of past profile choices to keep present in a profile selector.
Project File History Choices

The number of past project-file choices to keep present in a project-file selector.
Working Dir History Choices

The number of past working-directory choices to keep present in a working-directory selector.
CGNS File History Choices

The number of past CGNS-file choices to keep present in a CGNS-file selector.
Auto Save Replay every

If enabled by the check box, the number of minutes to wait before writing a backup replay file.
Auto Save Project every

If enabled by the check box, the number of minutes to wait before writing a backup project file (note that
performance may be impacted by setting a small interval, as saving project files consumes system resources).
Figure 4.1: Preferences dialog - ENERGICO tab
4.4.1. Display Preferences

The display preferences tab contains preference items related to display performance and appearance.
Background Color
Allows selection of an alternate background color for the 3D viewing area.
Reverse initial normal direction for

Occasionally an imported mesh contains face information oriented opposite to CGNS conventions. This
results in the mesh appearing as though lit from the inside rather than the outside, causing a dull, dark
appearance. Reversing the normal direction for the specified items corrects the face orientation of the
mesh so that the correct side is lit.
Draw mesh lines by default

If enabled, mesh lines are visible by default in regions, zones, and flames. Mesh lines are lines outlining
each face of the CFD mesh.
Draw mesh faces by default

If enabled, mesh faces are visible by default. Mesh faces are the individual polygons residing on cell faces
that comprise the visible portions of regions, zones, and flames.
Draw mesh wireframes by default

If enabled, draws the wireframe outline of regions, zones, and flames by default. A wireframe is simplified
rendering of an item composed only of lines. Performance for large models may be improved by setting
only wireframes to be visible by default.
Enable lighting by default

If enabled, mesh faces will be rendered by default with lighting enabled.
Minimum feature angle for wireframe (degrees)

Wireframe renderings are composed of lines outlining a region, zone, or flame. Additionally, important
features in the mesh, as defined by this angle, are included as well. Setting a lower value tends to increase
the number of features displayed in the wireframe, while a higher value will decrease the number of
features in the wireframe.
Draw the Coordinate System Marker

Enable or disable the visibility of the coordinate system marker displayed in the 3D view area
Draw the Orientation Marker

Enable or disable the visibility of the orientation marker displayed in the 3D view area in the bottom left
of the screen
Default Transparency Level

Sets the default level of transparency to either High, Medium, Low, or Opaque (no transparency)
Draw internal boundaries by default

Internal boundaries are the boundaries between zones in an ERN analysis. Performance may be improved
by disabling the visibility of these boundaries by default. This preference allows a mesh-size threshold
below which the boundaries will be drawn.
Figure 4.2: Preferences dialog - Display tab
4.4.2. ERN Preferences

This tab contains preference items for many defaults used in an ERN analysis.
Restrict minimum zone size to

The default setting for minimum zone size.
Minimum flow stream fraction

Will exclude flow connections from the generated ERN where the flow stream fraction is less than this
percentage.
Default filter range type

Specifies the default filter range type for new filters.
Default reactor type

Allows the specification of the default reactor type to use in the ERN analysis.
Network Diagram Options

Allows a default projection and distance option to be specified for the ERN generation process.
4.4.3. ERN Options

Solve for Temperature
If enabled, enables the solving of the energy equation in the ERN using the CFD temperature as an initial
guess.
Heat Transfer Default

When solving for temperature is enabled, represents the heat transfer coefficient for zones connected
to wall boundaries, typically set high enough to force the solution temperature to be the wall temperature.
Residence Time from Streamlines

If enabled, uses the average streamline times calculated in each zone as the reactor residence time.
Figure 4.3: Preferences dialog - ERN tab
4.4.4. Solver Options

Absolute Tolerance Default
The default absolute tolerance to use in solving the ERN.
Relative Tolerance Default

The default relative tolerance to use in solving the ERN.
Absolute Pseudo Time Stepping Tolerance Default

Absolute tolerance used by the solver to determine convergence during the pseudo-time stepping
portion of the steady-state solver.
Relative Pseudo Time Stepping Tolerance Default

Relative tolerance used by the solver to determine convergence during the pseudo-time stepping portion
of the steady-state solver.
Minimum Species Bounds Default

Sets the minimum allowable species fraction (slightly negative to allow room for the solver to search
for a solution).
Species Positive Reset Default

When species fractions become negative during solver iterations their fractions are reset to this value.
Maximum Solver Iterations

The maximum number of solver iterations to attempt before the solver fails.
Minimum Pseudo Time Step

Minimum timestep taken by the pseudo time-step algorithm used by the steady-state solver or for ini-
tialization in case of transient simulations.
Number of Time Steps

Number of (pseudo) timesteps to be taken when steady-state Newton iteration fails to converge.
Initial Size of Time Steps

Size of (pseudo) timesteps to be taken when steady-state Newton iteration fails to converge.
Create Inlets from Source Terms

Instead of writing a species source term as a flow term, create an inlet in the diagram to represent this
term. This prevents diagram validation errors when there is flow without a corresponding inlet.
4.4.5. LBO Preferences

This tab contains preference items related to performing a Lean Blow-out analysis.
Flame Criteria
The default flame finding method to display in the Define Flame dialog.
Number of Sampled Cells

The default number of cells to sample for the LBO calculation.
Solver Absolute Tolerance

The default absolute tolerance to use in performing the LBO calculation.
Solver Relative Tolerance

The default relative tolerance to use in performing the LBO calculation.
Species Lower Bound

Sets the minimum allowable species fraction (slightly negative to allow room for the solver to search
for a solution).
Pseudo Residence Time

Pseudo residence time to enforce the sum of gas species to 1.0.
Pseudo Time-Stepping Option

Determines which solver to use during pseudo time stepping. The default value of Robust selects a robust
solver with strict error control; a value of Fast selects a less-accurate but potentially faster solver.
Maximum Time-Stepping Tries

Controls how many times the robust solver will be used to improve the initial guess during time stepping.
Generate Diagnostic Files

If enabled, will generate diagnostic output files for each cell (maximum of 100) that may be useful for
support.
Figure 4.4: Preferences dialog - LBO tab
4.4.6. Model Preferences

This tab contains preference items that aid in setting up the model.
4.4.6.1. CFD File Conventions

Species indicator strings
These preference items allow the entry of typical names that may be used to identify species in the
CGNS file. For example, if a CGNS file contained species data with the following names,“Mass_frac-
tion_CH4”,“Mass_fraction_CO” and the Species indicator strings preference item contained
“Mass_fraction_”, then ANSYS Energico would recognize the two fields as species and attempt to
match them automatically with species found in the project's chemistry set.
Default reference pressure

A default pressure offset to be applied to the pressure field stored in the CGNS file
Geometry Scale Factor

ANSYS Energico requires that the mesh coordinates and field data be stored in a consistent unit system.
Occasionally, a CGNS file may be encountered in which the mesh units are, for example, inches, and
the solution fields, i.e., Pressure, Temperature, etc., are stored in SI units. To correct the inconsistency,
the mesh should be scaled by an appropriate factor to be in consistent units with the other solution
fields. In this case, a scale factor of 0.0254 (inches to meters conversion factor) would correct the in-
consistency.
4.4.6.2. Boundary Identification

Names to associate with
Allows the entry of names with which region types may be associated, which has the effect of auto-
populating the Identify Boundaries workflow item with the matches found.
Default boundary type for unmatched name

Specifies the boundary type to associate with boundary names that were not matched by any of the
previous preference items.
Figure 4.5: Preferences dialog - Model tab
4.4.7. ERN Preferences

This tab contains preference items for many defaults used in an ERN analysis.
Restrict minimum zone size to

The default setting for minimum zone size.
Minimum flow stream fraction

Will exclude flow connections from the generated ERN where the flow stream fraction is less than this
percentage.
Default filter range type

Specifies the default filter range type for new filters.
Default reactor type

Allows the specification of the default reactor type to use in the ERN analysis.
Residence Time from Streamlines

If enabled, uses the average streamline times calculated in each zone as the reactor residence time.
Network Diagram Options

Allows specifying a default network projection option.
4.4.8. Optimizing Graphic Display on Windows Systems

If you experience very slow graphic display when running ANSYS Energico on Windows systems, it
may help to change the graphic hardware acceleration settings as follows:
1. Right click on your desktop.
2. Select Properties.
3. Click the Settings tab
4. Click the Advanced button.
5. Click the Troubleshoot tab.
6. If the hardware acceleration is set to Full on the sliding bar, change it to one level lower than Full.
4.5. Setting Up a Problem with ENERGICO (Model and Chemistry Setup

Tab)
The first part of the workflow requires identifying the CFD solution that will be used as the basis for
the ANSYS Energico analyses. Also during this initial step, a ANSYS Chemkin-Pro-compatible chemistry
set must be identified that represents the detailed chemistry (mechanism and thermodynamic data) to
be used in the Energico analyses. Additional information may be required to identify boundary conditions
and to map species from the CFD solution to the detailed chemistry set. These steps are organized in
a top-down series of steps outlined in the Model Setup tab. Each of these steps is described in more
detail below.
4.5.1. Selecting the Input Files

The following steps are required to identify the CFD and chemistry files to be used in the simulation,
as well as the working directory where output files created by ANSYS Energico will be stored:
• Select a working directory for the problem. This directory serves as the working folder for both ANSYS
Energico and ANSYS Chemkin-Pro for the current model.
• Select a CGNS file or Fluent data file for import. For details on CGNS requirements, see Reading a Solution
File (p. 59). Reading a Fluent data file will have the benefit of automating the assigning of boundary
conditions and mapping of solution variables.
Setting Up a Problem with ENERGICO (Model and Chemistry Setup Tab)
• Select a chemistry set. For details, see Setting Up Your Chemistry Set (p. 55).
4.5.2. Selecting the Volume to Import

Some CFD cases involve more than one volume to represent the domain. In these cases, you will see
multiple volumes in the Select Volume dialog box. You may choose to only import the volume(s)
where reactions are occurring in the CFD domain, such as the combustor or furnace. If you do only
select an internal volume, please be aware that the boundaries around that volume must be identified
as wall or inlet. Where there is flow across the interface boundary, it must be selected as an Inlet,
even if some portion of that interface surface is wall. In such cases, ANSYS Energico will calculate the
flow rates across interfaces into the volume that you choose to import, using cell-centered velocities
nearest the interface boundary surfaces. As a result of this derived calculation, the net inlet flow de-
termined may be slightly higher than the total inlet flow from the original (full) geometry, due to the
existence of small non-zero velocities at cell centers near wall surface elements.
Note:
After the ANSYS Energico Setup tab has been completed, it is important to compare the
values of (INLET_FLOW + SOURCE_FLOW) and OUTLET_FLOW. This can be accomplished
using VIEW RESULTS > New Table. The difference between these two values should typically
be less than a few percent. If it is greater than that, consider selecting all the volumes
and/or re-examining the boundary assignments, to more accurately represent the flows.
4.5.3. Mapping Species Names in the Chemistry Set to CFD Field Names
Once the chemistry set is defined, it is important to map the species names used in the detailed-
chemistry mechanism to the right scalar variable names associated with species used in the CFD
solution. The chemistry set selected in the previous step contains symbolic names for each species
present in the mechanism, such as “O2” or “CH4”. The CGNS data will contain fields corresponding
to some of these species. For example, there may be a solution field in the CGNS file labeled “Scalar-
ConcCH4”, representing the mass fraction of the species CH4 (methane). This solution field must be
“mapped” to the chemistry set symbol that corresponds to this species in the chemistry set, which
may be “CH4”. This mapping must be completed for each CFD solution field representing a species.
ANSYS Energico automatically performs this mapping for as many species as possible. If the automatic
mapping is unsuccessful, however, the Map Species dialog appears; in this case you must assign the
mappings manually. An example of manual mapping, where “CH4” is selected for mapping to the
CFD Symbol “ScalarConcCH4”, is shown in Figure 4.6: Map Species Names dialog (p. 34). Here, clicking
the Apply button would add the selected mapping to the list of mapped species below.
Figure 4.6: Map Species Names dialog
4.5.3.1. Specifying Fuel Source Terms for Discrete-phase Models

For CFD cases involving discrete phase models, such as liquid fuel injection, a source term variable
may be supplied for each species. The source term variable should contain the mass flow rate of
the given CFD species variable originating in each cell due to vaporization of the discrete phase.
This information is used to produce additional inlets in the generated ERN when present.
To identify a source term for a fuel species, use the Source Term pull-down list to the right of the
Mapping table in the Map Species Names dialog (see Figure 4.6: Map Species Names dialog (p. 34)),
after the species name has been mapped to the CFD name. From the pull-down list, select the CFD
variable name that represents the discrete-phase mass source term that corresponds to that species.
In some cases this will be auto-mapped, if the CFD species name is included in the CFD source-
variable name.
4.5.3.2. Specifying Fuel Properties for Discrete-phase Source Terms

If source terms for fuel species have been selected in the previous step, the additional workflow
item, Spray Source Properties, is created. Use this panel to specify the properties of the liquid-phase
fuel species to allow an accurate energy balance for reactor networks that employ the energy-
equation option.
This set of properties should be specified for each fuel species when the energy equation is used
in the ERN calculations:
• B.P. @ Operating Pressure [K]
This specifies the boiling point of the fuel at the operating pressure of the combustor. The tem-
perature specified here is used as the inlet temperature for source term inlets appearing in the
ERN.
The following three properties are optional but are recommended to obtain the most accurate
energy balance:
• H.O.V. [kJ/kg]
This is the heat of vaporization of the liquid fuel species. Specifying a value will add a heat-loss
term to reactors with inlets derived from the liquid-fuel source terms, to account for the heat
lost during vaporization of the fuel. If no value is specified, the ERN energy balance will not account
for heat lost due to vaporization of the fuel.
• Inlet Temperature [K]
This is the inlet temperature of the liquid-phase fuel in the CFD model. If specified, an additional
heat-loss term is added to reactors with inlets derived from the liquid-fuel source terms, to account
for heating of the fuel from this temperature to the boiling point, using the specific heat supplied
in the next column. If either Inlet Temperature or Specific Heat are left unspecified, the ERN energy
balance will not account for heat loss due to liquid-fuel sensible heating prior to vaporization.
• Specific Heat [kJ/kg-K]
This is the specific heat used to calculate the energy that is lost to heat the fuel from the liquid
inlet temperature to the boiling point. If this value is left unspecified, no heat-loss term will be
provided for liquid fuel heating prior to vaporization.
Figure 4.7: Spray Source Properties workflow item
4.5.4. Identifying Key Variables and Units

In addition to species, there are other variables represented in the CFD solution that must be properly
identified for use in the ANSYS Energico analyses. Energico requires that several key variables are
present in the CGNS file before analysis can proceed. The following variables are required to be in
the CGNS file:
• Density
• Absolute Pressure (or Static Pressure)
• Temperature
• Velocity (X direction)
• Velocity (Y direction)
• Velocity (Z direction)
• Turbulent kinetic energy (k)
• Turbulent eddy dissipation (epsilon)
• Mass fractions of species present in CFD analysis
Additional variables required when using discrete phase models :
• Mass source terms (kg/sec) for each species represented in the discrete phase model.
Information about the physical units for each field must also be specified at this step. In addition, a
reference value is required for the pressure field that is stored in the CFD solution, where the absolute
pressure is assumed to be equal to the reference pressure plus the pressure field value. ANSYS Ener-
gico attempts to automatically identify the key fields required. In many cases the absolute pressure
is included as a variable in the CFD solution, and the reference pressure can be left at the default
value of zero. If the automatic identification fails, the Map Variable Names dialog appears; in this case
you must identify the key fields (see Figure 4.8: Map Variable Names dialog (p. 37)). Note that even
if the automatic mapping succeeds, the units information should be verified before proceeding further,
as default values will be used if the units information is missing from the CGNS file. In addition, the
reference pressure may need to be defined even if auto-mapping of variables is successful.
Figure 4.8: Map Variable Names dialog
4.5.5. Identifying Boundaries

The ANSYS Energico analyses require inlet and outlet flow information from the CFD solution. Inform-
ation about the boundary conditions used in the CFD model must therefore be provided before
boundary types can be identified. Energico automatically identifies boundary types by name, if possible.
However, if there are boundaries that cannot be identified automatically, the Define Boundaries dialog
appears, where the user must specify the boundary types, as shown in Figure 4.9: Identify Boundaries
dialog (p. 38). The “ Region” column in this dialog reflects regions specific to the particular CFD CGNS
file loaded. The boundary type options include wall, inlet, outlet, periodic, and bleed. The bleed
boundary type and the outlet boundary type are two types of boundary conditions used to aggregate
similar fluid flows in the Equivalent Reactor Network. The aggregated flows are reported in the table
described in Creating and Exporting a Table of ERN Results (p. 73). In general the ‘outlet’ is used to
report emissions indices and other overall system data related to emissions. The ‘bleed’ represents
flow that is diverted away from where such emissions values would be measured.
Figure 4.9: Identify Boundaries dialog
If there are periodic interfaces, an additional step is required to specify the periodic transformation.
The Define Transformation dialog allows you to specify the periodic transformation (see Fig-
ure 4.10: Define Transformation dialog - Transform tab (p. 39)). In this example, the user has specified
that the CFD geometry is a 90-degree sector that would be repeated 4 times in rotation around the
Z axis.
Figure 4.10: Define Transformation dialog - Transform tab
Periodicity will match cells at one periodic boundary to the cells at another periodic boundary. This
transformed surface does not always have a perfect alignment of cells, so instead ANSYS Energico
must determine which cells are intended to be the corresponding match. In order to soften the re-
quirements for matching cells, there is a tolerance setting on the Advanced tab. Increasing this toler-
ance setting will make it easier to find the corresponding cells on the periodic boundary.
After the inlet boundary conditions have been identified, there is an optional step to specify the exact
values of the inlet conditions. This step is not necessary to create the ERN, because it will override
values calculated from the solution variables. The Inlet Condition override panel is shown in Fig-
ure 4.11: Inlet Condition specification panel (p. 40). This figure also shows two features that will only
appear when the mechanism contains a dispersed coal phase:
• Dispersed Phase Injections
• DPM input associated with a dispersed phase injection
Figure 4.11: Inlet Condition specification panel
The DPM parameters are used to specify a dispersed coal phase coming in from either:
– An inlet surface.
– An injection location that is not bound to an inlet surface.
An unbound inlet injection also requires specifying the coordinate location of the dispersed
particle source.
If the injector area and injection velocity are given, then it is used to calculate the particle
number density set in the ERN, otherwise the volume of the cell containing the injection source
is used to determine the volume fraction and number density.
The required settings can optionally be read from an exported set of injectors from a Fluent
case file, by clicking Import Injections.
Inlet Condition overrides can be applied to multiple inlets. If an inlet is specified on a non-contiguous
region, then the inlet will become split. In this instance, the Inlet Condition override can be specified
for a combination of inlets, as shown in Figure 4.12: Inlet Condition override for a combination of in-
lets (p. 41).
Generating an Equivalent Reactor Network (ERN Analysis Tab)
Figure 4.12: Inlet Condition override for a combination of inlets
4.6. Generating an Equivalent Reactor Network (ERN Analysis Tab)

Once the Model Setup is complete, you can proceed to either an ERN analysis or an LBO analysis, using
the information gathered from the CFD solution. The ERN analysis allows predictions of trace-species
emissions, using the temperature and flow information from the CFD solution. Generating an equivalent
reactor network involves algorithmically breaking the CFD model into zones, identifying which reactor
model best suits each zone, and specifying options about how the resulting reactor network will be
displayed in a 2-D diagram. These steps are included in a guided workflow within the ERN tab of the
left panel in the main ANSYS Energico application. This tab is enabled once the Model Setup is success-
fully completed. Here we describe the ERN analysis steps in detail.
4.6.1. Selecting an Algorithm Template for Zone Creation

Several pre-packaged algorithms are provided for generating equivalent reactor networks. The “Fuel-
Oxid-Temp” algorithm produces an ERN based on collecting cells that have similar fuel and oxidizer
concentrations at key temperature intervals. This algorithm is recommended for use in predicting
NOx emissions. To select this algorithm, choose the Apply Algorithm item from the ERN Analysis tab,
and select the Fuel-Oxid-Temp algorithm from the algorithm selector. Next, select the fuel and oxidizer
species from the drop-down lists in the panel if the default choices are not appropriate, and press
Apply. At this point, ANSYS Energico will perform a cell-by-cell analysis to apply the algorithm, define
zones, and calculate mass-flow streams connecting the different zones.
When the algorithm completes, several zones are created from the CFD model. The created zones
are viewable in the Zones tab of the model viewing panel. In the ERN workflow tree, a node corres-
ponding to the applied algorithm or filter step is added under the Create Zones activity.
More details about pre-packaged and user-provided zone-creation algorithms are available in Zone
Creation Algorithms (p. 62), Zone Creation Algorithms (p. 62).
4.6.2. Assigning Zone Options

Zones may be generated that do not have a significant flow rate, and that will not contribute correctly
to the overall Equivalent Reactor Network. In order to get a reasonable estimation of properties for
these low flow (dead) zones, they can be solved either in equilibrium or weighted by their neighboring
zones. The weighting factor for diffusive estimation is the neighboring zone area × the mass density
× the square of the temperature.
Zones can use the default naming scheme, which includes an arbitrarily assigned zone number, or it
can use zone properties to determine a name. The zone properties available for naming schemes in-
clude Average Temperature, Average Pressure, Volume, and coordinate locations, as shown in the
following figure:
Figure 4.13: Zone Options dialog
4.6.3. Adding Reactor Criteria

In the ERN, the zones created can be represented by either a Plug-Flow Reactor (PFR) or by a Perfectly
Stirred Reactor (PSR), or a Perfectly Stirred Reactor Solving for Temperature (PSR with the Energy
Equation). Which reactor model best represents the zone depends on the flow characteristics that
dominate in that zone. For example, if all of the CFD cells within the zone have similar streamline-
trace times and the streamline-trace time is relatively large, such that convection is dominant, then
that zone would be reasonably described as a PFR rather than a PSR. The following example
demonstrates how criteria might be used to determine which zones should be designated as PFR.
Example: Select Add Reactor Criteria from the workflow tree. Select PFR as the reactor type to assign
the selected reactors to Figure 4.14: Add Reactor Criteria dialog - Streamline Criteria (p. 43). Choose
the Select By Criteria option and select the Edit Criteria button to display the Selection Criteria
dialog. Add the criteria shown in Figure 4.15: Add Reactor Criteria dialog - Custom Criteria (p. 43),
using the Add button and making appropriate selections from the drop-down lists. This criterion selects
zones based on how close the standard deviations of streamline-trace times are grouped as well as
the length of the streamline traces. Choose OK to accept the criteria. The zones meeting the specified
criteria will be selected in the list of zones. Press Apply to apply the specified reactor type to the
selection.
Figure 4.14: Add Reactor Criteria dialog - Streamline Criteria
Figure 4.15: Add Reactor Criteria dialog - Custom Criteria
4.6.4. ERN Options

Once the ERN criteria have been established, a network diagram will be created for display within
the ANSYS Chemkin-Pro Diagram window. Since this will involve the mapping of a 3-D geometry and
reactor-connectivity onto a 2-D diagram, it can be helpful to define a projection plane for the diagram
display. Selecting the ERN Options item from the workflow tree launches a dialog containing options
for converting the 3-D network of zones into a 2-D Chemkin-Pro network-display diagram of an
equivalent reactor network (ERN), as shown in Figure 4.16: ERN Options dialog - Default and Advanced
tabs (p. 44).
Figure 4.16: ERN Options dialog - Default and Advanced tabs
Several options are provided for creating the network diagram. The zones positions will be projected
onto the 2-D diagram view by one of several options: You can select a projection along any of the
principle axes, or choose the Use Current Projection option to create a diagram based on the current
orientation of the 3-D model in the viewing area. You can also specify a minimum pixel distance
between reactor models in the generated network diagram. This will scale the diagram such that re-
actors will appear no closer than this distance (in screen pixels) within the diagram view.
4.6.4.1. Dispersed Phase Tab

The options under the third tab of the ERN Options tab are for initializing dispersed phase defaults.
Figure 4.17: ERN Options dialog - Dispersed Phase tab
Number of Moments
Specifies the number of moments used in the simulation for tracking particle size distribution.
MINMO(=3) <=NMOM<=MAXMO(=6). If NMOM = 6, then 6 moments of the size distribution function
are solved, from the 0th moment to the 5th moment.
Scaling Factor For Moments
Specifies the scaling factor for the particles moments (moments method) or number density (sec-
tional method). A non-unity value for this parameter changes the units of the (internal) solution
variable for particle moments or number density. For example, setting it to 1.0E+06 results in mi-
cromoles whereas setting it to 1.0E+09 means that it is nanomoles. A value of 1 would mean that
the unit should be moles. A recommended value for typical problems is 1.0E+12. Such scaling
helps preserve the positivity of the solution during numerical computation.
Scaling Factor for Surface Species
Specifies the scaling factor for the particle surface species concentrations. A nonunity value for this
parameter changes the units of the (internal) solution variable for particle surface species. For ex-
ample, setting it to 1.0E+06 results in micromoles whereas setting it to 1.0E+09 means that it is
nanomoles. A value of 1 would mean that the unit should be moles. A recommended value for
typical problems is 1.0E+12. Such scaling helps preserve the positivity of the solution during nu-
merical computation.
Minimum Particle Density (#/cm3)
Specifies the scaling factor for the particle surface species concentrations. A nonunity value for this
parameter changes the units of the (internal) solution variable for particle surface species. For ex-
ample, setting it to 1.0E+06 results in micromoles whereas setting it to 1.0E+09 means that it is
nanomoles. A value of 1 would mean that the unit should be moles. A recommended value for
typical problems is 1.0E+12. Such scaling helps preserve the positivity of the solution during nu-
merical computation.
Critical Particle Class
Defines a critical particle class under which the oxidation process starts to affect (reduce) the particle
number density. This parameter is only used by the particle burnout model and has no effect on
particle formation and growth. The default value is the minimum particle class plus the maximum
class change due to surface reaction.
Minimum Particle Class
Defines the smallest particle class that can exist in the system. This parameter is only used by the
particle burnout model and has no effect on particle formation and growth. The default value is
the smallest inception class defined by the nucleation reactions.
Exclude Coagulation for Particles Coagulation Collision Regime
This flag indicates the collision formulation to be used to calculate the collision rate among particles.
Three types of collision formulations are available: free molecular regime (=0), continuum regime
(=1), and transition regime (=3). The collision rate in the transition regime is obtained as the har-
monic mean of the collision rates of freemolecular regime and continuum regime. By default, the
formulation for freemolecular collision is used.
Coagulation Collision Efficiency
This is a combined correction factor to the coalescent collision between particles. The van der Waals
forces can enhance the collision frequency while non-coalescent collision can reduce the frequency.
The default value is 1.0, that is, the van der Waals effect is off and collisions are 100% coalescent.
Initial Particle Density (#/cm3)
Assigns the initial (or estimate for steady-state calculations) number density of the particle consisting
of the designated bulk species. The default value is 0.
Initial Particle Volume Fraction (cm3/cm3)
Assigns the initial (or estimate for steady state calculations) number density of the particle consisting
of the designated material name. The default value is 0.
Initial Particle Mass Density (g/cm3)
Assigns the initial (or estimate for steady-state calculations) number density of the particle consisting
of the designated material name. The default value is 0.
Initial dispersed phase site fractions
Initial values (transient) or estimates (steady-state) for the surface site fraction values for the surface
species on each surface site type (surface phase).
4.6.4.2. Advanced Tab

The options on the Advanced tab are described in Solver Options (p. 28), Solver Options (p. 28).
4.6.5. Creating and Viewing the ERN

To create and view the ERN using the ANSYS Chemkin-Pro Interface, select the Create and View ERN
workflow item. This action will launch the Chemkin-Pro Interface. See the Chemkin-Pro Getting Started
Guide manual for more information on viewing and interacting with the reactor network. Before the
Chemkin-Pro Interface launches, you are prompted to provide a working directory for the newly created
project and with a check box to save the current ANSYS Energico project.
4.6.6. Running the ERN Model

To run the model, select the Run Calculations node from the ANSYS Chemkin-Pro project tree. Al-
ternately, right-click on Run Calculations and click Open to open the Run Calculations dialog. Press
the Begin button on the Run Calculations dialog.
4.6.7. Viewing the Results

When the ERN calculation is complete, select the Analyze Results item from the ANSYS Chemkin-Pro
project tree. By Default, View Results in ANSYS Energico will be selected.
Figure 4.18: Analyze Results dialog
Select Next Step to launch the Select Post-Process Variables dialog, which allows selection of variables
to include in the ERN results. The Data Selection tab allows the selection of solution results in each
cluster, and the Units of Measure tab allows the selection of units for the various quantity types. Select
Process Solution Data to gather and send the results to ANSYS Energico for post-processing. Ener-
gico will set the View Results tab to be current.
Figure 4.19: Select Post-Processing Variables dialog - Data Selection tab
Figure 4.20: Select Post-Processing Variables dialog - Units of Measure tab
4.7. Performing a Lean Blow-off Analysis (LBO Analysis Tab)

In addition to an ERN analysis, you can also perform an LBO analysis. Like the ERN analysis, the LBO
analysis is enabled once the Model Setup steps are successfully completed. A workflow for the LBO
analysis is described in top-down sequence within the LBO Analysis tab in the left panel of the ANSYS
Energico main application window. An LBO analysis consists of defining one or moreflame zones, and
performing a detailed chemistry calculation on a sampling of cells in each flame zone to determine the
chemical time based on detailed kinetics calculations. The chemical time is then compared to the scalar
or turbulent-mixing timescale from the CFD solution to determine an appropriate Damkohler number
(Da) that can be used for stability analysis. The resulting Damkohler number is displayed on the flame
front to show where areas of LBO may be of concern. Details of the LBO analysis and theory are provided
in Lean Blow-off Analysis (p. 79).
Performing a Lean Blow-off Analysis (LBO Analysis Tab)
4.7.1. Selecting a Flame-finding Algorithm

Before an LBO analysis can be conducted, ANSYS Energico finds the flame region, based on the CFD
simulation. Several algorithms are provided for identifying the cells contained in the flame zone. For
example, the “Upwind and Downwind Flame” algorithm finds flame cells based on fuel and temper-
ature gradients. Here, “ upwind” refers to looking at gradients opposite to the direction of the flow
and “ downwind” refers to looking for gradients in the direction of the flow. The combination should
provide a depiction of the entire flame region. To use the Upwind and Downwind Flame algorithm,
select the Find a Flame item from the LBO Analysis tab. Select the Upwind and Downwind Flame
option in the dialog that appears, and select the fuel species and flow direction if the default choices
are not appropriate. Press the Apply button. When the processing is complete, the flame cells are
highlighted in the model viewing panel, and an item is inserted in the workflow tree containing the
flame settings.
For further details, see Flame Capturing Algorithms (p. 81) and LBO Analysis Options (p. 84).
4.7.2. Running the LBO Analysis

Once ANSYS Energico has determined the location of the flame, an LBO analysis can be performed
on the chosen flame. To perform the detailed kinetics calculations on a sample of cells inside the
flame region, select the Evaluate LBO item from the workflow tree. Select the flame created in the
previous step (Flame 1, by default) and, if desired, change the value in the Number of Sampled
Cells. By default, all cells in the flame will be calculated, but calculating a smaller number will speed
the LBO analysis. After clicking the Run Analysis button, a progress bar will appear, that will display
the percentage of the cell calculations that have been completed.
Figure 4.21: Evaluate LBO dialog
Note:
Note: The larger the number of “sampled cells,” the slower the calculation will be, but also
the more accurate the results will be.
4.7.3. Viewing the Results

To view the LBO analysis results, select the View Results tab from the workflow tree, after the LBO
calculation is complete. The View Results dialog will appear with options for displaying the calculated
Damkohler number (Da) or the chemical-timescale information on the sampled cells. As a general
guideline, Da > 1 tends to associate with LBO and Da < 1 is associated with stable flames. More detailed
information about the LBO analysis results are discussed in Viewing LBO Results (p. 86).
4.8. Saving ENERGICO Project Data

An ANSYS Energico project file (“.ckcgns” file) contains encoded Energico ERN and LBO project data
and results, the chemistry set reference, and the original CGNS data.
An ANSYS Energico project file can be saved or loaded at any time by selecting either the Save Project
or Open Project command from the File menu. The contents of the Energico project file include:
• The original CGNS solution data
Saving ENERGICO Project Data
• ERN definition and results
• LBO flame definitions and results
• Display settings
• Saved plots and tables
• References to the chemistry set location used in the analysis
• Reference to an ANSYS Chemkin-Pro project, if one has been created as a result of the analysis.
Note that neither the actual chemistry set data nor the ANSYS Chemkin-Pro project itself are saved inside
the ANSYS Energico project file. Energico projects are saved with the extension “.ckcgns”.
When switching from the ERN Diagram View you will be prompted to save any changed ANSYS Chemkin-
Pro Project data. Note that any projects within the ERN diagram view need to be saved independently
of the ANSYS Energico project.
4.8.1. Loading ENERGICO Project Data

To load an existing ANSYS Energico project, select File > Open Project. If the location of the referenced
chemistry set cannot be found, the Select Files panel prompts for an alternate path to the chemistry
set.
4.8.2. ENERGICO Replay Files

An ANSYS Energico replay file (“.ckses” file) contains problem setup information, ERN and LBO analysis
settings, and view settings. It is different than a project file in that a project file will contain all of the
information in a replay file as well as CGNS data and ERN and LBO results, which makes the project
file much larger in comparison. If a project file is thought of as a complete analysis, a replay file may
be thought of as the collection of steps that created the analysis, and as such may be used as a
template that can be applied to similar CFD models.
Save a replay file at any time by selecting the File > Save Replay File option from the File menu.
Additionally, replay files are saved automatically at a user-configurable interval. (Select Edit > Prefer-
ences to manage auto-save behavior.)
To load a replay file, select File > Load Replay File from the File menu.
4.8.3. ENERGICO Archive Files

An ANSYS Energico archive file (“.ckgzip” file) contains compressed project data and archived chemistry
set input and output files. It is location-independent and may be shared with other users.
Note:
The archive is the preferred file format with which to communicate ANSYS Energico support
issues.
To save or load an ANSYS Energico archive file, select File > Archive. Specify a name for the archive,
which will receive a “.ckgzip” extension.
To restore from an existing ANSYS Energico archive file, select File > Unarchive. Select the desired
“.ckgzip” file, then select a working directory for the problem.
4.9. Getting Assistance

Sources of assistance and ANSYS contact details are listed in Getting Help and Support (p. 111).
Chapter 5: Setting Up Your Chemistry Set
Incorporating detailed chemistry into the LBO and ERN Analyses used in ANSYS Energico requires a
chemistry set. The chemistry set consists of element and species information, species properties, reaction
paths, and reaction-rate parameters. The set of reaction paths and rate parameters are often referred
to as a kinetics mechanism. The ANSYS Chemkin-Pro standard format for this type of chemical information
is used by Energico and Chemkin-Pro. While detailed information on setting up chemistry sets within
Chemkin-Pro is provided in the Chemkin-Pro Input Manual and Chemkin-Pro Theory Manual, here we
describe the main aspects of the chemical kinetics input required by ANSYS Energico.
5.1. Required Components of a Chemistry Set

The required pieces of the chemistry set include the thermodynamic properties for each species in the
chemical system, as well as the reaction paths and the temperature- and pressure-dependent rate ex-
pressions that govern the creation and destruction of individual species This information is stored in
one or more input files, under two sections labeled THERMO and REACTIONS. The chemistry set may
also include surface chemistry associated with particle formation and destruction. Such information
may be required when particle-formation is being tracked in the ANSYS Energico simulations. The ANSYS
Chemkin-Pro chemistry set consists of file pointers to species property data files and the reaction-
mechanism files, contained in a file with a .cks file extension. The .cks file is created when the chemistry
set is first created, either in Chemkin-Pro, or within the ANSYS Energico Utility options. Once created,
it can be accessed and verified in the Model Setup step of the Energico workflow.
5.2. Further Details of the Chemistry Set

A variety of input formats are described in the Chemkin-Pro Input Manual. This manual is available from
these locations:
• In the Help menu of the ANSYS Energico or ANSYS Chemkin-Pro applications.
• From the Windows Start menu: Program Files\ANSYS Inc\V201 > ANSYS Chemkin-Pro > Documentation.
5.3. Verification of Chemistry-set Data
In addition to working with chemistry sets within the ANSYS Chemkin-Pro interface, you can access a
utility for creating or editing a chemistry set from the ANSYS ANSYS Energico Utility menu. Selecting
the Run Chemistry Set Pre-Processor command opens the window shown in Figure 5.1: Chemistry
Setting Up Your Chemistry Set
Set Pre-Process Utility (p. 56). This dialog allows specification of the chemistry input files that comprise
the chemistry set.
Note:
Note: LBO analyses require that the chemistry set contain specification of transport-property
data for all of the species in the system.
Figure 5.1: Chemistry Set Pre-Process Utility
5.3.1. Troubleshooting
Clicking the Run Pre-Processor button in the ANSYS Energico Utility panel causes the input file to
be read and processed to determine if the data contained in the file are consistent and correctly
entered. Should errors in the input exist, messages are generated in a diagnostic output file. If no
errors are encountered, then the chemistry set is ready for use.
When the pre-processing step does indicate errors, then the information under View Results provides
more details on the problems encountered. Messages found in the Gas-Phase Kinetics Output and
Gas Transport Output will explain the issues, which might include:
1. Lack of conservation of elements or mass in a reaction.
2. Multiple instances of a specific reaction path (without explicitly flagging them as duplicates).
3. Incompatible reaction-rate expressions.
4. Corrupted species thermodynamic data that prevent reading of the name, elements, or property values.
5. Corrupted formatting of a reaction-rate expression.
Verification of Chemistry-set Data
6. A species in a reaction that was not identified for the system or that does not have associated thermody-
namic data.
In the View Results file, descriptions of inconsistencies are preceded by the word ERROR. Descriptions
of the data format and formulation requirements can be found in the ANSYS Chemkin-Pro document-
ation, which is available from these locations:
• In the Help menu of the ANSYS Energico or ANSYS Chemkin-Pro applications.
• From the Windows Start menu: All Programs > ANSYS 2020 R1 > ANSYS Chemkin-Pro > Documentation.
Chapter 6: Reading a Solution File
6.1. Solution File Options

Both Fluent case and data files (without user defined functions), and the generic CGNS solution files,
are acceptable formats as input to ANSYS Energico. The Fluent case and data file format has the benefit
of automatically mapping boundary conditions and solution variables.
6.2. About the CGNS File Format

The CGNS (CFD General Notation System) file format provides a way to communicate CFD analysis data
across platforms and between different CFD vendors. More information about the CGNS format can be
found at http://www.cgns.org/.
While the CGNS standard accommodates many different kinds of analysis data, in practice, CFD vendors
may sometimes omit key information when exporting to the CGNS format. In particular, if no 2-D region
information is stored in the CGNS file, there is no clear way to recover and identify the boundary con-
ditions applied in the model. In this special case, an additional file identifying the 2-D regions may be
provided as supplemental input to ANSYS Energico, using a special format. For information about this
format, please see Appendix A: Importing a CGNS File from CFD Software (p. 113).
To determine if a CGNS file requires this additional input, simply attempt to load the file in the “Select
Files” step as described in Selecting the Input Files (p. 32) on Selecting the Input Files (p. 32). If addi-
tional input is required, an additional file entry selection will become visible, where the ANSYS boundary
file should be specified. If no additional file-entry dialog appears, then the CGNS file contains the required
boundary information.
ANSYS Energico includes a CGNS utility for converting vertex-based solution data to cell-centered data.
See Appendix C: CGNS Utility (p. 125) for details.
6.3. Compatibility with Commercial CFD Software

In general, the CGNS data file must contain a minimum set of data, as described below. Not all of the
CFD variables are required for ANSYS Energico input. The CGNS file size can be optimized by only in-
cluding the variables that Energico requires.
ANSYS Energico requires the following variables:
• Mass fractions of all species
• Static Temperature
• Density
Reading a Solution File
• X Velocity
• Y Velocity
• Z Velocity
• Turbulent Kinetic Energy (k)
• Turbulent Dissipation Rate (epsilon)
Files for processing in ANSYS Energico must not include:
• UDF (user-defined function)
Additional variables required when using discrete phase models :
• Mass source terms (kg/sec) for each species represented in the discrete phase model.
Note:
ANSYS Energico supports the following elements:
• --Volume elements HEXA_8, PENTA_6, TETRA_4, PYRA_5, NFACE_n, according to CGNS naming
convention.
• --Surface element types QUAD_4, TRI_3, NGON_n, according to CGNS naming convention.
The following commercial CFD software include export utilities for the CGNS format and have been
tested with ANSYS Energico:
• FLUENT
• CFX
• STAR-CDAppendix A: Importing a CGNS File from CFD Software (p. 113)
Chapter 7: Equivalent Reactor Network Analysis
For gas turbine and other combustor manufacturers, there is an increasing need for in-depth knowledge
about combustion-related chemistries embedded in their systems. This is partly driven by requirements
to reduce emissions and to boost energy efficiency under environmental regulations, and partly due
to increasing global competition that stimulates aggressive approaches in product designs.
An ideal approach to incorporate accurate chemistry capability in computational fluid dynamic (CFD)
simulations for combustion processes would be to directly couple transport (fluid mechanics) and
chemistry, where transport equations of all fluid species are solved with species and energy production
rates determined by detailed chemistry. However, such a direct-coupling approach can be computationally
prohibitive, because detailed combustion chemistry of practical fuels involves a large number of species
and the equations are stiff in most cases. Consequently, there is increasing emphasis on methods that
provide indirect coupling of fluid dynamics and chemistry. The reduced-chemistry CFD model, for ex-
ample, retains the complexity of fluid mechanics, but the chemistry is either replaced by a global rate
expression or calculated separately and determined through lookup tables. Thus, the large number of
species is replaced by a few conserved scalars, such as the mixture fraction and progress variable, which
reduces the computational intensity and removes the stiffness that typically comes with combustion
chemistry. However, the accuracy of the chemical information predicted by such an approach is also
greatly reduced.
The ANSYS Energico ERN Analysis overlays this simplified-chemistry CFD approach with a simplified-
transport/detailed-chemistry approach to get the best of the transport and the best of the chemistry
information available. The reduced-transport model requires a solution from either a reduced-chemistry
or a fast/global chemistry CFD simulation as a starting point. Using the flow-field information from this
preliminary solution, the computational cells can be lumped into a number of special zones that can
be linked together, accounting for flow between neighboring zones in an equivalent reactor network
( ERN). The ERN mainly consists of idealized reactor models such as perfectly-stirred reactors (PSR) and
plug-flow reactors (PFR). The reduced-transport model makes simulations with detailed combustion
chemistry feasible by assuming fine features of heat and mass transport such as diffusion and turbulence
mixing. Influences of geometry and large-scale fluid motions are kept through the use of flow connectivity
among the reactors in the ERN.
Since pollutants are formed by chemical reactions involving intermediate species in flame and post-
flame regions, adequate emission predictions require implementation of detailed combustion chemistry.
Moreover, pollutants such as NOx are formed slowly as the flue gas travels through the post-flame region.
The local NOx level is strongly affected by the thermal and chemical history that the “fluid particle” ex-
perienced. Small-scale mixing processes and local thermochemical properties also have minor influences
on local NOx concentration. Therefore, local NOx concentration cannot be correctly predicted simply by
plugging local gas composition and temperature values into a detailed chemistry model through lookup
tables. In this respect, the ERN has significant advantages in predicting emissions of trace species in a
combustion system, because it can address the history of the fluid and the flow connectivity in the
network.
ANSYS Energico provides a great degree of flexibility for defining and extracting zones, or equivalent
reactors, from a CFD solution. The flow domain or a zone can be partitioned according to values of any
parameter, such as a CFD solution variable or a derived calculation from a few solution variables. The
Equivalent Reactor Network Analysis
parameters, or criteria, selected to define the zones depend on the purpose of the ERN analysis. In most
cases, temperature is used to separate hot and cold spots in the flow domain, due to the important
role of temperature in determining dominant kinetics behavior. Once the flow domain is divided into
a number of zones, each zone may be assigned a reactor type, ( PSR or PFR) based on its flow residence
time distribution. To take advantage of CFD's detailed heat-transfer models, each reactor in the ERN
may be assumed to be isothermal. The reactor temperature is determined by the mass-weighted average
of temperatures in CFD cells comprising the zone:
(7.1)
Other properties can be used to determine the zonal breakdown, such as mixture fraction or turbulence
parameters. Net flows into the system from external boundaries are determined based on the CFD flow
solution, including inlet composition. Rigorous accounting of the flow into and out of each zone assures
overall mass conservation in the ERN representation of the combustor.
7.1. Creating an ERN

The definition of the reactor network is based on the conditions by which the CFD cells are grouped.
These grouped cells are then combined into contiguous zones.
The filter for creating zones is defined in the ERN Analysis tab, as described in Selecting an Algorithm
Template for Zone Creation (p. 42) . A pre-packaged algorithm can be used, which is a collection of
filters applied for the purpose of creating an ERN for a specific type of emissions calculation, such as
NOx. A filter is created based on the local values of variables found in the original CFD solution. The
zones are created by successive applications of filters. Once the zones are created, the reactor model
representing that zone can be changed based on the properties of the cells in the zone. By default,
reactors are assumed to be perfectly stirred reactors (PSR).
Once the zones have been created, there is a translation to an equivalent reactor network, with reactor
models' constraints and input conditions automatically generated based on the corresponding collective
zone properties.
7.2. Zone Creation Algorithms

Pre-packaged algorithms are provided for the most common applications of emissions predictions.
However, these can be customized or new algorithms can be created using the zone-creation tools
available in the ERN Analysis workflow tree. For guidance in constructing your own algorithms, contact
ANSYS Support.
7.2.1. Pre-packaged Options

For convenience, ANSYS Energico provides several pre-packaged zone filtering algorithms. These pre-
packaged zone filtering, or zone creating, algorithms can be found by clicking on the Apply Algorithm
node of the ERN Analysis tab. The pre-packaged, or previously saved, zone filtering algorithms are
listed in the box on the left side of the panel. You can select one of the algorithms from the drop-
down menu, provide definitions of fuel and/or oxidizer species, if needed, and click OK to create a
zone. Figure 7.1: Zone Operation dialog for applying a pre-packaged zone filter (p. 63) shows the se-
lection of a pre-packaged zone-filter algorithm.
Zone Creation Algorithms
Figure 7.1: Zone Operation dialog for applying a pre-packaged zone filter
7.2.2. Creating or Editing Zone Filters

A new algorithm for zone creation can be generated by selecting the Filter Zones item in the ERN
Analysis tree. Within the display for creating a new filter, shown in Figure 7.2: Filter Zones dialog enables
the creation of custom filters (p. 63) , the filter is applied to the zone selected from Available Zones,
using the given Field to differentiate created zones, and using the given number of intervals to sep-
arate the geometry being considered. A user-defined interval can be generated by changing the entry
under Interval Distribution ; otherwise a linear subdivision of intervals is applied.
Figure 7.2: Filter Zones dialog enables the creation of custom filters
Once a filter is created, it is then available for editing. The new filter can be edited by clicking on the
corresponding item under the Create Zones item in the ERN Analysis tree.
7.2.2.1. Using Criteria to Select from the Available Zones

To select from the available zones using conditional criteria, such as temperature above a specified
value, select the Custom Criteria option shown in Figure 7.6: Add Reactor Criteria dialog used to
specify a non-standard reactor type (p. 66) . Define a criterion using the form in the dialog. Functions
that are available for use in defining the criteria include:
Average Evaluates the averaged value of the selected field in each existing zone
Mass Average Evaluates the mass-averaged value of the selected field in each existing zone
Minimum Evaluates the minimum value of the selected field in each existing zone
Maximum Evaluates the maximum value of the selected field in each existing zone
St. Deviation Evaluates the standard deviation of the mass-averaged value of the field in each existing
zone
Zone Value Evaluates one of several calculated properties in each existing zone such as surface
area, volume, mean streamline time, etc.
Constant Allows numeric input from the user conforming to the Constant formula requirements
for User-Defined Variables (see Syntax and Rules for User-Defined Variables (p. 17) for details)
For example, to apply the current filter step only to zones with an average temperature greater
than 1500 K and whose volume is greater than 5.0e-5 m^3, use the criteria in Figure 7.3: Selection
criteria for zone with temperature > 1500K and volume > 5.0e-5m^3 (p. 64) . Zones that meet both
criteria will be selected for the current filter. Once the criteria are applied, the zones that meet the
criteria are highlighted in the zone list on the filter-definition dialog, and on the corresponding
geometry view.
Figure 7.3: Selection criteria for zone with temperature > 1500K and volume > 5.0e-5m^3
7.2.2.2. Merge Zones

Two or more zones that are geometrically connected may be merged into a single zone. Select the
Merge Zones item from the workflow tree and then select which zones to merge.
Zone Creation Algorithms
Figure 7.4: Merge Zones dialog
7.2.2.3. Grow Zones

A zone may be increased in size one cell-layer at a time by selecting the Grow Zones item from
the workflow tree. Select which zone to grow and specify the number of cell-layers to add in the
Grow Zones dialog that appears.
Figure 7.5: Grow Zones dialog
7.2.3. Saving for Later Use

After a filter is created, a template of the filter can be saved for future use. To save the template, click
on the Save As Algorithm item in the ERN Analysis tree. The information that was used to create
the current set of zones is now saved in an algorithm-template. A saved user-created template is
applied by selecting the option From file from the options under Select an algorithm in the window
shown in Figure 7.1: Zone Operation dialog for applying a pre-packaged zone filter (p. 63) .
7.3. Setting Reactor-type Criteria for Zones

If a zone is not well described by the default reactor type, then an option exists for specifying a unique
reactor type based on a given criterion. To specify reactor types, click Add Reactor Criteria in the ERN
Analysis tree. Either select the zones directly from the selector on the left side of the Add Reactor Cri-
teria dialog and assign a reactor type, or choose the Select by Criteria option and specify criteria with
which to select zones. This second method is illustrated in Figure 7.6: Add Reactor Criteria dialog used
to specify a non-standard reactor type (p. 66) and Figure 7.7: Selection Criteria dialog for editing reactor
criteria for selecting zones (p. 67) .
Figure 7.6: Add Reactor Criteria dialog used to specify a non-standard reactor type
Setting Reactor-type Criteria for Zones
Figure 7.7: Selection Criteria dialog for editing reactor criteria for selecting zones
7.3.1. Setting Reactor Defaults

The default reactor type used in the ERN is a stirred reactor (PSR). You can change this by selecting
the Set Default Reactor Type option from the ERN Analysis tab, as show in Figure 7.8: Set Default
Reactor Type dialog (p. 68) .
The available default reactor types are:
• Perfectly Stirred Reactor
• Perfectly Stirred Reactor with Energy Equation
• Plug Flow Reactor
• Plug Flow Reactor with Energy Equation
7.3.1.1. Energy Equation Heat Transfer Assumptions

When using a reactor type with the energy equation option (such as PSR with Energy Equation or
PFR with Energy Equation), it is possible to set a heat transfer coefficient between the zones and
walls. If a non-zero heat transfer coefficient is supplied in the Advanced tab of the ERN Options
panel (see Figure 7.10: ERN Options dialog - Advanced tab (p. 70) ) heat transfer will be accounted
for between zones that touch a wall boundary condition using the surface area in contact with the
wall and the specified heat transfer coefficient. Note that heat transfer is ignored if a zone is not
an energy-solving type or does not touch a wall boundary.
Figure 7.8: Set Default Reactor Type dialog
7.3.2. Equivalent Reactor Network Options

The layout of the reactors in the network can be altered in the ERN Options panel. On the Default
tab, there is an option to aggregate inlet streams according to the name of the inlet boundaries from
the CFD solution, so that each inlet boundary is represented by an inlet stream in the ERN.
When the solution represents a chemical reaction depleting a given species as a negative source (or
sink) term, this can lead to instability in the ERN. To correct this inherent instability of a sink term in-
dependent of the composition, an option to "Linearize" a sink term (see Figure 7.10: ERN Options
dialog - Advanced tab (p. 70) ) is available in the Advanced section of the ERN Options panel. To
linearize the sink term means that the effective sink will have a linear dependency on that species
composition.
Instead of writing a species source term as a flow term, use the option to Create an Inlet from Source
Terms (see Figure 7-10) in the diagram to represent this term. This prevents diagram validation errors
when there is flow without a corresponding inlet.
The source terms can be set directly in the reactor model, or they can be written as inlet streams.
Representing a source as an inlet stream prevents a validation error when there is mass flow coming
from a reactor, but no inlet stream corresponds to it.
Setting Reactor-type Criteria for Zones
Figure 7.9: ERN Options dialog - Default options for reactor and stream layout
7.3.3. Solving for Temperature

Under the Advanced tab of the ERN Options are various solver options available for an ERN. One of
these options will attempt to determine the temperature of the zones based on solving the energy
equation. This option assumes that the temperatures of zones in contact with a wall are well repres-
ented, so there is consequently a high heat transfer coefficient and a wall temperature determined
from the CFD solution. This option requires setting the reactor type to PSR with Energy Equation
or PFR with Energy Equation.
Figure 7.10: ERN Options dialog - Advanced tab
Viewing and Analyzing Results
7.4. Solving the ERN

Once the reactor zones are specified, and the appropriate reactor types have been assigned, then the
execution of the reactor network will employ detailed chemistry for each zone. To solve a reactor network
in the ERN viewer, select the Run Model option in the tree, then click the Begin button. Once the
simulation run is complete, the Analyze Results node on the Open Projects tree is active. A successful
run will automatically open the Analyze Results panel, as seen in Figure 7.11: Analyze Results panel - to
execute calculations on all zones in the ERN (p. 71) .
Figure 7.11: Analyze Results panel - to execute calculations on all zones in the ERN
7.5. Viewing and Analyzing Results

There are several ways to visualize and examine the results of an ERN simulation. The calculated
chemistry state in each zone can be viewed using contour plots mapped onto the CFD geometry and
the zone-by-zone numerical results can also be exported to a text table. In addition, if you have performed
a parameter study using the ERN in ANSYS ANSYS Chemkin-Pro, you can use the Chemkin-Pro Graphical
Post-Processor to plot results for each zone as a function of the modified parameter. Variables that can
be viewed in these three ways include zone parameters, species fractions, and species rates-of-production,
as well as a number of derived variables that facilitate analysis of the combustor design.
7.5.1. Mapping Results of the ERN onto the CFD Geometry

Once a simulation of the ERN has been run, the results can be mapped back onto the CFD geometry.
Viewing the ERN solution can be done by selecting the View Results in ANSYS Energico option in
the Analyze Results window that is displayed in the ANSYS Chemkin-Pro Interface after successful
completion of an ERN simulation. After selecting this option, the Next Step on the panel takes you
to a panel that allows selection of the Post-processing Variables that should be included in the
post-processing session. Use the Process Solution Data button after selecting the desired output or
accepting the default selections. This action will cause the parsing and collection of data from the
solution of each reactor in the network and then activate the Energico screen with the View Results
tab activated. Selecting ERN Results Plot in the View Results tree opens the Define ERN Plot dialog
(Figure 7.12: Define ERN Plot dialog (p. 72) ).
Figure 7.13: Total NOx production rate example. Each zone, consisting of a collection of cells, is colored
according to the result determined by the ERN (p. 73) shows the zones painted according to the
zone's total NOx production rate, as determined by the ERN simulation, for example.
See Viewing Results (p. 91) for more information about creating and managing plots.
Figure 7.12: Define ERN Plot dialog
Figure 7.13: Total NOx production rate example. Each zone, consisting of a collection of cells,
is colored according to the result determined by the ERN
7.5.2. Creating and Exporting a Table of ERN Results

The ANSYS Energico Create a Table option allows zone properties and ERN results to be displayed
as text in a table format and, optionally, to be exported to a CSV file compatible with Microsoft Excel
® and other third-party analysis packages. From the View Results tab, select New Table. A new table
can also be initiated by selecting the table icon from the Energico toolbar. The New Table action
launches the Configure Table Data panel (Figure 7.14: Creating a table by selecting zones and vari-
ables (p. 74) ). Select the desired zones from the list of zones on the left-hand side of the Configure
Table Data panel, and select the desired variables to include in the table from the right-hand side.
Use the Shift key to select multiple zones and to select multiple results or zone fields. Note that the
Outlet Mixer, at the bottom of the zone list, provides the summary (net) values at the exit of the
combustor that was represented by the ERN. Once you have made appropriate selections, use the
View Table button to create and view the table. The columns of the resulting table can be moved
by dragging them, and the table rows can be sorted by clicking the column headers. In the Table
Viewer, you can export the data to a *.csv file using the Export button. The exported data can be
easily imported to Excel or other third-party programs and can also imported into the ANSYS Chemkin-
Pro Visualizer.
Figure 7.14: Creating a table by selecting zones and variables
Figure 7.15: Data table created by Create a Table Utility
7.5.3. Derived Emissions Data

Aside from the zone parameters and the variables describing the thermochemical state of each zone,
there are a number of derived variables that are automatically calculated in the ANSYS Energico ERN
analysis. Most of these derived variables represent ways of scaling and presenting emissions data to
align with common industry usage. Table 7.1: Derived Variables (p. 75) lists the available derived
variables and a description of each. Details on the calculations for the Zone Contribution to Total NOx
Production and the Emissions Indices are given in Calculation of Zone Contribution to Total NOx
Production (p. 76) and Calculation of Emissions Indices (p. 77) , respectively.
Table 7.1: Derived Variables
Variable Definition
Unburned The Unburned Hydrocarbons (UH) value is defined as:
Hydrocarbons
where is the number of carbon atoms per molecule in

species , and is the mole fraction of species . Here,
hydrocarbons are those molecules that contain one or more
of both the elements carbon (C) and hydrogen (H), and no
other elements.
Volatile Organic The Volatile Organic Compounds (VOC) value is defined as:
Compounds
where nC i is the number of carbon atoms per molecule in

species i, and X i is the mole fraction of species i. Here, a
volatile organic compound is defined as a species containing
one or more of both the elements carbon (C) and hydrogen
(H), but the molecule may include other elements, such as
oxygen (O) or nitrogen (N).
Parts Per Million CO The Gas phase volumetric fraction of CO expressed in parts
Dry Basis (ppmvdCO) per million, after removing the volumetric contribution of
water.
Parts Per Million NO The Gas phase volumetric fraction of NO expressed in parts
Dry Basis (ppmvd NO) per million, after removing the volumetric contribution of
water. The defining equation is the analogous to the equation
for CO.
Parts Per Million NOx The Gas phase volumetric fraction of NOx expressed in parts
Dry Basis (ppmvd NOx) per million, after removing the volumetric contribution of
water. The defining equation is the analogous to the equation
for CO, but NOx includes the volumetric contributions of NO,
NO2 and N2 O.
Variable Definition
Zone Contribution to A percentage of a single zone's contribution in relation to the
NOx Production final outlet flux of all NOx species. The defining equations are
elaborated in Calculation of Zone Contribution to Total NOx
Production (p. 76) .
7.5.3.1. Calculation of Zone Contribution to Total NOx Production

The Zone Contribution to NOx Production is the fraction of the NOx production rate in a single re-
actor zone, relative to the flux rate of all the NOx exiting the system (see Figure 7.16: Schematic of
NO mass production/consumption rate (p. 77) ). It is expressed as a percentage, but there is no
guarantee that the zone contributions all sum to 100%. This is due to the form of the expressions
used to calculate this property. The first expression is used to calculate how much NOx is being
produced or depleted in a single reactor. For example, the expression for the NO contribution to
the NOx mass production rate for reactor is shown in Equation 7.2 (p. 76) .
(7.2)
In Equation 7.2 (p. 76) , where is the molar production rate of NO [mol/sec-cm3 ] of reactor ,
is the volume [cm3 ] of reactor , and is molecular weight of NO [gm/mol].
The second expression is used to calculate the mass flux of NOx leaving the system. For example,
the outlet NO mass flow rate [gm NO/sec] is computed from the result of the last gas mixer as
shown in Equation 7.3 (p. 76) :
(7.3)
In Equation 7.3 (p. 76) , is the total combustor outlet mass flow rate [gm/sec] and is the
NO mass fraction in the final gas mixer.
The same calculation is repeated for the NO2 contributions to the NOx production and flux.
Typically, due to the longevity of the NOx species, the sum of over all zones should be
a non-negative number unless some external inlet streams contain NO and/or NO2.
Figure 7.16: Schematic of NO mass production/consumption rate
7.5.3.2. Calculation of Emissions Indices

An important result from ERN calculations is the net emissions index (the emission indices described
here represent system values.) for a particular species at the combustor outlet. The outlets of the
entire ERN are therefore brought together into a single mixer within the ERN diagram. This becomes
the final ERN calculation. This construct is particularly useful for studying emissions indices.
The emissions indices are displayed in the outlet mixer entry of the summary table shown in Fig-
ure 7.15: Data table created by Create a Table Utility (p. 74) . Emission indices are calculated using
the mass flux of an emission species, and the total mass flux of fuel species entering the system
from all external inlets.
(7.4)
Emission species include NO, NO2, and CO.
The emissions index of NOx is defined as the sum of the emission indices of NO and NO2, in terms
of NO2 equivalent:
(7.5)
where MW is the molecular weight of a species.
7.5.3.3. Emissions Index at a Single Reactor

For each reactor, the emissions index of a species A is defined as the sum of all previous emissions
indices, starting at zero, plus the sum of all rates of production of A(ROPAii) times the molecular
weight of A(W A), divided by volume (V), divided by inlet mass flow rate of fuel (F fuel).
(7.6)
Emissions indices are reported in the ANSYS Chemkin-Pro Visualizer for NOx and CO. They are also
included in the diagnostic output file for the reactor, which can be found in the details of the Run
Calculations panel. In addition to this overall summary information for the combustor, specific results
for each reactor in the ERN can be mapped back to the CFD geometry, as described below.
7.5.4. Viewing ERN Parameter-study Results in ANSYS Chemkin

When a parameter-study has been set up and run within the ANSYS Chemkin-Pro interface for the
ERN, it is often useful to plot results as a function of the varied parameter(s). This option is available
within the Chemkin-Pro Interface, using the ANSYS Chemkin-Pro Visualizer. For this method of viewing
results, each zone can be viewed individually to determine the composition and properties as a
function of a varied parameter. To use the Chemkin-Pro Visualizer in this way, choose Analyze Cluster
Results instead of View Results in ANSYS ANSYS Energico in the Analyze Results panel in the
Chemkin-Pro interface. Each Cluster of reactors (zone) can be viewed by selecting it from the Solution
to View pull-down menu, as shown in Figure 10.7: Analyze Results panel in ANSYS Chemkin-Pro for
setting up parameter-study results analysis (p. 106) . See the Chemkin-Pro Visualization Manual for
further plotting instructions.
Chapter 8: Lean Blow-off Analysis
Utilization of very fuel-lean premixed flame (dry low emission technology) is one of the strategies adopted
by modern gas turbine combustors to suppress NOx, CO, unburned hydrocarbons ( UHC), and CO2
emissions. From the combustor-design point of view, the ultimate goal is to push the premixed flame
to be as lean as possible without going under the Lean Blow-off (LBO) limit. Furthermore, with the use
of opportunity fuels gaining popularity, gas-turbine manufacturers are routinely required to verify the
impact of various fuels on operability and emissions. Since fuel-lean premixed flames are very sensitive
to their surrounding environment due to relatively slow chemical reaction and small heat release, it is
especially important to have an analysis tool that can quickly assess the effects of variations in environ-
ment and fuel composition on stability as well as on emissions. ANSYS Energico's LBO Analysis tool fills
this role and is designed to be applicable to a broad spectrum of combustors.
8.1. Background: Damkohler Number Approach

Blow-off is the static instability limit of a combustor and refers to the event when the flame fails to
anchor at the designated location in the combustor. In general, blow-off occurs when the time required
for significant chemical reaction becomes longer than the flow or mixing residence time of the combus-
tion zone. Therefore, we can relate the blow-off limit to the ratio of flow residence time to a character-
istic chemical kinetic timescale, i.e., the Damkohler number:
(8.1)
Using this definition, a Damkohler number of ~1.0 would indicate near blow-off condition. When Da is
greater than 1, blow-off is likely to occur in the combustor. The Damkohler number has been found to
capture the influence of fuel variation on blow-off trends. In many cases, the lean blow-off limit could
correlate to a specific Damkohler number value, which could serve as a measure to determine LBO
limits of a combustor system. However, the critical Damkohler number may vary from one combustor
configuration to another and is therefore best correlated with the experience of a particular group or
family of designs.
The characteristic chemical timescale of a combustor system can be estimated by various methods.
When blow-off limits of premixed flames are considered, the characteristic chemical time is often given
as
where and are, respectively, the laminar flame speed and mixture thermal conductivity. Alternatively,
the blow-off residence time determined by the perfectly stirred reactor model can be adopted as the
chemical time of the same premixed-flame system. In some studies, the space velocity of the combustor
system is often regarded as the flow residence time. However, these approaches require a large degree
of empirical correlation, do not account well for local variations in the flow, and are not generally ap-
plicable over a wide range of conditions or combustors.
The main issue in applying the Damkohler number is in identifying an appropriate characteristic
chemical time and characteristic flow residence time of the combustor system. The two above mentioned
methods of estimating chemical time are simple and would work well for combustors with a single inlet
Lean Blow-off Analysis
and with uniform fuel-air mixture. In such cases, the reference velocity and equivalence ratio, which are
used to compute chemical time, are well-defined. However, in many practical gas turbine combustors,
the inlet equivalence ratio might not be uniform. Moreover, the combustor could have several inlets
with different gas compositions. All these factors attribute to the ambiguity of defining characteristic
flow residence time and chemical time of the combustor system.
ANSYS Energico's LBO analysis option provides an innovative way to address the issue of defining
Damkohler numbers for a combustor by taking advantage of the local flow and thermochemical prop-
erties extracted from a CFD solution and the detailed combustion kinetics available in the ANSYS
Chemkin-Pro chemistry set. Rather than trying to find and work with “global” chemical and flow
timescales for the whole combustor, the LBO analysis tool defines the appropriate timescales locally to
address the spatial variation of mean flow, turbulence, and gas-mixture properties. Since Energico requires
a CFD solution to be loaded when it starts, the idea of “local” LBO analysis works well within Energico's
framework. The local, or CFD cell, flow residence time can be defined by either the mean cell velocity
and volume or by the cell turbulence kinetic energy and dissipation rate (or by the minimum of the
two). The local chemical timescale is estimated by a representative reaction-rate based on cell temper-
ature and gas composition, based on a detailed combustion-chemistry calculation for each cell. The
LBO tool will verify the integrity of the flame locally and provide the overall soundness of the flame
zone visually as contours of local Damkohler number. The Damkohler number distribution exposes the
location and the size of the stable flame core in the combustor. By examining the structure and topology
of the flame core, the integrity of the flame or the likeliness of blow-off can be determined.
8.1.1. Determining Which Cells to Consider

Although the LBO analysis feature requires a “hot” CFD solution showing a combustion zone in the
flame-holding region of the combustor, the flame zone predicted by the CFD solution has not neces-
sarily been verified by a detailed balance of kinetics in the flame regions. The LBO analysis feature
provides a means to determine whether the CFD-predicted flame can survive when the reduced-
chemistry used by the CFD solution is replaced by more accurate detailed kinetics. The first step,
then, is to identify where the CFD solution predicts the flame to be. Once an ideal flame is found,
the LBO analysis will test the flame by substituting the CFD’s approximate chemistry with detailed,
finite-rate chemistry.
To maximize the simulation efficiency, the LBO analysis limits its focus to cells involved in the CFD-
predicted flame region of the combustor. The LBO analysis first identifies the location of the flame
in the CFD solution by using a pre-defined or a user-defined “flame definition”. A flame definition
can be derived from the CFD solution by using temperature, temperature gradient, reactant/product
mass fraction, or mixture fraction/progress variable. The LBO analysis further allows sampling of only
a specified number of the cells, randomly selected from within the flame. These representative flame
cells are selected by an automated algorithm to ensure that the entire ideal flame zone is properly
characterized.
8.1.2. Flow Timescale of a CFD Cell

The flow residence time of a CFD cell is characterized by two fluid dynamic processes. A mean flow
residence time is defined by the mean velocity magnitude at the cell center and the volume of the
cell. For turbulent flows, a large eddy turnover timescale, or the scalar mixing timescale, can be ob-
tained from turbulence kinetic energy and kinetic energy dissipation rate in the CFD cell. The charac-
teristic flow residence time is defined by the smaller value of the two local flow timescales.
Flame Capturing Algorithms
8.1.3. Chemistry Timescale of a CFD Cell

The LBO analysis computes chemical timescale on a cell-by-cell basis by using detailed combustion
kinetics contained in the chemistry set defined during the Model Setup. The chemical timescale cal-
culation is carried out in two steps. A steady-state, adiabatic simulation is first performed on the se-
lected flame cell, accounting for all net incoming fluxes to the cell. This step is to determine the detailed
thermochemical state of the cell under the most favorable heat and mass-transfer scenario, but with
detailed combustion kinetics. Once the detailed gas composition and cell temperature are obtained
from this steady-state cell simulation, the mean heat release rate and sensible enthalpy are computed
and used to determine an appropriate chemical timescale of the cell. The formulation employed to
compute the chemical time from cell heat-release rate and cell sensible enthalpy is given as
(8.2)
where is the heat release rate and is the sensible enthalpy change. The sensible enthalpy
change is the difference in sensible enthalpy between the complete combustion mixture and the
current steady-state gas mixture obtained from the cell calculation. When the cell is chemically inactive,
i.e., , and the cell Damkohler number is set to a large value.
8.2. Flame Capturing Algorithms

ANSYS Energico provides two predefined methods for obtaining the region in a CFD model that represent
areas in which flame-stabilization chemistry is likely to exist. The first method attempts to obtain cells
in the model that represent the initiation region of a flame (Upwind Flame), while the latter attempts
to obtain cells in the post-initiation region of a flame (Downwind Flame). Each method requires know-
ledge of the species representing the fuel, as well as the axis most closely aligned with the main flow
direction. Additional methods are provided that allow advanced users to implement their own flame
criteria.
8.2.1. Creating or Editing

To create a flame using one of these criteria, select the LBO Analysis tab from the workflow panel.
Select the Find a Flame Region action from the workflow tree. Select one of the flame-finding choices,
and complete the expression to describe the criteria, or for a user-defined flame, see the instructions
in User-defined Flame (p. 83) . Click the Apply button to create the flame. Once processing is complete,
the flame will appear in the Flames tab of the model viewing panel, as shown in Figure 8.1: Find Flame
results in 3D Viewer (p. 82) .
Figure 8.1: Find Flame results in 3D Viewer
To edit an existing flame, double-click the flame from the workflow tree, which causes the Flame
Definition dialog to appear.
To remove a flame from the analysis, right-click on the flame in the workflow tree and select the Re-
move option.
The flame-capturing algorithms that come pre-packaged with ANSYS Energico are implemented as
described in the following sub-sections.
8.2.1.1. Upwind Flame

An upwind flame consists of cells sharing the following characteristics:
• A strongly negative temperature gradient with respect to the cell velocity vector.
• A strongly positive fuel gradient with respect to the cell velocity vector.
• A location within the first 50% of the model bounds, as defined by the choice of axis aligned with the
dominant flow direction.
8.2.1.2. Downwind Flame

A downwind flame consists of cells sharing the following characteristics:
• A strongly positive temperature gradient with respect to the cell velocity vector.
Flame Capturing Algorithms
• A strongly negative fuel gradient with respect to the cell velocity vector.
• A location within the first 50% of the model bounds, as defined by the choice of axis aligned with the
dominant flow direction.
8.2.1.3. Upwind and Downwind Flame

For convenience, an additional choice (upwind and downwind flame) is provided which combines
the result of both flame types into a single flame.
Figure 8.2: Find a Flame Region dialog - Upwind and Downwind Flame
8.2.1.4. User-defined Flame

You may also provide your own method of determining which cells belong to a flame by creating
user-defined criteria.
To create a user-defined flame, select User Defined from the list of flame choices provided in the
Find a Flame Region dialog. Click the Add button to insert a new criteria into the table.
Select a variable to evaluate from the list on the left side of the table, and enter an expression
evaluating to a constant in the right-hand side. Choose an appropriate comparison operator from
the middle list. For each entry in the table, the value of the selected variable at every cell in the
model will be evaluated and compared with the expression on the right, using the selected com-
parison option. If a cell meets all of the criteria specified, it will be added to the user-defined flame.
Figure 8.3: Find a Flame Region dialog - User Defined Flame
8.3. LBO Analysis Options

The LBO Analysis is launched by clicking the Evaluate LBO node on the LBO Analysis workflow tree.
The top portion of the Evaluate LBO panel, shown in Figure 8.4: Evaluate LBO dialog - Basic Control
tab (p. 85) , lists flames available for the LBO analysis. Control parameters related to the computational
processes of the LBO analysis are given at the bottom of the panel. The Basic Control tab presents
control parameters that are likely to be modified by the user when numerical difficulties are encountered.
The only required user input on the Basic Control tab is the Number of Sampled Cells. You have the
option to perform LBO analysis on a selected number of the cells in the flame zone. The LBO analysis
tool will select the cells evenly from within the calculated flame zone. For convenience, the total number
of cells in the flame is shown on the same panel. You may also modify the absolute and relative tolerances
used by the solver in the LBO analysis. These options may be used to optimize the convergence in the
LBO calculations. The Species Lower Bound is the largest negative species mass fraction allowed in
the iterations during the calculations. Sometimes small negative species mass fractions are inevitable
with the iterative solver methods and the coarse input information provided by the CFD solution. Re-
laxing this lower bound value gives the underlying solver greater flexibility during the iteration process.
LBO Analysis Options
Figure 8.4: Evaluate LBO dialog - Basic Control tab
In very extreme circumstances, you will need to adjust the values of control parameters on the Advanced
Control tab (shown in Figure 8.5: Evaluate LBO dialog - Advanced Control tab (p. 86) ), such as Pseudo
Residence Time, a relaxation factor. When the CFD cell under investigation is very coarse or highly
distorted, heat and mass fluxes estimated from the properties of neighboring cells can be unrealistic.
Increasing the value of this factor can help the solver to converge under this kind of situation. In addition,
there is a Pseudo Time-Stepping Option that determines which of two time-integration options are
used to assist in the steady-state convergence. You may select between a more robust “true transient”
integrator to perform pseudo time-stepping during the search for a steady-state solution or a “fast” in-
tegration option. To choose the “fast” option, set the Pseudo Time-stepping Option to Fast, otherwise
the “true transient” integration option will be used that may be slightly less robust. The choice of
method will not affect the steady-state solution, but may affect the convergence behavior. In some
cases, the pseudo time-stepping process may run into difficulties. The Maximum time-stepping Tries
sets the limit on the number of continuous time-stepping trials that are performed on the current CFD
cell before the solver gives up and moves on to the next cell selected. When the Generate Diagnostics
Files box is checked, a diagnostic file will be created for each CFD cell sampled by the LBO analysis.
These diagnostic files are located in the working directory and may be used by ANSYS Technical Support
to help diagnose the reasons behind any convergence failures.
Figure 8.5: Evaluate LBO dialog - Advanced Control tab
8.3.1. Damkohler Number Cut-off Value for LBO

In theory, the Damkohler number associated with the blow-off limit can be represented by a universal
value, the critical Damkohler number, DaLBO [1] (p. 129) [2] (p. 129). The critical Damkohler number has
a value of 1 by definition. However, in practice, the critical Damkohler number may depend on other
factors. For your system, you may want to correlate calculated Da to either very detailed CFD results
that include direct coupling to chemistry or to experimental observation. This practical critical
Damkohler number can then be used as the upper bound for viewing the LBO results for a family of
combustor systems. See Understanding Significance of Results (p. 88) , Understanding Significance
of Results (p. 88) .
8.4. Viewing LBO Results

The results of the LBO analysis can be viewed by selecting the View Results item from the LBO workflow
tree, which will activate the View Results tab and launch the Define LBO Plot dialog (Figure 8.6: Define
LBO Plot dialog (p. 87) ). The plot scale can be adjusted by editing the Minimum and Maximum entries
in the dialog. See Viewing Results (p. 91) for more information about managing and creating plots.
Viewing LBO Results
Figure 8.6: Define LBO Plot dialog
The sampled cells are colored with the selected variable (Damkohler number, by default) within the
flame boundary, which is automatically rendered transparently. Additionally, chemical timescale, as
calculated by the detailed kinetics analysis, is available for viewing on the sampled cells, and can be
selected from the Select LBO Result drop-down selector in the Display Variables dialog, shown in Fig-
ure 8.7: Display Variables dialog with LBO analysis selected (p. 88) . The plot scale can be adjusted by
editing the Lower range and Upper range entries in the dialog, and selecting the Display button to
refresh the current view.
Figure 8.7: Display Variables dialog with LBO analysis selected
Note:
Note: The standard color range is automatically flipped for viewing Damkohler number, i.e.,
red color represents lower values and blue color represents higher values. This was done to
avoid confusion, since blue typically means “cold” (no flame) while red means “hot” (flame
OK) which correspond to Damkohler values (low Damkohler number indicates stable flame,
high Damkohler number indicates flame instability).
8.4.1. Understanding Significance of Results

The LBO analysis tool is designed to provide critical information for determining the integrity of the
flame under investigation. The ultimate decision of whether the flame is stable or not is up to the
user, based on his or her own experience, and will likely require empirical verification on representative
cases. However the LBO analysis allows exploration of LBO issues in a CFD simulation, using a very
Viewing LBO Results
computationally efficient means, while accounting in detail for local flow and chemistry phenomena.
Using the Damkohler-number approach, the local, or cell, blow-off limit can be represented by a
critical Damkohler number, DaLBO. The critical Damkohler number is usually considered to be 1, unless
it is calibrated to a different number by experimental observations on a particular type of combustor.
When plotting the local Damkohler-number distribution in the flame zone, this critical Damkohler
number can be used as the upper bound, while using 0 as the lower bound. The resulting Damkohler-
number contours will then show cells and/or regions where local blow-off occurs as those cells have
the color associating the extreme level of the contours. For example, a flame cell is marked in blue
if it is unlikely to sustain finite-rate combustion and the flame zone is considered stable when most
flame cells in the flame core are red. See Figure 8.8: LBO results (p. 89) .
Therefore, for a stable flame, the blow-off cells should locate mostly on the perimeter of the flame
zone. On the other hand, if there is a considerable number of blow-off cells sitting in the flame core,
the flame can be interpreted as being at or near its lean blow-off limit. Once the flame core is divided
by contiguous blow-off regions, the real flame is likely to be blown out.
Figure 8.8: LBO results
Chapter 9: Viewing Results
Selecting the View Results tab from the Workflow panel allows viewing the results of:
• An ERN analysis.
• LBO analysis.
• Results from the existing CFD solution.
9.1. Creating a Visualization Plot

If you would like to create a visualization of an analysis variable on the model geometry, choose one
of the available plot types from the actions present on the workflow tree, as described below and illus-
trated in Figure 9.1: Defining Plot Criteria (ERN) (p. 93). Note that the plot types are enabled only when
the specific analysis has been performed. For example, the LBO plot action is only available after an
LBO analysis has been performed.
Following the analysis, the Plot Settings dialog appears. It contains the available variable choices and
locations for the given plot type.
9.1.1. Selecting a Variable

Select the variable to plot from the drop-down list of variable choices. If an ERN results plot contains
multiple solutions (i.e., a parameter study has been run), an additional selector is present with which
to select a solution.
For variables with associated units, change the unit set with the unit selector.
9.1.2. Selecting the Plot Range

By default, the minimum and maximum values for the plot ‘snap’ to the global range of the selected
variable. Selecting the Snap to Local Range check box will change this behavior so that the minimum
and maximum range will ‘snap’ to the minimum and maximum values of only the plot locations cur-
rently selected.
If the variable value is positive over its entire range, the scale can be set to logarithmic increments
by selecting the Use Log Scale check box.
The default color range for plots will map low values to blue and high values to red. To reverse the
color map so that high values map to blue and low values map to red, select the Reverse Color Scale
check box.
Viewing Results
9.1.3. Selecting the Plot Locations

Based on the selected plot type, one or more types of locations will be available for plotting. For
convenience, the list of available plot locations can be modified by adding or removing all boundaries,
zones, or flames using the check boxes corresponding to these plot types.
9.1.3.1. Available Locations for CFD Plots

CFD variables may be plotted on any combination of boundary, zone, or flame.
9.1.3.2. Available Locations for ERN Plots

ERN results are stored on a per-zone basis, thus the only locations available for plotting ERN results
are zones.
9.1.3.3. Available Locations for LBO Plots

LBO results are stored on a per-sampled-cell basis, thus the only locations available for plotting
LBO results are flames.
9.1.4. Previewing the Plot

Once the settings for a plot have been defined, the plot can be previewed by clicking the Preview
button at the bottom of the dialog.
9.1.5. Adding the Plot to the Project’s Plot List

To add the current plot to the project’s list of plots, click the Add to Plot List button. The plot will
be added to both the workflow tree and the Model View tab. The Plot Settings dialog will remain
visible, and the button caption will change to Apply Changes. To exit the Plot Settings dialog, click
the Cancel button.
Creating a Visualization Plot
Figure 9.1: Defining Plot Criteria (ERN)
9.1.6. Managing the Project’s Plot List
9.1.6.1. Editing a Plot

To edit the settings of an existing plot, left-click the item representing the plot in the Workflow
panel. The Plot Settings dialog will appear, as shown in Figure 9.2: Modifying Plot Criteria (p. 94).
To apply changes, click the Apply Changes button.
Viewing Results
Figure 9.2: Modifying Plot Criteria
9.1.6.2. Renaming or Removing a Plot

To rename an existing plot, right-click the plot’s item in the workflow tree to bring up a context
menu, and then select the Rename option. Enter a new name in the dialog that appears to rename
the plot.
To remove an existing plot, right-click the plot’s Workflow item in the Workflow panel to bring up
a context menu, and then select the Remove option. The plot will be removed from both the
Workflow panel and the Model View tab.
9.1.6.3. Changing the View Properties of a Plot

To edit the view properties of a plot, right-click the plot’s item in the Model View tab to bring up
a context menu containing view properties that can be modified for the plot, such as transparency,
mesh visibility, face visibility, etc. See Figure 9.3: Modifying view properties of a plot (p. 95).
Streamlines
Figure 9.3: Modifying view properties of a plot
9.1.7. Populating ERN Results for 3rd-Party Visualization

If you would like to view the ERN results in a 3rd-party visualization package, select the Export ERN
command in the Utility menu. There are two formats available for an ERN export, as shown in Fig-
ure 9.4: Export ERN options (p. 95): CGNS format and a Fluent Interpolation file format. Both formats
set ERN results into corresponding cell-centered solution vectors. ANSYS Energico then prompts you
to select which solution data and which parameter studies to use in the exported solution file.
Figure 9.4: Export ERN options
9.2. Streamlines
ANSYS Energico calculates streamline traces for each zone which may be made visible within the zone’s
context menu. The streamline traces are also available for plots that contain zones as locations, and
will be colored by the variable being plotted. Typically, transparency must be set to a setting other than
Opaque for the streamlines to be visible. Figure 9.5: Streamline for CFD solution (p. 96) demonstrates
Viewing Results
a CFD Plot whose streamlines have been made visible by selecting the Draw Streamlines option and
setting the Transparency option to Medium.
Figure 9.5: Streamline for CFD solution
9.3. Creating a Table

To create a table of analysis data, select the New Table Workflow item from the Workflow panel. The
Table Settings dialog will appear. Various options for modifying the table are shown in Figure 9.6: Cre-
ating a Table from Analysis Data (p. 97).
• Select the rows of the table by selecting locations from the list on the left panel.
• Select the columns of the table by selecting variables from the list(s) on the right side of the table.
• To create and view the table, click the View Table button. The units from the Unit Preferences are used to
display the selected content.
9.3.1. Adding the Table to the Project’s Table List

To add the current table to the project’s list of tables, click the Add to Table List button. The table
will be added to the workflow tree.
Creating a Table
9.3.2. Exporting the Table Data

The table data can be exported to a CSV-formatted file by clicking the Export button at the bottom
of the table being viewed.
Figure 9.6: Creating a Table from Analysis Data
9.3.3. Managing the Project’s Table List
9.3.3.1. Editing a Table

To edit the settings of an existing table, click the table’s workflow item in the Workflow panel. The
Table Settings dialog will appear. Changes can be applied by clicking the Apply Changes button.
9.3.3.2. Renaming or Removing a Table

To rename an existing table, right-click the table’s workflow item in the Workflow panel to bring
up a context menu and select the Rename option. Enter a new name in the dialog that appears
to rename the table.
To remove an existing table, right-click the table’s workflow item in the Workflow panel to bring
up a context menu and select the Remove option. The table will be removed from the Workflow
panel.
Viewing Results
9.4. Loading and Saving View Settings

Plot and Table settings are saved to the ANSYS Energico project data whenever a project is saved. Ad-
ditionally, the view settings for a project may be exported/imported to/from a “.ckview” file for use in
a similar project.
9.4.1. Saving the Current View Settings

To export/save the current view settings, click the Save as View Template item from the Workflow
panel, and choose a filename with which to save the settings.
A “.ckview” file contains a data section for each plot that stores selected locations, selected variable
names, range settings, and display attributes. It also contains a data section for each table that stores
the selected locations and variables for each.
9.4.2. Loading View Settings from an Existing .ckview File

To load/import view settings from an existing .ckview file, click the Load View Template item from
the Workflow panel and select the file to load, as shown in Figure 9.7: Load or Import View Settings
from View Template (.ckview) (p. 98). A prompt will ask whether or not the current view settings are
to be replaced or appended.
If the Replace option is selected, the current list of plots and tables will be deleted before adding
the content from the specified file. If the Append option is selected, the content from the new file
will be added to the current list of plots and tables.
Figure 9.7: Load or Import View Settings from View Template (.ckview)
Chapter 10: Using the Parameter Study Facility
This section provides a description of the Parameter Study capabilities in ANSYS Energico and in the
ANSYS Chemkin-Pro interfaces.
An important aspect of the ERN is the ability to quickly evaluate how small changes in input parameters
would affect the outcome, prior to re-running the full CFD solution. In this way, initial scoping of the
parameter space can save significant computational time. For example, small changes to the inlet fuel
composition can generally be made without invalidating the flow field or temperature solution. Such
parameter studies can be performed using the Parameter Study Facility within the ERN Diagram View.
The ANSYS ANSYS Chemkin-Pro interface is then launched when the View ERN option is selected in
ANSYS Energico.
A Parameter Study can easily be used to define a large set of cases to run, where each case involves a
change of one or a few parameters. These cases can be set up in an efficient manner and you can
monitor the progress of the runs through either the ANSYS Energico or ANSYS Chemkin-Pro Interface.
A Solution Harvester parses solution files over all runs to create a merged solution set, which can then
be easily analyzed with the ANSYS Chemkin-Pro Visualizer.
This section describes how to set up a Parameter Study of one or more parameters, how to run the
models involving Parameter Study, and how to post-process the solutions. We recommend that you
first read through Chemkin-Pro Getting Started Guide so that you are familiar with using the ANSYS
Chemkin-Pro Interface and Visualizer.
10.1. Overview of the Parameter Study Facility Options

Two methods are provided for generating parameter study variations. The first method, using the ANSYS
Energico ERN Analysis workflow tree, allows the specification of variations on the properties of:
• Inlet Species Composition
• Inlet Mass Flow Ratio
• Inlet Fuel Air Ratio
• Inlet Temperature or Mass Flow Rate
The second method for the specification of parameter studies can be found in the ANSYS Chemkin-Pro
interface, which is described in Chemkin-Pro Getting Started Guide.
10.2. Setting Up a Parameter Study in ENERGICO

This section describes how to produce a parameter study, using an example that alters the inlet prop-
erties of the wall jet can combustor that is discussed in Energico Tutorials .
Using the Parameter Study Facility
10.2.1. Setting Up an Optional Parameter Study

The parameter variations can be specified through the Equivalent Reactor Network Analysis workflow
tree, as shown in Figure 10.1: Parameter study creation section of the Equivalent Reactor Network
Analysis workflow tree (p. 100) . This allows the aggregation of a set of inlets and/or mass sources,
and allows the manipulation of associated properties in a series of parameter-study runs.
Figure 10.1: Parameter study creation section of the Equivalent Reactor Network Analysis
workflow tree
10.2.2. Sets of Inlets and Mass Sources

The Add Inlet/Source Set item on the workflow tree launches a dialog that allows selection of which
inlets and mass sources will be acted on for different parameter-study variations. The definition of
these inlet and source sets will be used in the manipulation of the varied properties in the parameter
study.
The dialog for specifying an inlet/source set is shown in Figure 10.2: Definition of an inlet/source
set (p. 101) . At the top is the name specification of the set, and below it is a list of inlets and mass
sources that can be selected for inclusion in the set. The default state is to select every entry in this
list, whose contents can be manipulated by adding selection criteria. Selection criteria added to the
list in the center will filter out content of the list of inlet and mass sources on the left.
Setting Up a Parameter Study in ENERGICO
Figure 10.2: Definition of an inlet/source set
Applying the changes creates a new entry in the workflow tree that is used in the creation of the
parameter variation. In the example shown in Figure 10.2: Definition of an inlet/source set (p. 101) ,
we have selected inlets where the fuel (methane) mass fraction is greater than a minimum value, in
order to identify the premixed fuel/air inlets and distinguish them from air inflows.
10.2.3. Parameter Variation of Sets

The Add Parameter Variation option in the workflow tree allows specifying one of four different kinds
of parameter variation options. The first option is to alter the species composition (in terms of mass
fractions) of an inlet and source set, as shown in Figure 10.3: Variation of a species composition (p. 102)
.
Figure 10.3: Variation of a species composition
The values in the Start and End field represent the mass-averaged values that will be used to change
the content of the selected inlet and mass source set for the given number of parameter studies. The
selected species shown in Figure 10.3: Variation of a species composition (p. 102) is CH4. On the right-
hand side of the panel, the N2 and O2 species are identified as species whose mass fractions need
to be modified proportionally to account for the change in the Varied Species, such that the sum
of the mass fractions continues to be one for each case. The Start and End value for CH4 is initially
populated with the nominal fraction value; Edit these text boxes to control the values that will be
used in the parameter study. The values can be populated based on a fixed increment or a fixed
number of values, by selecting from the pull-down menu to the right of the Start/End values and
the corresponding entry to the right of that. In Figure 10.3: Variation of a species composition (p. 102)
, the settings will generate 4 (# values) cases, where the CH4 mass fraction will vary linearly from
0.0851 to 0.092, as shown in the first column of the resulting values table. The Set Values button
automatically calculates the values that will be used to alter the composition of the inlet and mass
sources in the parameter study. For the inlet-composition parameter study, the total and relative inlet
mass flow rates remain the same as for the nominal case.
Setting Up a Parameter Study in ENERGICO
The second option for the variation of the inlet properties is to alter the flow rate ratios of two in-
let/mass source sets, as shown in Figure 10.4: Varying flow ratios (p. 103) . The selected inlet sets will
pre-populate the content of the start ratio, and will automatically adjust the magnitude of the two
inlet sets, while keeping the sum of flow rate constant. With all properties, the values in the table are
mass averaged, and the resulting parameter study will adjust individual inlets and mass sources in a
set in proportion to their initial value.
Figure 10.4: Varying flow ratios
The third option for specifying an inlet/source parameter variation is through fuel-to-air ratios, as
shown in Figure 10.5: Fuel/Air Ratio option for specifying parameter studies (p. 104) . For this type of
problem, you have to select which species in the inlet correspond to the fuel (as in the left panel
labeled Fuel in Figure 10.5: Fuel/Air Ratio option for specifying parameter studies (p. 104) ) and which
species correspond to air (as in the right panel in Figure 10.5: Fuel/Air Ratio option for specifying
parameter studies (p. 104) labeled Air). Then you need to select whether you want to fix the fuel air
flow (Fix Air Flow radio button) and vary only the fuel flow or fix the fuel mass flow (Fix Fuel Flow)
and vary only the air flow to achieved the desired fuel-air ratio variation. The Fuel/Air ratio is specified
on a mass basis and is pre-populated in the Start/End boxes by the nominal value for the inlet selected.
The Set Values button populates the table below the button with the resulting flow rate values and
inlet mass fractions for each species affected by the parameter study.
Figure 10.5: Fuel/Air Ratio option for specifying parameter studies
The last option for changing inlets is through the direct manipulation of a single property, as shown
in Figure 10.6: Parameter study of a flow rate of an inlet/mass source set (p. 105) . In the example
shown, the mass flow rate is selected from the pull-down list of properties for the selected Inlet Set,
with units for the values of g/sec selected in the units pull-down list to the right of the property. The
parameter study generated will linearly vary the fuel mass flow rate from 0.1126 g/s to 0.01 g/s over
four different runs, as indicated in the table below the Set Values button.
Running Parameter Study
Figure 10.6: Parameter study of a flow rate of an inlet/mass source set
Additional parameter study steps can be added independently or can be superimposed on top of
previously defined parameter studies. The ERN Analysis workflow tree has a “Review Setup” node,
which will display in tabular form the combination of all Parameter Studies that have been set up for
the open project.
10.3. Running Parameter Study

Once a parameter study has been set up in ANSYS Energico, the ERN can be run for each case within
ANSYS Chemkin-Pro, using the Chemkin-Pro Parameter Study Facility, and results can be mapped back
to Energico as described in Viewing and Analyzing Results (p. 71) . From the Energico Interface, use
the Create & View ERN option in the Create ERN node of the project tree to launch the Chemkin-Pro
Interface, just as you would for a non-parameter-study case. Within the Chemkin-Pro project, a parameter
study will be automatically set up based on the Energico Parameter Study specifications. Where the
CFD inlets are split into multiple inlets in the ERN diagram, the appropriate accounting of the inlet
variations will be mapped onto each affected Chemkin-Pro inlet, and reflected in the pre-populated
parameter study. Within the Chemkin-Pro interface, the Parameter Study will be carried out in a series
of runs, where a separate subdirectory for each run will be created beneath the Project Working Directory.
The Run Working Directory contains a copy of all needed input files and the output files generated by
the run. The Solution Harvester is invoked during post-processing of the Parameter Study. The Harvester
serves to parse the solution files generated for each run and creates a merged solution set that can
easily be analyzed using the visualization options of the Chemkin-Pro Post-Processor.
Details on how to run a Parameter Study and post-process results are provided in Chemkin-Pro Getting
Started Guide. We briefly describe the major steps here.
After creating the Parameter Study, you can run the Parameter Study in ANSYS Chemkin-Pro by:
1. Double-clicking the Run Calculations node in the ANSYS Chemkin-Pro project tree, and selecting Para-
meter Study in the dialog that opens. Click Begin to start the analysis running. The Monitor Project Run
panel shows progress on individual runs and the combined job.
There are two options for post-processing or visualizing the parameter-study solution results. (A)
Use the View Results in ANSYS Energico option in ANSYS Chemkin-Pro. (B) Use the Chemkin-Pro
Post-Processor. This can be convenient for looking at the details of each simulation. These options
are described below.
Figure 10.7: Analyze Results panel in ANSYS Chemkin-Pro for setting up parameter-study results
analysis
10.3.1. Viewing Results in ENERGICO

1. From the ANSYS Chemkin-Pro Interface’s Analyze Results panel, select the View Results in ANSYS Energico
option. (Selecting the Analyze Cluster Results option opens the Chemkin-Pro Post-Processor as described
in Viewing Results in ANSYS Chemkin-Pro (p. 108) Section 7.6.3.2, below).
2. Once the results have been loaded, results can be viewed in tables. Create a new table using the Create
a Table item in the workflow (Creating a Table (p. 96) ), and select the desired ERN result from the drop-
down list of possibilities.
Figure 10.8: Configure Table Data panel in ENERGICO for setting up parameter-study results
analysis
3. The second method for viewing parameter-study results is to create an ERN results plot from a parameter
study. Create a new ERN Results Plot (Mapping Results of the ERN onto the CFD Geometry (p. 71) ) and
use the Select Data Set drop-down list to select the desired data set.
Figure 10.9: Define ERN Plot panel in ENERGICO for setting up parameter-study results
analysis
10.3.2. Viewing Results in ANSYS Chemkin-Pro

To view parameter-study results in the ANSYS Chemkin-Pro Interface, from the Analyze Results panel,
select the Analyze Cluster Results option. This opens the Chemkin-Pro Post-Processor as described in
Section 2.3.6 of Chemkin-Pro Getting Started Guide. The details of working with the Post-Processor
are described in Chemkin-Pro Visualization Manual.
Chapter 11: Getting Help and Support
There are several resources available to get further help when using ANSYS Energico. Starting points
for these resources are described here.
11.1. Tool-tips
A useful help feature in the ANSYS Energico Interface is “bubble” or “tool-tip” help, also known as
“mouse-over” help. In each of the project-tree input panels, resting your mouse cursor near an input-
parameter label will usually result in temporary display of context-sensitive help. This bubble help
provides more description about the parameter usage and about default behavior or default values.
11.2. User Manuals

User manuals are available for ANSYS Energico as HTML pages that can be viewed with a web browser.
These manuals include:
• Energico User's Guide (p. 1)
• Energico Tutorials, available from the ANSYS customer site.
• Chemkin-Pro Getting Started Guide
• Chemkin-Pro Visualization Manual
• Chemkin-Pro Input Manual
• Chemkin-Pro Application Programming Interface Manual
• Chemkin-Pro LPCVD Thermal Analyzer and Furnace Manual
• Chemkin-Pro Advanced Analysis Guide
• Chemkin-Pro Theory Manual
• Chemkin-Pro Reaction Workbench User's Manual
• See below (p. 111) for tutorials.
Access the user manuals from the Help menu on the ANSYS Energico Interface.
ANSYS Energico tutorials are available in the Chemkin-Pro Tutorials and the Energico Tutorials. To access
a product's tutorials and input files, visit the ANSYS Help site.
Getting Help and Support
11.3. Installation, Licensing, and Configuration Help

For details about licensing, installation, and configuration, see the ANSYS, Inc. Installation and Licensing
Set on the ANSYS Help site.
11.4. Technical Support

When you contact Technical Support, be sure to include the following information in your support re-
quest:
• Your ANSYS Chemkin-Pro License Number.
• The name and email address of the Licensee, if different from yourself.
• Your computer platform.
• An archive of the project you are running (See Archiving and Unarchiving Projects for how to create an
archive).
• Any pertinent error or informational messages you have received from the ANSYS Chemkin-Pro software.
Use the ANSYS Help site to find information about your products. At this site, you can:
• Find product documentation
• Download tutorials
• View training videos
• Find other helpful links
Call 1-800-711-7199 for ANSYS Support. You must enter the Customer Number from the email that
contained your license file.
Email [email protected] for technical support.
For licensing assistance, Email [email protected].
Note:
Phone support is not available to students. See http://www.ansys.com/Products/Academic/

Support-Policy. Use this link instead: http://www.ansys.com/Products/Academic/ANSYS-Student
Appendix A. Importing a CGNS File from CFD Software
A.1. General Requirements

To create a CGNS file for import by ANSYS Energico from within FLUENT®, CFX™, and any commercial
CFD software other than STAR-CD, choose a “Cell-Centered” location for solution export if this option
exists. For STAR-CD, see the following sections.
See Appendix C: CGNS Utility (p. 125) for information about the CGNS Utility for converting vertex-based
solution data to cell-centered data.
All CGNS files must conform to the specifications described in Section Compatibility with Commercial
CFD Software (p. 59).
A.1.1. Performance Options For Loading Large Meshes

ANSYS Energico by default checks the volume regions written to the CGNS file for the presence of
isolated mesh volumes, and then 'glues' together meshes that share boundaries automatically. However,
for large meshes this process can take several minutes, even if only one volume is present in the
mesh. If you are sure that your mesh consists of a single continuous volume mesh, then this volume
checking can be omitted by one of two methods:
• Preferences: On the Model tab, deselect Check for Isolated Mesh Volumes.
• On the ANSYS Energico command line, pass the argument: -DNoVolumeCheck
A.1.2. CGNS File Import: FLUENT Example
Note:
When importing CGNS files from Fluent into Energico on Windows systems, the import
will typically fail when the size of the CGNS file is ≥2 GB. There are no known issues if the
file is less than 2 GB. There are also no issues on the Linux platform. A workaround for this
problem is to import the Fluent case file instead of the CGNS file.
To export a CGNS file from the Fluent interface, select File > Export > Solution Data from the Fluent
File menu.
Choose CGNS as the file type to export and select the Cell Center option. Select the required fields
and select the write option.
Note that the selected fields must include the following:
• Mass fractions
Importing a CGNS File from CFD Software
• Static Temperature
• Density
• X Velocity
• Y Velocity
• Z Velocity
• Turbulent Kinetic Energy (k)
• Turbulent Dissipation (epsilon)
Files for processing in ANSYS Energico must not include:
• UDF (user-defined function)
Figure 1: Fluent Export Dialog
A.2. Boundary File Generation for STAR-CD

Like other CFD software, STAR-CD provides an export utility for the CGNS format. However, currently
no region or interface information is written to the file. Therefore, in order to import a CGNS file generated
from STAR-CD, an additional file must be generated containing the missing information. This file can
be generated from the STAR-CD command prompt with the following command:
BWRITE, Example.bnd, CODED
An example of the output is given in Figure 2: Example output from STAR-CD BWRITE - completing region
and interface data (p. 115).
Boundary File Usage
Figure 2: Example output from STAR-CD BWRITE - completing region and interface data
A.3. Boundary File Usage

ANSYS Energico detects when a CGNS file requires boundary information, and provides an additional
file browser within the Select Files workflow item in the Model Setup tab. Select the generated
boundary file as shown above to complete the importing process.
Appendix B. Adding Inputs to an Algorithm File
Algorithm files are applied by clicking the Apply Algorithm workflow item to launch a dialog that
presents the current list of algorithm files (“.ckzone” files) found in either the installation data directory
or your home directory (Figure 1: List of algorithms in Select an ERN Algorithm dialog (p. 117)). If the
algorithm file contains an input section, the algorithm inputs will appear once the algorithm is selected
from the list, as shown in Figure 2: Algorithm inputs in Select an ERN Algorithm dialog (p. 117):
Figure 1: List of algorithms in Select an ERN Algorithm dialog
Figure 2: Algorithm inputs in Select an ERN Algorithm dialog
Adding Inputs to an Algorithm File
B.1. Adding Inputs to an Algorithm File

Adding inputs to an algorithm file may be desirable in order to make the algorithm more adaptable to
different scenarios. For example, if an existing algorithm uses the species field “ch4” for a filtering step,
it may make sense to allow a user of the algorithm to specify a different species field, for example,
“c3h8”. This can be accomplished by adding a species input to the algorithm file. The format of the al-
gorithm file is XML, and as such follows the rules and grammar of XML files. (For more information
about the XML format, please visit .) To illustrate the process, consider the following sample algorithm
file, which creates a zone filter based on the species “ch4”.
To add inputs to the algorithm file, edit the algorithm file in a text editor as follows:
1. Add an <inputs> element after the <ern> element and before the <zones> element:
2. Add an <input> element inside of the <inputs> element with the following attributes:
The attributes describe the type of input required, in this case type = “Species” indicates that the drop-down
3. Replace the text “ch4” in the <operation> element with the name of the input “FUEL_FIELD”:
4. Save the file into either the ANSYS Energico user directory or the Energico data directory. For example, on
a Windows machine the data directory will typically be “C:\Program Files\Reaction\ANSYS Energico<ver-
sion>_win64\data” and the user directory will typically be “C:\Documents and Settings\username\ANSYS
Chemkin-Pro”.
5. Test the algorithm by opening an ANSYS Energico project and selecting the “Apply Algorithm” item from
the ERN Analysis tab. If the algorithm file was named “Test Algorithm.ckzone”, the following will be displayed
when the algorithm is selected:
Figure 3: Selecting the modified algorithm
B.1.1. Allowable Input Types in Algorithm Files

The following input types are allowed inside of the <inputs> element of an algorithm file:
Species
The input’s drop-down list will contain the current list of species in the project. For example:
<input type="Species" name="FUEL_FIELD" description="Fuel Field" default="ch4"/>
Variable
The input’s drop-down selector will contain the current list of CFD variables in the project. For example:
<input type="Variable" name="FILTER_FIELD_A" description="Filtering field" default="TEMPERATURE"/>
String
The input’s drop-down selector will contain the choices specified in as shown in the example. For example:
<input type="String" name="FLOW_DIRECTION" description="Dominant Flow Direction" default="X">
<choice value = "X"/>
<choice value = "Y"/>
<choice value = "Z"/>
</input>
Boolean
The input’s drop-down selector will contain “true” and “false” choices. For example:
<input type="Boolean" name="SOLVE_ENERGY" description="Solve for Temperature" default="true"/>
B.1.2. Example of Adding Inputs to an Algorithm File

The following example illustrates all input types (modifications to the original are circled):
B.1.2.1. Original XML
B.1.2.2. Modified XML
B.1.2.3. Resulting Algorithm Dialog

Figure 4: Select an ERN Algorithm with added inputs
Appendix C. CGNS Utility
ANSYS Energico requires that CGNS files contain cell-centered solution data. A command-line utility is
provided to convert vertex-based solution data to cell-centered data using a simple averaging technique
in which the cell-centered value is computed as the average of the nodal values comprising the cell.
The command line utility is can also be used to remove unwanted solution variables from a CGNS file.
C.1. Using the Utility
C.1.1. Windows
To use the utility on Windows systems, the ANSYS Energico bin directory must be included in the
user's PATH environment variable. For example, this environment variable could be set as follows in
a DOS window for a typical Windows installation:
SET PATH=%PATH%;C:\Program Files\ANSYS Inc\V201\reaction\chemkinpro.win64\
To run the utility, type the following command:
cgns_util.exe cc InputFileName.cgns OutputFileName.cgns
where InputFileName.cgns is the name of a CGNS file containing vertex-based solution data
and OutputFileName.cgns is the name of the new CGNS file to be created containing cell-centered
data.
To run the variable removal utility, type the following command:
cgns_util.exe vars InputFileName.cgns KeepVariableNames.txt
where InputFileName.cgns is the name of the CGNS file that will be modified, and KeepVari
ableNames.txt contains a list of solution variable names that should not be removed in this oper-
ation.
C.1.2. Linux
To use the utility on Linux systems, the ANSYS Energico bin directory must be included in the user's
PATH variable. This environment variable could be set as follows in a terminal window for a typical
Linux installation:
export PATH=$PATH:~$HOME/201/reaction/chmkinpro.linuxx8664/bin/
To run the utility, type the following command:
cgns_util cc InputFileName.cgns OutputFileName.cgns
CGNS Utility
where InputFileName.cgns is the name of a CGNS file containing vertex-based solution data
and OutputFileName.cgns is the name of the new CGNS file to be created containing cell-centered
data.
To run the variable removal utility, type the following command:
cgns_util vars InputFileName.cgns KeepVariableNames.txt
where InputFileName.cgns is the name of the cgns file that will be modified, and KeepVari
ableNames.txt contains a list of solution variable names that should not be removed in this oper-
ation.
Appendix D. File Extensions Used by ANSYS Energico
Table 1: File extensions and descriptions of the files
File extension Description

.ckcdat Transfer ERN (Equivalent Reaction Network) solution data from ERN
back to ANSYS Energico for display.
.ckcgns ANSYS Energico project file containing original .cgns data plus
additional data for restoring your Energico inputs (zones, cgns setup,
…)
.ckc Transfer parameter study data from ERN back to ANSYS Energico for
display.
.ckcsv ANSYS Chemkin-Pro solution data in CSV format, extracted from
solution file(s) (XMLdata.zip) in a form readable by the Graphical
Post-Processor.
.ckern Contain reactor and stream properties, generated by ANSYS Energico
to create ERN in ANSYS Chemkin-Pro.
.ckgzip Archive of ANSYS Energico project including .cgns, boundary file,
chemistry mechanism files.
.cklmnt Contain element and species information of the mechanism, generated
by pre-processor and used by Reaction Path Analyzer.
.ckmrt Chemkin-Pro Reaction Workbench mechanism reduction project file.
.ckplot Graphical Post-Processor plot definition data used with the
Save/Restore Plots function.
.ckprf Profile value pairs and independent/dependent variable definitions.
A Profile can be used in multiple Projects.
.ckprj Information that defines the ANSYS Chemkin-Pro project, including
working directory, diagram connectivity and reactor-model parameters,
as well as pointers to the chemistry set and any profile files employed.
.cks Definition of the chemistry set, which consists of file paths to chemistry
mechanism input files needed during Preprocessing. A Chemistry Set
can be used in multiple Projects.
.ckses ANSYS Energico session file containing the commands executed during
an Energico session, but not including the .cgns data. This is a small
file that can be used with a .cgns file (and boundary file and ANSYS
Chemkin-Pro mechanism) to replay an Energico session.
.cktab Graphical Post-processor reaction translation file (for example, from
Rxn#1 to CH3 + H = CH4) ™ generated by mechanism Pre-processor
but not in use.
.ckview ANSYS Energico View template used to define a set of plots or table
view created with ERN results.
File Extensions Used by ANSYS Energico
File extension Description

.ckzip Compressed collection of files related to a ANSYS Chemkin-Pro project
and archived in one file. This is valuable when you want to exchange
projects.
.ckzone ANSYS Energico algorithm/template file to create the zones that can
be converted to an ERN.
Bibliography
[1] Noble, D. R., Q. Zhang, et al. (2006). “Syngas Mixture Composition Effects upon Flashback and Blowout.”
Proceedings of ASME Turbo Expo 2006 ASME Paper No. GT2006-90470..
[2] Lieuwen, T., V. McDonell, et al. (2008). “Fuel Flexibility Influences on Premixed Combustor Blowout,
Flashback, Autoignition, and Stability.” Journal of Engineering for Gas Turbines and Power 130 (1):
011506..

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© 2020 ANSYS, Inc. Unauthorized use, distribution or duplication is prohibited.

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Published in the U.S.A.

4.5.4. Identifying Key Variables and Units ......................................................................................... 36

7.5.4. Viewing ERN Parameter-study Results in ANSYS Chemkin ........................................................ 78

11.2. User Manuals .............................................................................................................................. 111

7.14. Creating a table by selecting zones and variables ................................................................................. 74

The key features of the ANSYS Energico Simulation Package include:

• Rapid and accurate predictions of emissions from modern combustion systems.

• A revolutionary method to evaluate Lean Blow-off in combustion systems.

1.1. Accurate Prediction of Combustion Emissions

1.2. Lean Blow-off Analysis

1.3. Overview of Using the ANSYS Energico Simulation Package

• Read in the results of a CFD solution from a CGNS file.

The rest of this manual is organized into the following chapters:

• Software and License Installation (p. 5)

Discusses installation and licensing.

• Introduction to the ANSYS Energico Interface (p. 7)

• Overview of Workflow (p. 19)

Provides an overview of the ANSYS Energico workflow.

• Setting Up Your Chemistry Set (p. 55)

Describes chemistry set requirements, details, and verification.

• Reading a Solution File (p. 59)

• Equivalent Reactor Network Analysis (p. 61)

• Lean Blow-off Analysis (p. 79)

• Viewing Results (p. 91)

• Getting Help and Support (p. 111)

Describes the various types of assistance available to ANSYS Energico users.

• Appendix A: Importing a CGNS File from CFD Software (p. 113)

• Appendix B: Adding Inputs to an Algorithm File (p. 117)

Explains adding inputs to an existing algorithm file.

• Appendix C: CGNS Utility (p. 125)

• Appendix D: File Extensions Used by ANSYS Energico (p. 127)

2.1. Software and License Installation

Figure 3.1: ANSYS Energico Interface components

3.1. Workflow Panel

3.1.1. Model Setup

3.1.2. ERN Analysis

• Merge Zones: Join two or more zones together.

3.1.3. LBO Analysis

3.2. Model Display Panel

Edit > Preferences > Display tab

Figure 3.8: Display Preferences set for maximum performance.

3.2.1. Context Menus for Objects in the 3-D View Panel

Visible Toggle the visibility of the object

Transparency Allows setting the transparency of the object to Opaque, Low,

Zone objects additionally contain the following settings:

3.3. Log Panel

3.4. 3-D View Panel

3.4.1. Toolbar and Menu

3.4.2. Using the Mouse with the 3-D View Panel

Figure 3.9: Zoom and Translate toolbar buttons

3.4.3. Zoom mode

• In a left to right direction to increase zoom.

• In a right to left direction to decrease zoom.

3.4.4. Translate mode

3.4.5. Redrawing the 3-D view panel

ch4 = 0.95fuelsc3h8 = 0.05fuels