Lecture 38

Methods of Improving Constitutive Equations
Maxwell Model
We can improve with new time derivatives or new strain measures.
W O
wW wt
K0 J
t t ) K ( t O 0 e J (t , t )dt 2 f O
W (t )
We can also change the basic equation: linear modifications non-linear modifications
Faith A. Morrison, Michigan Tech U.
Other Constitutive Approaches

Simple Maxwell Model, shear Upper-Convected Maxwell Model, general
W 21 O
wW 21 wt
K0J 21
W OW
K0J
retardation time
Simple Jeffreys Model, shear Upper-Convected Jeffreys Model, general (Oldroyd B Fluid)
W 21 O1
wW 21 wt
wJ K0 J 21 O2 21 wt
W O1W
K 0 J O 2 J
Maxwell Model - Mechanical Analog

W 21 O wW 21 wt K0J 21
Jeffreys Model - Mechanical Analog

W 21 O1 wW 21 wt wJ K0 J 21 O2 21 wt
Unfortunately, this change only modifies G(t-t); the Jeffreys Model is a GLVE model Simple Jeffreys Model
(not frame-invariant)
W O1
wW wt
wJ K0 J O2 w t
Now, solving for W21 explicitly we obtain,
W (t )
t c K0 O2 tO 2K 0 O2 1 c 1 e G ( t t ) J (t c) dt c O1 O1 O1 f
t
G (t t c)
Other linear modifications of the Maxwell model motivated by springs and dashpots in series and parallel modify G(t-t) but do not otherwise introduce new behavior.
(Might as well use the Generalized Maxwell model)

Non-linear modifications of the Maxwell Model

White-Metzner Model Oldroyd 8-Constant Model
W
K (J ) W G0
K (J )J
W O1W
1 O1 P1 J W W J 1 P 0 trW J 1 Q1 W : J I 2 2 2 1 K0 J O2 J O2 P 2 J : J Q 2 J : J I 2
The Oldroyd 8-constant contains many other constitutive equations as special cases.
UCM UCM
terms
UCJ
The Oldroyd 8-Constant model contains all terms linear in stress tensor and at most quadratic in rate-of-deformation tensor that are also consistent with frame invariance.
W O1W 1 O1 P1 J W W J 1 P 0 trW J 1 Q1 W : J I 2 2 2 1 K0 J O2 J O2 P 2 J : J Q 2 J : J I 2
Giesekus Model
W OW
DO W :W K0
quadratic in stress
K0 J
The only way to choose among these nonlinear models is to compare predictions.
We can also modify integral models to add non-linearity and thus produce new constitutive equations.
Factorized Rivlin-Sawyers Model
W (t )
M (t t c) ) 2 ( I1 , I 2 )C )1 ( I1 , I 2 )C
f
1
dtc
Factorized K-BKZ Model
W (t )
I1, I2 are the invariants of the Finger or Cauchy strain tensors (these are related).
t wU wU 1 M (t t c) dt c 2 wI C 2 wI C 2 1 f
Again, the only way to choose among these nonlinear models is to compare predictions
(see R. G. Larson, Constitutive Equations for Polymer Melts). Faith A. Morrison, Michigan Tech U.
Choosing Constitutive Equations

We have fixed all the obvious flaws in our constitutive equations, and now we have too many choices! We could make predictions and compare with experimental data, but some of the models (Rivlin Sawyer, K-BKZ) have undefined functions that must be specified.
How to proceed?
We need some guidance.
All along we have taken a continuum-mechanics approach. We have run that course all the way through. Now we must go back and seek some insight from molecular ideas of relaxation and polymer dynamics.
Molecular Approach to Polymer Constitutive Modeling

molecular tension force on arbitrary surface
~ f
W dA n
stress tensor
We now attempt to calculate molecular forces by considering molecular models.
Polymer Dynamics
end-to-end vector, R
polymers may be modeled as random walks.

Polymer coil responds to deformation

A polymer chain adopts the most random configuration at equilibrium.
end-to-end vector, R
When deformed, the chain tries to recover that most random configuration, giving rise to a spring-like restoring force.
spring of equilibrium length and orientation R
We will model the chain dynamics with a random walk.

Gaussian Springs
Equilibrium configuration distribution function - probability a walk has end-to-end distance R
E E 2 RcRc \ 0 ( R) e S
From an entropy calculation on a random walk we can calculate the force needed to deform a Gaussian spring If we can relate this force to the arbitrary force on a surface, we can connect these two
3kT R Na 2
molecular tension force on arbitrary surface
~ f = dA n
stress tensor
Molecular force generated by deforming chain
~ f
Tension force on dA
Force on surface dA due to chains of ETE R
dR1dR2 dR3
Probability chain of ETE R crosses surface dA
Probability chain has ETE R
Force exerted by chain w/ ETE R
R Q 3 n
(see text)
dA Q
2 3
\ ( R )dR1dR2 dR3
3kT R Na 2
dA
a
1
n
c
Q1 3
intersection with dA
a
1
b
R n
n
d
1
13
Q1 3
R Q n Q 1
1 3
c
volume Q 1
~ f
3kTQ Na 2
1 3
RR
R R { R R \ ( R )dR1dR2 dR3
BUT, from before . . .
~ f
Comparing these two we conclude,
W dA n
molecular tension force on arbitrary surface in terms of
W

2 3
3kTQ RR Na 2
(dA Q

How can we convert this equation,
3kTQ RR Na 2
which relates molecular ETE vector and stress, into a constitutive equation, which relates stress and deformation? We need a idea that connects ETE vector motion to macroscopic deformation of a polymer network or melt.
Elastic (Crosslinked) Solid

Between every two crosslinks there is a polymer strand that follows a random walk of N steps of length a.
R2
Distribution of ETE vectors
ETE = end-to-end vector
R1
How can we relate changes in end-to-end vector to macroscopic deformation?

ANSWER:
affine-motion assumption: the macroscopic dimension changes are proportional to the microscopic dimension changes after
before
Consider a general elongational deformation:

O1 0 0 O2 0 0 0 0 O3 123
1
For affine motion we can relate the components of the initial and final ETE vectors as, ETE after
O1
R1 R1c
O2
R2 c R2
O3
R3 c R3
ETE before
O1 R1c c R (t ) O2 R2 O Rc 3 3 123
We are attempting to calculate the stress tensor with this equation:
3kTQ RR Na 2
O1 R1c c R (t ) O2 R2 O Rc 3 3 123
But, where do we get this?
Probability chain has ETE between R and R+dR:
\ ( R )dR1dR2 dR3
Configuration distribution function Equilibrium configuration distribution function:
E E 2 RcRc \ 0 ( R) e S
But, if the deformation is affine, then the number of ETE vectors between R and R+dR at time t is equal to the number of vectors with ETE between R and R+dR at t
E E 2 RcRc Conclusion: \ ( R ) \ 0 ( R ) e S c
10
Now we are ready to calculate the stress tensor.
3kTQ RR Na 2
Ric Ri Oi
O1 R1c c R (t ) O2 R2 O Rc 3 3 123
c
3
E E 2 RcRc \ ( R) \ 0 ( R ) e S
Final solution: W
i e i Q kTOi2 e
Final solution for stress:
i e i Q kTOi2 e
Compare this solution with the Finger Strain Tensor for this flow. 2 O1 0 0 1 1 T 1 C (t c, t ) F F 0 0 O2 2 0 0 O2 3
123
Since the Finger tensor for any deformation may be written in diagonal form (symmetric tensor) our derivation is valid for all deformations.
Q kT C
1
Which is the same as the finite-strain Hookes law discussed earlier, with G=QkT.
11

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Methods of Improving Constitutive Equations

Other Constitutive Approaches

Faith A. Morrison, Michigan Tech U.

Maxwell Model - Mechanical Analog

Jeffreys Model - Mechanical Analog

Faith A. Morrison, Michigan Tech U.

Now, solving for W21 explicitly we obtain,

(Might as well use the Generalized Maxwell model)

Non-linear modifications of the Maxwell Model

Faith A. Morrison, Michigan Tech U.

Factorized K-BKZ Model

Choosing Constitutive Equations

We need some guidance.

Faith A. Morrison, Michigan Tech U.

Molecular Approach to Polymer Constitutive Modeling

We now attempt to calculate molecular forces by considering molecular models.

polymers may be modeled as random walks.

Polymer coil responds to deformation

spring of equilibrium length and orientation R

We will model the chain dynamics with a random walk.

molecular tension force on arbitrary surface

Faith A. Morrison, Michigan Tech U.

Molecular force generated by deforming chain

Force on surface dA due to chains of ETE R

Probability chain of ETE R crosses surface dA

Probability chain has ETE R

Force exerted by chain w/ ETE R

Faith A. Morrison, Michigan Tech U.

Probability chain of ETE R crosses surface dA

Probability chain of ETE R crosses surface dA

Molecular force generated by deforming chain

molecular tension force on arbitrary surface in terms of

Molecular force generated by deforming chain

How can we convert this equation,

Molecular force generated by deforming chain

Faith A. Morrison, Michigan Tech U.

Elastic (Crosslinked) Solid

ETE = end-to-end vector

How can we relate changes in end-to-end vector to macroscopic deformation?

Faith A. Morrison, Michigan Tech U.

Consider a general elongational deformation:

We are attempting to calculate the stress tensor with this equation:

But, where do we get this?

Faith A. Morrison, Michigan Tech U.

Probability chain has ETE between R and R+dR:

Configuration distribution function Equilibrium configuration distribution function:

Now we are ready to calculate the stress tensor.

Final solution for stress:

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