Modeling Ionic Polymer Metal Composites With COMSOL: Step-by-Step Guide

Published on 19 November 2015 on https://pubs.rsc.org | doi:10.
1039/9781782622581-00185
CHAPTER 5
Modeling Ionic Polymer Metal

Composites with COMSOL:
Step-by-Step Guide
Downloaded on 5/11/2020 6:47:28 PM.
DAVID PUGAL,a,b TYLER STALBAUM,a VILJAR PALMREa AND

KWANG J. KIM*a
a
Department of Mechanical Engineering, University of Nevada, Las Vegas,
Nevada 89154, USA; b Mechanical Engineering Department, University of
Nevada, Reno, Nevada 89557, USA
*Email: kwangkim@unr.edu
5.1 Ionic Polymer Metal Composite Physics-based

Transduction Models
Here, the fundamental theory of ionic polymer metal composite (IPMC)
electromechanical and mechanoelectrical transduction or energy conversion
is presented.1 Electrical energy is converted into mechanical energy in the
former case and mechanical energy into electrical energy in the latter case.
A brief overview of the common set of fundamental equations for both
phenomena is introduced.
IPMC material consists of an ionic polymer with covalently attached an-
ionic groups that are balanced with mobile cations in water solution (or in
other solvent). The conceptual model is shown in Figure 5.1. When a voltage
is applied to the electrodes of an IPMC, cation flux—or the ionic current—is
induced by the imposed electric field. In cases of water-based IPMCs,
RSC Smart Materials No. 17

Ionic Polymer Metal Composites (IPMCs): Smart Multi-Functional Materials and
Artificial Muscles, Volume 1
Edited by Mohsen Shahinpoor
r The Royal Society of Chemistry 2016
Published by the Royal Society of Chemistry, www.rsc.org
185
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186 Chapter 5
Published on 19 November 2015 on https://pubs.rsc.org | doi:10.1039/9781782622581-00185
Figure 5.1 Conceptual model of an IPMC.

Reprinted with permission from Elsevier.2
migrating cations drag the water molecules along, causing osmotic pressure
changes and therefore swelling of the polymer near the cathode and con-
traction near the anode. This in turn results in bending of the material
towards the anode.
The mechanoelectrical phenomenon is understood to be the reverse of the
electromechanical—a voltage is induced across the polymer between the
electrodes in response to an applied deformation.3–5
It is important to realize that the underlying cause of both of the phe-
nomena is induced ionic current and resulting non-zero spatial charge in the
vicinity of the electrodes. The ionic current in the polymer is calculated with
the Nernst–Planck equation:1
@C
þ r ðDrC zmFCrf mCDV rPÞ ¼ 0: (5:1)
@t
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Modeling Ionic Polymer Metal Composites with COMSOL: Step-by-Step Guide 187
where C is the cation concentration, m is the mobility of cations, D is the

diffusion constant, F is the Faraday constant, z is the charge number, DV is
the molar volume that quantifies the cation hydrophilicity, P is the solvent
pressure, and f is the electric potential in the polymer. Mobility can be
explicitly expressed as:

D
m¼ (5:2)
RT
where R is the gas constant and T is the absolute temperature.
Eqn (5.1) is the main governing equation for describing the transduction
phenomena of the IPMC materials. Besides the time derivative term, the
equation consists of three flux terms governed by different field gradients,
namely electric potential gradient rf, concentration gradient rC, and
solvent pressure gradient rP. These field gradients exist for both trans-
duction types, albeit with significantly different magnitudes. Conceptual
models of IPMC electromechanical and mechanoelectrical transduction with

the field gradients are shown in Figure 5.2 (left) and (right), respectively. The
potential gradient rf has the opposite direction in cases of mechan-
oelectrical transduction, because the ionic current is not governed by an
applied voltage but by the bending-induced pressure gradient rP. While the
concentration gradient flux term rC is rather straightforward, the other
terms can be expanded further.
The potential f is described with Poisson’s equation:
r
r2 f ¼ (5:3)
e
Figure 5.2 Electromechanical model (left) and mechanoelectrical model (right).

Schematic of the migration of hydrated cations within the polymer
network.6
r IOP Publishing. Reproduced by permission of IOP Publishing. All
rights reserved.
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188 Chapter 5
where r is the charge density and is defined as:

r ¼ F (C Ca) (5.4)
with Ca being the anion concentration. The variable e is the effective di-
electric permittivity that can be explicitly written as e ¼ e0er, where e0 is the

dielectric permittivity in vacuum and equals 8.85 1012 F m1.
While the cation concentration C is governed by Nernst–Planck eqn (5.1),
the anion concentration is related to the local volumetric strain as:
dV ¼ r u (5.5)
Here, u is the local displacement vector. A positive value of the volumetric
strain means an increase in the local volume and negative means a decrease
in the volume. The volume changes in the polymer matrix affect the local
anion concentration, as anions are part of the polymer backbone. Hence, the
anion concentration is expressed:1
Ca ¼ C0(1 dV) (5.6)

where C0 is the initial cation or anion concentration. It must be noted that
for most practical calculations it is reasonable to approximate Ca ¼ C0. Only
in cases of mechanoelectrical transduction, where the flux terms are small,
should the relation in eqn (5.6) be used.
The solvent pressure is caused by local strain in the polymer matrix, for-
cing the solvent from the concave side to the convex side of IPMC. Effective
cation transport due to this term is governed by the pressure gradient rP
and molar volume constant DV in the ionic flux term in eqn (5.1). Pressure P
is the solvent pressure caused by the strain in the polymer. According to the
momentum conservation, the solvent pressure and the pressure of the
polymer p are related as follows:7
r(P þ p) ¼ 0 ) rP ¼ rp (5.7)
1
It has been shown that:
E ð1 n Þ
pðdV Þ ¼ dV (5:8)
ð1 þ nÞð1 2nÞ
where E is the Young’s modulus of the material and n is the Poisson’s ratio.
By knowing those constants, Navier’s equation can be constructed for
displacements:
r r ¼ F. (5.9)
with F being the force per unit volume. Newton’s Second Law is used to
describe time-dependent deformation:
@2u
rp r cru ¼ F; (5:10)
@t2
where rp is the density of the material and the second term is the static
Navier’s equation, where c is the Navier constant. The first term in eqn (5.10)
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introduces the dynamic part. In cases of electromechanical transduction, the

body force F is defined as a function of charge density r:
F ¼ f (r). (5.11)
Existing research suggests that the effect of the electrodes in the calcula-
tions is important for improved accuracy.8–11
In order to incorporate the electrodes in the model, the ionic current in
the polymer is coupled to the electric current in the electrodes. Unlike many
physics-based models, the electrodes are not considered to be ideal but
electrically conductive with a finite conductance. Although the electrode
effect can be more intuitive in cases of electromechanical transduction
(current resistive), the underlying physics is the same for both
transduction types.
Figure 5.3 (left) and (right) illustrates the electrodes in the model. Eqn
(5.1) describes the ionic current in the polymer part of an IPMC. For the
electrodes, the differential form of Ohm’s law for the current density is:
srV ¼ j (5.12)
where s is the electric conductivity of the electrodes and V and j are the
electric potential and current density in the electrodes, respectively. Note
that the electric potential f inside the polymer and the electric potential V in
the electrodes are two different variables.
Figure 5.3 IPMC transduction model with electrodes. IPMC conceptual electro-
mechanical (left) and mechanoelectrical (right) transduction models
with potential gradients. The direction of the potential gradient in
cases of mechanoelectrical transduction is not always obvious and
comes out from modeling results.1
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190 Chapter 5
To couple the ionic current—described with the Nernst–Planck equation

in eqn (5.1)—to the electric current in the electrodes, the ionic current
density at the electrode boundaries has to be known.
The ionic current at the electrode boundaries is calculated by directly
applying Gauss’s law.1 Let us consider an IPMC consisting of electrode do-

mains Ca, Cb and a polymer domain O as shown in Figure 5.4.
A contour @G can be drawn in a way that includes the entire domain O, the
boundary between O and Ca and a small section of Cb. Within the contour
@G, Gauss’s law’s integral form can be written as:
ð ð ð
rf ndl ¼ r ðrfÞdS þ r ðrfÞdS (5:13)
@G S Sb
Ð vector on @G. Considering that in O the net charge

where n is a unit normal
density is zero (i.e. S rdS ¼ 0), and by applying Poisson’s eqn (5.3), the
expression can be simplified as follows:

ð ð
1
rf ndl ¼ r dS (5:14)
@G E Sb b
There is no charge density inside the electrode except on the very surface.
This is denoted with rb. As the x-directional potential gradient is very small
and the line integral (left-hand side [LHS] in eqn (5.14)) values on the seg-
ments @G1 and @G3 are negligible and with opposite values, the equation can
be simplified even further as:
ð ð ð
@f @f 1
dl þ dl ¼ r dS (5:15)
@G2 @y @G4 @y E Sb b
As the y-directional potential gradient in the electrode is expected to be

negligible, the second term on the LHS in eqn (5.15) vanishes. The integral
Figure 5.4 Using Gauss’s law within a full contour C to derive the electric current
value.1
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on the right-hand side equals to the accumulated charge per length and is
denoted by q 0 :
ð
0 @f
q ¼ E dl (5:16)
@G2 @y
Let us denote the z-directional width of the IPMC in Figure 5.4 by d, thus
the total current is:
ð
@q 0 @2f
I ¼d ¼ dE dl (5:17)
@t @G2 @y@t
To derive the current density j, a large number of contours G1. . .Gn are
considered, where n-N (see Figure 5.5). Let us denote the length of the
contour segments with dGi, dGai, and dGbi for the vertical, top, and bottom
segments, respectively. Considering that the line integrals on the inner
boundaries cancel each other out, the LHS contains terms:
ð ð ð ð
@f @f @f @f
dl dl þ þ dl dl (5:18)
@G2 @x @G2 @x @Gn @x @Gn @x
that cancel out. As previously stated, under the assumption that the voltage
gradients on the segments G1 and Gn11 are negligible and there is no
y-directional potential gradient on the bottom segments @Gbi, the current for
a single contour Gai can be expressed as:
@2f
i ¼ dE dGai (5:19)
@y@t
Thus, the local ionic current density in the y-direction on an electrode
boundary is:
i @2f
jI ¼ ¼ dE (5:20)
dGai @y@t
Figure 5.5 Gauss’s law applied within the sub-contours to derive the local electric
current density.1
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192 Chapter 5
This current density can be easily generalized for any electrode shape.
Instead of considering the top contour segments Gai to be parallel to the x-
axis, the segments can be described by the outward normal unit vector n.
Then, the normal ionic current density is:1
@f
jI ¼ dEr n (5:21)
@t
5.2 Theory and Application for Practical Modeling

In the following section, a subset of the presented theory is applied to pre-
sent a step-by-step guide of how to model basic electromechanical actuation
of IPMC materials with COMSOL Multiphysicss finite element software.
Note that in order to make it easy to follow, a few simplifications are made.
For instance, the electrode–polymer coupling is modeled unidirectionally
(i.e. applied voltage through the electrode). Also, it has been shown that in
case of electromechanical transduction, |F rf|c|DV rP|, thus the third flux

term mCDV rP in eqn (5.1) is not considered in the electromechanical
transduction model.1 For most cases, it is reasonable to assume that anion
concentration is constant throughout the polymer, i.e. Ca ¼ C0.1
Also, note that the notation of some constants is changed to avoid con-
flicting with COMSOL’s hardcoded variables and to be more self-explanatory.
In the given example model, the following COMSOL physics modules are
utilized: Structural Mechanics Module, AC/DC Module, Chemical Reaction
Engineering Module, and Mathematics Module.
5.3 Example Model: Electromechanical Actuation

The following IPMC electromechanical actuation example is based on
COMSOL Multiphysicss version 4.3b.
5.3.1 Model Wizard

In the Model Wizard, select 2D as the space dimension and click the blue
‘‘Next’’ arrow in the top right corner (see Figure 5.6).
Under Add Physics, expand the AC/DC module and double-click Electric
Currents (ec). Also expand the Chemical Species Transport and double-click
Transport of Diluted Species (chds). Then, expand the Mathematics module
and further expand the PDE Interfaces, double-click General Form PDE (g),
which will be used to implement Poisson’s equation. Below the Selected
physics area, the Physical properties can be adjusted (see Figure 5.7). For the
General Form PDE module, click on the Units tab and set the Dependent
variable quantity to be Electric potential (V). The Source term quantity
should remain as None. Change the Unit to V*m^-2 and click the blue
‘‘Next’’ arrow in the top right corner.
Under Select Study Type, expand Custom Studies followed by Preset
Studies for Some Physics. Select Time Dependent and click the checkered
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Figure 5.6 Model Wizard window.

Figure 5.7 Selected physics window.

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194 Chapter 5
flag button to finish with the Model Wizard for the Poisson–Nernst–Planck
and simple electrode model.
Right-click the topmost option in the Model Builder window, Unti-
tled.mph (root), and then click Add Model to open the Model Wizard for a
second model. In the given example, the IPMC electromechanical trans-

duction is modeled in two steps, first solving for charge density throughout
the polymer and second solving for the polymer deformation. Again, select
2D as the space dimension and click the blue ‘‘Next’’ arrow. Under Add
Physics, expand the Structural Mechanics module and double-click Solid
Mechanics (solid), then click the blue ‘‘Next’’ arrow.
Under Select Study Type, expand Custom Studies followed by Preset Studies
for Some Physics and select Time Dependent. In the Selected physics area,
deselect Electric Currents, Transport of Diluted Species, and General Form PDE
modules by clicking the green check-mark in the Solve for column for each
module, then click the checkered flag button to finish with the Model Wizard.
In the Model Builder, expand Study 1 and select Step 1: Time Dependent
to open the Time Dependent study settings window. In the study settings
area, change the Times to ‘‘range(0,0.1,8)’’. Then in the Model Builder, ex-
pand Study 2 and select Step 1: Time Dependent to open the Time
Dependent study settings window for Study 2. In the study settings area,
change the Times to ‘‘range(0,0.1,8)’’. Then, click on the Values of
Dependent Variables to expand this area. Click on the check-box for Values
of variables not solved for. Change Method to Solution, change Study to
Study 1, Time Dependent, and change Time to All.
5.3.2 Geometry
The geometry used in this model is of dimensions similar to those of a
fabricated IPMC sample.
In the Model Builder, expand Model 1 and right-click on Geometry 1.
Select Rectangle to add a rectangle to the geometry. In the new window titled
Rectangle, change the Width to ‘‘51.07 [mm]’’ and the Height to ‘‘0.57 [mm]’’
(see Figure 5.8). This will be the polymer membrane of the IPMC. Add an-
other rectangle with a Width of ‘‘51.07 [mm]’’ and a Height of ‘‘0.008 [mm]’’.
Change the y-position to ‘‘–0.008 [mm]’’. This will be the bottom electrode.
Add a third rectangle with a Width of ‘‘51.07 [mm]’’ and a Height of ‘‘0.008
[mm]’’. Change the y-position to ‘‘0.57 [mm]’’. This will be the top electrode.
Click Build All at the top of the Rectangle window. Add a fourth rectangle with
a Width of ‘‘10 [mm]’’ and a Height of ‘‘0.586 [mm]’’. Change the y-position to
‘‘ 0.008 [mm]’’. This will represent the clamped region of the IPMC.
Then right-click on Geometry 1 again and select Point to add a point to
the model. In the Point window, change the x-position to ‘‘10 [mm]’’ and the
y-position to ‘‘0.578 [mm]’’ (see Figure 5.9). Add a second point at an x-
position of ‘‘10 [mm]’’ and y-position of ‘‘–0.008 [mm]’’.
Then, left-click on Geometry 1 to open the Geometry window. Click the
Build All button in the top-left side of the window.
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Figure 5.8 Rectangle settings window.
Figure 5.9 Point settings window.
Return to the Model Builder window and expand Model 1, expand

Geometry 1, and expand Model 2. Right-click on Rectangle 1 (r1) and select
Copy. Then right-click on Geometry 2 and select Paste Rectangle. Similarly,
copy–paste rectangles 2, 3, and 4 and points 1 and 2 from Geometry 1 to
Geometry 2. Then, left-click Geometry 2 to open the Geometry 2 window and
select Build All. The second geometry should be identical to the first.
5.3.3 Global Definitions

Global definitions are parameters, variables, and other definitions that are
to be used throughout the entire COMSOL file, including both models.
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196 Chapter 5
Figure 5.10 Global parameters window.
Table 5.1 Global parameters.

Name Expression
width_IPMC 9.94 [mm]
D_cat 7e-11 [m^2/s]
R 8.31 [J/(mol*K)]
T 293 [K]
z_cat 1
conc_cat_mol 1200 [mol/m^3]
epsilon 2 [mF/m]
Faraday 96485.3415 [s*A/mol]
Young_IPMC 41 [MPa]
Poisson_IPMC 0.49
density_IPMC 2000 [kg/m^3]
Alpha 0.0001 [N/C]
Right-click Global Definitions in the Model Builder and select Parameters

to add a table for global parameters (see Figure 5.10). In the Model
Builder, expand Global Definitions and select Parameters to open the Par-
ameters window. Click the first table element in the Name column and
add the parameter ‘‘width_IPMC’’. In the corresponding Expression element,
input ‘‘9.94 [mm]’’. Then, input the parameters shown in Table 5.1 similarly.
Then, right-click Global Definitions in the Model Builder and select
Variables to add a table of global variables (see Figure 5.11). Input the Global
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Figure 5.11 Global variables window.
Table 5.2 Global variables.

Name Expression
my_cat D_cat/(R*T)
Vpos 0.5*sin((2*pi [rad/s])*t)
Vneg 0
Variables shown in Table 5.2 similarly to the method of inputting Global

Parameters.
5.3.4 Model Definitions

Next, expand Model 1 in the Model Builder. Right-click Definitions and click
Variables to add a set of variables, titled Variables 2, defined only for Model 1
(see Figure 5.12). Input the Model 1 variables shown in Table 5.3 similarly to
the methods of inputting Global Parameters and Variables.
Then, we will define an Identity Mapping to couple the spatial variables of
the two models see (Figure 5.13). Under Model 1 in the Model Builder, right-
click Definitions and highlight Model Couplings to select Identity Mapping.
In the Identity Mapping window, under the Source Selection area, change
the Selection to All domains.
Next, expand Model 2 in the Model Builder. Right-click Definitions
and click Variables to add a set of variables, titled Variables 3, defined
only for Model 2 (see Figure 5.14). Input the Model 2 variables shown in
Table 5.4 similarly to the methods of inputting Global Parameters and
Variables.
According to eqn (5.11), the body force is a function of charge density r. Here
a simple linear function with a coefficient a is used to calculate the body force.
5.3.5 Domain Physics and Boundary Conditions

In the Model Builder, expand Model 1 and select Transport of
Diluted Species (chds). In the new window for Transport of Diluted Species
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198 Chapter 5
Figure 5.12 Model 1 variables window.

Table 5.3 Model 1 variables.

Name Expression
rho Faraday*(c-conc_cat_mol)
resist 1/(1.1125 [ohm^-1])*(2 [cm])
Figure 5.13 Identity mapping.
settings, under Domain Selection, click on 1 and click the blue subtract
button to remove this domain from the transport physics (see Figure 5.15).
Repeat this process to remove domains 3, 4, and 6 from this physics.
Domains 2 and 5 represent the polymer membrane and will be the only
domains in the Domain Selection area for Transport of Diluted Species
physics.
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Figure 5.14 Model 2 variables.

Table 5.4 Model 2 variables.

Name Expression
F_z Alpha*mod1.idmap1(mod1.rho)
Figure 5.15 Transport physics window.

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200 Chapter 5
Then, under Transport Mechanisms, deselect Convection and select Mi-

gration in electric field. This provides the form of the Nernst–Planck equa-
tion that can be used with reasonable results for IPMC electromechanical
transduction simulations.
Next, under the Model Builder, expand Transport of Diluted Species (chds)
and select Diffusion and Migration to open the corresponding settings
window (see Figure 5.16). In the Model Inputs area, change the Electric
potential value to ‘‘u’’. In the Diffusion area, change the Diffusion Co-
efficient to User defined and change the value to ‘‘D_cat’’. In the Migration
in Electric Field area, change Mobility to User defined and change the value
to ‘‘my_cat’’. Change Charge number to ‘‘z_cat’’. These constants corres-
pond to D, m, and z in eqn (5.1), respectively. Electric potential ‘‘u’’ cor-
ersponds to f in eqn (5.3).
Figure 5.16 Diffusion and migration.

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The default boundary conditions for the Transport of Diluted Species

model are no flux boundaries:
D@C zmFC@f
¼0 (5:22)
@n @n
(based on the notation used in Section 5.1). These boundary conditions are
suitable as there is no ionic flux across the domain boundaries.
Now select Initial Values 1 under Transport of Diluted Species in the
Model Builder to open the Initial Values settings window (see Figure 5.17).
For Concentration, enter the initial value ‘‘conc_cat_mol’’. Variable ‘‘con-
c_cat_mol‘‘ represents C0 in eqn (5.6). This completes the adjustments to the
Transport of Diluted Species (chds) physics.
Under Model Builder, expand Model 1 and select General Form PDE (g) to
open the corresponding settings window (see Figure 5.18). Similar to the
Transport of Diluted Species physics, the General Form PDE physics should
only be applied in the polymer membrane, and thus domains 1, 3, 4, and 6
are to be removed from the Domain Selection area. To do this, select 1 and
click the blue subtract arrow. Repeat for domains 3, 4, and 6. Domains 2 and
5 should be the only remaining domains in the Domain Selection area for
this physics.
Next, expand General Form PDE (g) in the Model Builder and select
General Form PDE 1 to open the corresponding settings window (see
Figure 5.17 Transport physics initial values.

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202 Chapter 5
Figure 5.18 General form PDE window.
Figure 5.19 General form PDE settings window.
Figure 5.19). In the Source Term area, change the value of f to ‘‘Faraday*(c-
conc_cat_mol)/epsilon’’. Change the value of da in the Damping of Mass
Coefficient area to ‘‘0’’. This presents implementation of eqn (5.3) and (5.4)
with ‘‘c‘‘ being the cation concentration C and ‘‘conc_cat_mol’’ is the con-
stant anion concentration Ca ¼ C0. The constant ‘‘Faraday’’ is F and ‘‘epsi-
lon’’ is e in eqn (5.3), respectively.
Right-click on General Form PDE (g) in the Model Builder and select
Dirichlet Boundary Condition 1 to add a Dirichlet Boundary to the General
Form PDE physics. In the Boundary Selection area of the settings window,
boundaries 4, 6, 11, and 13 should be added (see Figure 5.20). These are the
polymer–electrode interfaces. To do this, use the Zoom Box tool to zoom into
the location of the two points of the created geometry. Ctrl-left-click the four
polymer–electrode interfaces, which should change to the color red. These
steps are highlighted in Figure 5.21. Click the blue addition symbol in the
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Figure 5.20 Dirichlet boundary condition 1 window.
Boundary Selection area of the settings window to add these four boundaries
as Dirichlet Boundary Condition 1. In the Dirichlet Boundary Condition area
of the settings window, change the value of r to ‘‘V’’. This completes the
adjustments to the General Form PDE (g) physics, which are used to describe
Poisson’s equation.
Under Model Builder, expand Model 1 and select Electric Currents (ec) to
open the corresponding settings window (see Figure 5.22). This physics
module will be used for modeling the electrode domains. In the Domain
Selection area, remove domains 2 and 5 by selecting them and clicking the
blue subtract button. Domains 1, 3, 4, and 6 should be the active domains
for the Electric Currents physics. In the Thickness area, change the Out-of-
plane thickness to ‘‘width_IPMC’’.
Expand Electric Currents (ec) in the Model Builder and select Current
Conservation 1 to open the corresponding settings window (see Figure 5.23).
In the Conduction Current area, change Electrical conductivity to User de-
fined and change the value to ‘‘1/resist’’. In the Electric Field area, change
Relative permittivity to User defined.
Then, right-click on Electric Currents (ec) in the Model Builder and select
Electric Potential to add Electric Potential 1 to the current physics. In the
Published on 19 November 2015 on https://pubs.rsc.org |
Figure 5.21
Selecting the polymer–electrode interface boundaries with the Zoom Box tool.
Chapter 5 204
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Figure 5.22 Electric currents window.
Electric Potential 1 settings window, domains 5 and 7 are to be added in the

Boundary Selection area (see Figure 5.24). This is done similarly to selecting
the Dirichlet boundaries for the General Form PDE physics. In the Graphics
window, zoom out with the Zoom Out or Zoom Extents buttons. Use the
Zoom Box to zoom into the top-left corner of the geometry. Ctrl-left-click
boundaries 5 and 7, which should change to the color red. Click the blue
addition symbol in the Boundary Selection area of the settings window.
Change the value for Electric potential to ‘‘Vpos’’.
Again, right-click on Electric Currents (ec) in the Model Builder and select
Electric Potential to add Electric Potential 2 to the physics. Boundaries 1 and
2 are to be selected for Electric Potential 2, which can be located by zooming
into the bottom-left corner of the geometry in the graphics window. Ctrl-left-
click these boundaries and click the blue addition symbol in the Boundary
Selection area to add these boundaries. Change the value of Electric po-
tential to ‘‘Vneg’’ (see Figure 5.25). This completes adjustments to the Model
1 physics and boundary conditions.
Note that in order to completely incorporate the ionic current effect for the
electrodes as described in Section 5.1.2, the current density boundary
206
Figure 5.24
Figure 5.23
Electric potential 1 window.

Current conservation window.
Chapter 5
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Figure 5.25 Electric potential 2 window.
condition in eqn (5.21) would need to be applied to the polymer–electrode

@f
interface. The spatial and time-dependent term r in eqn (5.21) can be
@t
calculated for the given model using the relation ‘‘(uyt*ec.-
ny þ uxt*ec.nx)*epsilon’’, where ‘‘u’’ is the electric potential in the General
Form PDE (g) model. The quantities ‘‘ec.ny’’ and ‘‘ec.nx’’ are the normal unit
vectors on the electrode domain Electric Current (ec) boundaries. For the given
model, the electrode effect is not significant, but in cases where high resist-
ance electrodes or higher input voltages are used, the term should be included
for more accurate calculations.
In the Model Builder, expand Model 2 and select Solid Mechanics (solid)
to open the corresponding settings window (see Figure 5.26). In the Domain
Selection area, remove domains 1 and 3 from the physics by selecting them
and clicking the blue subtraction button. Under Thickness, change the value
of d to ‘‘width_IPMC’’.
Next, expand Solid Mechanics (solid) in the Model Builder and select
Linear Elastic Material 1 (see Figure 5.27). Change Young’s modulus to User
defined and enter the value ‘‘Young_IPMC’’. Change Poisson’s ratio to User
defined with a value of ‘‘Poisson_IPMC’’. Change Density to User defined
with a value of ‘‘density_IPMC’’. Young_IPMC, Poission_IPMC, and densi-
ty_IPMC correspond to E, v, and rp in eqn (5.8) through (5.10), respectively.
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208 Chapter 5
Figure 5.26 Solid mechanics window.
Then, right-click on Solid Mechanics (solid) in the Model Builder and

select Fixed Constraint (see Figure 5.28). Use the Zoom Box tool in the
Graphics window to zoom into the interface of the 10 mm clamp and 40 mm
free end. Ctrl-left-click boundaries 8, 10, and 12 and click the blue addition
button to add these to the Boundary Selection.
Again, right-click on Solid Mechanics (solid) in the Model Builder and
select Boundary Load (see Figure 5.29). Add boundary 13 (the polymer–top
electrode interface) to the Boundary Selection. In the Force area of the set-
tings window, change the y value to ‘‘-(F_z*width_IPMC)’’, where ‘‘F_z’’ is the
y-directional component in the body force vector in eqn (5.10). The x-
directional component of the force vector is assumed to be negligible for
deformation calculations and is set to 0 for computational efficiency.
Again, right-click on Solid Mechanics (solid) in the Model Builder and
select Boundary Load. Add boundary 11 (the polymer–bottom electrode
interface) to the Boundary Selection (see Figure 5.30). In the Force area of the
settings window, change the y value to ‘‘(F_z*width_IPMC)’’. This completes
adjustments to the Model 2 physics and boundary conditions.
View Online
Figure 5.27 Linear elastic material window.
Figure 5.28 Fixed constraint window.
5.3.6 Mesh
Expand Model 1 in the Model Builder and right-click on Mesh 1. Highlight
More Operations and select Edge. In the Edge 1 settings window, add
boundary 3 to the Boundary Selection. Right-click Edge 1 in the Model
View Online
210 Chapter 5
Figure 5.29 Boundary load 1 window.
Builder and select Distribution. In the corresponding settings window,

change the Number of elements to ‘‘5000’’.
Again, right-click Mesh 1 in the Model Builder and add another Edge
component. For Edge 2, add boundaries 1 and 5 to the Boundary Selection.
Right-click Edge 2 in the Model Builder and select Distribution. Change the
Number of elements to ‘‘2’’. Then, right-click on Mesh 1 in the Model
Builder and select Mapped. This completes Mesh 1.
Next, expand Model 2 in the Model Builder and right-click on Mesh 2. Add
an Edge component with boundary 3 as the Boundary Selection. Right-click
Edge 1 under Mesh 2 and select Distribution. Change the Number of
elements to ‘‘1’’. Right-click Mesh 2 in the Model Builder to add another
Edge. Select boundaries 1 and 5 for Edge 2. Right-click Edge 2 in the Model
View Online
Figure 5.30 Boundary load 2 window.
Builder and select Distribution. Change the Number of elements to ‘‘2’’.

Then, right-click on Mesh 2 in the Model Builder and select Mapped. This
completes Mesh 2.
5.3.7 Displaying Results

In the Model Builder, click on Study 1 to open the corresponding settings
window and click the Compute button (see Figure 5.31). This will begin
running computations for the first study; that is, this will solve the Poisson–
Nernst–Planck model to find the charge density for the voltage input at the
electrodes.
View Online
212 Chapter 5
Figure 5.31 Study window.

Figure 5.32 Default COMSOL deformation plot for the given example IPMC model.
The green loading bar in the bottom-right-hand corner of the COMSOL

interface indicates the amount of data processed. Once finished, default re-
sult plots for electric potential, cation concentration, and charge throughout
the polymer will be presented in the Results section of the Model Builder.
Next, click on Study 2 in the Model Builder and click Compute to run the
second study. This will begin running computations for the deformation
induced by the charge density, given the utilized proportional coupling.
Once finished, another default plot showing deformation and von Mises
stress throughout the IPMC at each time step will be shown, as depicted in
Figure 5.32 for time ¼ 2.5 s.
In the Model Builder, expand Results to locate the created default plots.
Additionally, the functions of Data Sets, Tables, and Export can be used to
create user-specified data files and plots, such as the IPMC tip displacement
plot for the given example shown in Figure 5.33.
View Online
Figure 5.33 User-specified COMSOL plot showing tip displacement against time for
the given example.
5.4 Summary
The basic theory of IPMC material electromechanical and mechanoelectrical
transduction was presented. This chapter included the equations for cal-
culating time-dependent local charge density in the polymer, electric current
distribution in the electrodes, and deformation of the material.
Often in practical modeling problems, a basic initial model of IPMC
electromechanical transduction (or voltage-induced deformation) working
could pose a challenge to development. Based on the experience of the
authors, the available theory, while being very useful for complex problems,
could sometimes be rather difficult to apply, which can make the first
modeling experience of an IPMC overly time-consuming. Thus, a straight-
forward step-by-step guide for modeling the electromechanical deformation
of an IPMC using COMSOL Multiphysicss modeling software was presented.
This can serve as a quick-start guide for anyone interested in researching
either the electromechanical or mechanoelectrical transduction phenomena
of IPMC materials further.
References
1. D. Pugal, Physics based model of ionic polymer-metal composite elec-
tromechanical and mechanoelectrical transduction, PhD dissertation,
UNR, 2012.
2. D. Pugal, P. Solin, K. J. Kim and A. Aabloo, hp-FEM Electromechanical
transduction model of ionic polymer–metal composites, J. Comput. Appl.
Mathem., 2014, 260, 135–148.
3. S. Nemat-Nasser and J. Y. Li, Electromechanical response of ionic
polymer-metal composites, J. Appl. Phys., 2000, 87(7), 3321–3331.
View Online
214 Chapter 5
4. K. Farinholt and D. J. Leo, Modeling of electromechanical charge sens-

ing in ionic polymer transducers, Mech. Mater., 2004, 36(5–6), 421–433.
5. Z. Chen, X. Tan, A. Will and C. Ziel, A dynamic model for ionic polymer–
metal composite sensors, Smart Mater. Struct., 2007, 16(4), 1477.
6. D. Pugal, P. Solin, A. Aabloo and K. J. Kim, IPMC mechanoelectrical

transduction: its scalability and optimization, Smart Mater. Struct., 2013,
22(12).
7. P. E. Grimshaw, J. H. Nussbaum, A. J. Grodzinsky and M. L. Yarmush,
Kinetics of electrically and chemically induced swelling in polyelec-
trolyte gels, J. Chem. Phys., 1990, 93(6), 4462–4472.
8. M. Porfiri, An electromechanical model for sensing and actuation of
ionic polymer metal composites, Smart Mater. Struct., 2009,
18(1), 015016.
9. M. Aureli, W. Lin and M. Porfiri, On the capacitance-boost of ionic
polymer metal composites due to electroless plating: theory and ex-
periments, J. Appl. Phys., 2009, 105.

10. B. Akle, M. Bennett, D. Leo, K. Wiles and J. McGrath, Direct assembly
process: a novel fabrication technique for large strain ionic polymer
transducers, J. Mater. Sci., 2007, 42, 7031–7041.
11. A. Punning, M. Kruusmaa and A. Aabloo, Surface resistance experiments
with IPMC sensors and actuators, Sens. Actuators, A, 2007, 133(1), 200–
209.

Modeling Ionic Polymer Metal Composites With COMSOL: Step-by-Step Guide

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Published on 19 November 2015 on https://pubs.rsc.org | doi:10.

Modeling Ionic Polymer Metal

DAVID PUGAL,a,b TYLER STALBAUM,a VILJAR PALMREa AND

5.1 Ionic Polymer Metal Composite Physics-based

RSC Smart Materials No. 17

Figure 5.1 Conceptual model of an IPMC.

where C is the cation concentration, m is the mobility of cations, D is the

explicitly expressed as:

models of IPMC electromechanical and mechanoelectrical transduction with

Figure 5.2 Electromechanical model (left) and mechanoelectrical model (right).

where r is the charge density and is defined as:

electric permittivity that can be explicitly written as e ¼ e0er, where e0 is the

Ca ¼ C0(1 dV) (5.6)

introduces the dynamic part. In cases of electromechanical transduction, the

To couple the ionic current—described with the Nernst–Planck equation

applying Gauss’s law.1 Let us consider an IPMC consisting of electrode do-

Ð vector on @G. Considering that in O the net charge

expression can be simplified as follows:

As the y-directional potential gradient in the electrode is expected to be

5.2 Theory and Application for Practical Modeling

case of electromechanical transduction, |F rf|c|DV rP|, thus the third flux

5.3 Example Model: Electromechanical Actuation

5.3.1 Model Wizard

Figure 5.6 Model Wizard window.

Figure 5.7 Selected physics window.

second model. In the given example, the IPMC electromechanical trans-

Figure 5.8 Rectangle settings window.

Figure 5.9 Point settings window.

Return to the Model Builder window and expand Model 1, expand

5.3.3 Global Definitions

Figure 5.10 Global parameters window.

Table 5.1 Global parameters.

Right-click Global Definitions in the Model Builder and select Parameters

Figure 5.11 Global variables window.

Table 5.2 Global variables.

Variables shown in Table 5.2 similarly to the method of inputting Global

5.3.4 Model Definitions

5.3.5 Domain Physics and Boundary Conditions

Figure 5.12 Model 1 variables window.

Table 5.3 Model 1 variables.

Figure 5.13 Identity mapping.

Figure 5.14 Model 2 variables.

Table 5.4 Model 2 variables.

Figure 5.15 Transport physics window.

Then, under Transport Mechanisms, deselect Convection and select Mi-

Figure 5.16 Diﬀusion and migration.

The default boundary conditions for the Transport of Diluted Species

Figure 5.17 Transport physics initial values.

Figure 5.18 General form PDE window.

Figure 5.19 General form PDE settings window.

Figure 5.20 Dirichlet boundary condition 1 window.

Figure 5.22 Electric currents window.

Electric Potential 1 settings window, domains 5 and 7 are to be added in the

Electric potential 1 window.

Figure 5.25 Electric potential 2 window.

condition in eqn (5.21) would need to be applied to the polymer–electrode

Figure 5.26 Solid mechanics window.

Then, right-click on Solid Mechanics (solid) in the Model Builder and

Figure 5.27 Linear elastic material window.

Figure 5.28 Fixed constraint window.

Figure 5.29 Boundary load 1 window.

Builder and select Distribution. In the corresponding settings window,

Figure 5.30 Boundary load 2 window.