Simulation of a double layer capacitance and a warburg impedance with comsol

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SUMMARY

This discussion focuses on simulating impedance spectroscopy using COMSOL's AC/DC module, specifically through transient analysis. The user, FirePhoenix, encounters challenges in modeling a double layer capacitance and incorporating Warburg impedance into boundary conditions. Key parameters include defining frequency with the scalar variable nu_emqvw, and setting values for epsilon_r and sigma in the double layer region. Mike provides insights on using specific constants such as A0_CPE and psi_CPE to resolve these issues.

PREREQUISITES
  • Familiarity with COMSOL Multiphysics, specifically the AC/DC module
  • Understanding of impedance spectroscopy concepts
  • Knowledge of boundary conditions in finite element analysis
  • Basic understanding of complex impedance equations, including Warburg impedance
NEXT STEPS
  • Research how to implement distributed impedance in COMSOL boundary conditions
  • Learn about defining scalar variables in COMSOL for frequency representation
  • Explore the mathematical formulation of Warburg impedance and its application in simulations
  • Investigate methods for automating frequency sweeps in COMSOL simulations
USEFUL FOR

This discussion is beneficial for researchers and engineers involved in electrochemistry, particularly those working with impedance spectroscopy simulations in COMSOL. It is also useful for beginners seeking to understand the complexities of modeling double layer capacitance and Warburg impedance.

FirePhoenix
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Hallo,
i'm trying to implement a comsol simulation of a impedance spectroscopy experiment.
But unfortunately I'm an absolut beginner in Comsol and i have many problems with this work.

First of all i want to say that I'm using the AC/DC module, more precisely the transient analysis.
At the moment I'm using a simple 2D geometry to try out all equations and boundary conditions.


Now to the first problem:
I tried to simulate only a double layer capacitance between an electrode and a drop of water. The double layer thickness is very small compared to the dimensions of the electrodes, so I didn't want to draw it, but use a distributed impedance for the boundary condition between the electrode and the drop of water.
The other boundary conditions are:
Potential V= sin(10*t) on the left side of the electrode.
Potential V= -sin(10*t) on the right side of the drop of water.
All other boundaries are electrical insulated.
But it wasn't sucessfuly, I always receive the whole potencial difference over the drop of water and not over the distributed impedance.


The second problem is that I have no idea how to bring the warburg impedance equation into the boundary conditions.
The equation is something like Z= sigma/sqrt(w)*(1-j), but where do I place that and how can i express w?


Finaly remains the question, if it is possible to make the simulations automatic over a defined range of frequencies and to calculate a complex impedance out of the result.

Attachments:
Comsol1: result, up a simulation with a drawed double layer, down the distributed impedance.
Comsol2: the boundary condition for the distributed impedance
Comsol3: the boundary condition of the electrode


thanke you for your help
and sorry for my bad english

cu FirePhoenix
 

Attachments

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  • Comsol2.jpeg
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Hi!
I am about to do some simulations of impedance spectroscopy as well. Have you overcome the problems you have mentioned?


Mike
 
I'm still working on it.

But at the moment it looks good.

You have to define the frequency over the scalar variable: nu_emqvw,
and then define the epsilon_r and the sigma of the doublelayer region as:

A0_CPE= 1e-6; (use the value of your measurements)
psi_CPE= 0.5; (0.5 for warburg impedance)

sigma= (sig_DL+ A0_CPE*(2*pi*frequenz).^psi_CPE*cos(psi_CPE*pi/2));
epsilon_r= e_DL+ A0_CPE/(epsilon_0)*(2*pi*frequenz).^(psi_CPE-1)*sin(psi_CPE*pi/2);

lg
FirePhoenix
 

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