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

In summary, you are trying to simulate an impedance spectroscopy experiment. But you are an absolute beginner in Comsol and have many problems with the work. You are using the AC/DC module, but you are having trouble with the warburg impedance equation. You also want to make the simulations automatic over a defined range of frequencies.
  • #1
FirePhoenix
2
0
Hallo,
i'm trying to implement a comsol simulation of a impedance spectroscopy experiment.
But unfortunatly 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

  • Comsol1.jpeg
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  • Comsol2.jpeg
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  • Comsol3.jpeg
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  • #2
Hi!
I am about to do some simulations of impedance spectroscopy as well. Have you overcome the problems you have mentioned?


Mike
 
  • #3
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
 

1. What is a double layer capacitance and warburg impedance?

Double layer capacitance refers to the charge separation that occurs at the interface between an electrode and an electrolyte solution. It is a result of the accumulation of ions on the electrode surface, creating a layer of charge. Warburg impedance, on the other hand, is a type of impedance that is characterized by a linear frequency dependence and is often observed in electrochemical systems.

2. Why is it important to simulate a double layer capacitance and warburg impedance?

Simulating these phenomena allows us to understand and predict the behavior of electrochemical systems, which are essential in various fields such as energy storage, corrosion prevention, and biosensors. It also helps in optimizing system parameters and performance.

3. How does COMSOL simulate double layer capacitance and warburg impedance?

COMSOL uses the finite element method to solve the governing equations for electrochemical systems, including the Poisson-Nernst-Planck equations for charge transport and the Butler-Volmer equation for interfacial reactions. The software also offers various boundary conditions and material properties that can be customized for specific simulations.

4. What are the limitations of simulating double layer capacitance and warburg impedance with COMSOL?

One limitation is that the accuracy of the simulation depends on the quality of the input parameters and assumptions made. It is also limited by the complexity of the system and the computational resources available. Additionally, the simulation may not fully capture the effects of non-idealities and uncertainties present in real systems.

5. How can the results from COMSOL simulations of double layer capacitance and warburg impedance be validated?

The simulation results can be validated by comparing them with experimental data from similar systems. This can help to identify any discrepancies and improve the simulation model. Additionally, sensitivity analysis and parameter optimization can be performed to further validate the results and improve the accuracy of the simulation.

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