Skip to content
/ concentration-cell Public

Simulation of electrochemical kinetics | Butler Volmer equation

2 stars 0 forks Branches Tags Activity
Star
Notifications You must be signed in to change notification settings

jannikwiessler/concentration-cell

BranchesTags

Repository files navigation

Konzentrationszelle

Matlab GUI for simulation of electrochemical kinetics in a concentration cell.

One can visualize the resulting concentration, excess voltage ('Überspannungen') and molar fluxes in the chambers for a given set of start parameters. The default values represent a Ag/10-3 M Ag+ system containing a 1M HCLO4 as electrolyte at a temperature of 20°C.

Please feel free to change the characteristics of the materials and the the resulting dependencies.

For choosing various solvers please change line 95 in 'konz_zelle_main.m'. As we have a stiff system the default solver is ode15s (BDF, Multistep).

For default settings please use currents in the order of 0.02A to ensure stable integration.

Requirements: optimization toolbox.

Run GUI_konz_zelle.mlapp

Equations:

  • \frac{dc^1_s}{dt}=-\frac{A_w}{V^1_c}r^1_{neg}+\frac{A_w}{V^1_c}r^1_{pos}-\frac{A_w}{V^1_c}\dot{n}_{pos};;(1)

  • \frac{dc^2_s}{dt}=-\frac{A_w}{V^2_c}r^2_{neg}+\frac{A_w}{V^2_c}r^2_{pos}+\frac{A_w}{V^2_c}\dot{n}_{pos};;(2)

  • r^i_{neg}=c^i_sk^0_{neg}e^{-\beta\cdot\frac{E_1F}{RT}},;;i\in{1,2};;(3)

  • r^i_{pos}=10^3\frac{mol}{m^3}k^0_{pos}e^{(1-\beta)\cdot\frac{E_2F}{RT}},;;i\in{1,2};;(4)

  • k^0_{neg}=k_0e^{\beta\cdot\frac{FE_0}{RT}};;(5)

  • k^0_{pos}=k_0e^{(\beta-1)\cdot\frac{FE_0}{RT}};;(6)

  • E_i=E^r_i+\eta_i;;i\in{1,2};;(7)

  • E^r_i=E_0+\frac{RT}{F}log\left(\frac{c^s_i}{10^3\frac{mol}{m^3}}\right);;(8)

Nomenclature:

  • V_1,V_2[m^3] Volume of rection chamber one and two

  • A_w[m^2] Surface of electrode in electrolyte (assume to be the same in both chambers)

  • A_M[m^2] Orthogonal surface of the cation exchange membrane

  • c^1_s,c^2_s[mol/m^3] Electrolytes salt concentration in chamber one and two

  • r^1_{neg},r^2_{neg}[mol/m^2s] Partial anodic reaction in chamber one and two

  • r^1_{pos},r^2_{pos}[mol/m^2s] Partial cathodic reaction in chamber one and two

  • \dot{n}_{pos}[mol/m^2s] Positive molar flux through membrane

About

Simulation of electrochemical kinetics | Butler Volmer equation

Resources

Readme
Activity

Stars

2 stars

Watchers

1 watching

Forks

0 forks
Report repository

Releases

No releases published

Packages

No packages published

Languages