ASL 0.1.7
Advanced Simulation Library
|
Numerical method which computes electrode reactions. More...
#include <aslFDElChemKinetics.h>
Numerical method which computes electrode reactions.
!!!!!!!!!!!!need corrections
Description of an electrochemical kinetic reaction on an electrode:
\[ \ce{A <-> A^{n+} + n e-} \]
The reaction kinetics is described by the Butler-Volmer equation:
\[ j = j_0 c_A \cdot \left( e^{\frac { \alpha_a nF \eta} {RT}} - e^{ - { \frac { \alpha_c nF \eta} {RT}} } \right), \]
where
The equation describes chemical reaction namely it can be used together with an appropriate transport equations and equation for the elecrostatic potential:
\[ c_A^R = c_A - j \]
\[ c_{A^{n+}}^R = c_{A^{n+}} + j \]
\[ \vec\nabla \kappa \vec\nabla\phi + S_\phi = 0 \]
class parameters are related to the quation ones as follows
a0 | molar concentration of the component before reaction |
aI | molar concentration of the ionized component |
efSPhi | source term in the equation for electrostatic potential |
phi | electrostatic potential, \( \phi \) |
j0 | corresponds to \( j_0 \), note it should have the same units as concentrations |
phi0 | corresponds to \( \phi_{eq} \) |
alphaA | corresponds to \( \frac { \alpha_a F} {RT} \) |
alphaC | corresponds to \( \frac { \alpha_c F} {RT} \) |
n | corresponds to \( n \) |
Definition at line 88 of file aslFDElChemKinetics.h.
Definition at line 91 of file aslFDElChemKinetics.h.
Definition at line 91 of file aslFDElChemKinetics.h.
Definition at line 92 of file aslFDElChemKinetics.h.
Definition at line 92 of file aslFDElChemKinetics.h.
Definition at line 93 of file aslFDElChemKinetics.h.
Definition at line 93 of file aslFDElChemKinetics.h.
asl::FDBVKinetics::FDBVKinetics | ( | Data | a0, |
double | n0, | ||
Data | aI, | ||
double | nI, | ||
Data | phiS, | ||
Field | phi, | ||
const Param & | j0, | ||
const Param & | beta, | ||
double | n | ||
) |
asl::FDBVKinetics::FDBVKinetics | ( | Data | a0, |
double | n0, | ||
Data | aI, | ||
double | nI, | ||
Data | phiS, | ||
Field | phi, | ||
const Param & | j0, | ||
const Param & | beta, | ||
double | n | ||
) |
void asl::FDBVKinetics::executeJ | ( | ) |
void asl::FDBVKinetics::executeJ | ( | ) |
|
inline |
Definition at line 141 of file aslFDElChemKinetics.h.
Field asl::FDBVKinetics::getElectricFieldSource | ( | ) | const |
Field asl::FDBVKinetics::getElectricFieldSource | ( | ) | const |