ASL
0.1.7
Advanced Simulation Library
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Numerical method which computes electrode reactions. More...
#include <aslFDElChemKinetics.h>
Public Types | |
typedef SPDataWithGhostNodesACLData | Data |
typedef SPAbstractDataWithGhostNodes | Field |
typedef acl::VectorOfElements | Param |
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typedef SPAbstractDataWithGhostNodes | Field |
Public Member Functions | |
FDBVKinetics (Data a0, double n0, Data aI, double nI, Data phiS, Field phi, const Param &j0, const Param &beta, double n) | |
void | setElectricFieldSource (Field phi) |
Field | getElectricFieldSource () const |
Data & | getAI (unsigned int i=0) |
void | addAI (Data ai, double ni) |
void | executeJ () |
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void | setMap (Field map) |
~SingleKernelMapNM () | |
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virtual void | execute () |
Executes the numerical procedure. More... | |
virtual void | init () |
Builds the necesery internal data and kernels. More... | |
virtual | ~SingleKernelNM () |
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virtual | ~NumMethod () |
Additional Inherited Members | |
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SingleKernelMapNM (const acl::KernelConfiguration &kernelCongig) | |
SingleKernelMapNM (Field map, const acl::KernelConfiguration &kernelCongig) | |
void | initMapInfrastructure (acl::ExpressionContainer &k) |
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virtual void | preProcessing () |
the function executed before kernel->compute() More... | |
virtual void | postProcessing () |
the function executed after kernel->compute() More... | |
SingleKernelNM (const acl::KernelConfiguration &kernelCongig) | |
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acl::SPKernel | kernel |
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 92 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 | ||
) |
void asl::FDBVKinetics::addAI | ( | Data | ai, |
double | ni | ||
) |
void asl::FDBVKinetics::executeJ | ( | ) |
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inline |
Definition at line 141 of file aslFDElChemKinetics.h.
Field asl::FDBVKinetics::getElectricFieldSource | ( | ) | const |
void asl::FDBVKinetics::setElectricFieldSource | ( | Field | phi | ) |