ASL
0.1.6
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 |
typedef SPDataWithGhostNodesACLData | Data |
typedef SPAbstractDataWithGhostNodes | Field |
typedef acl::VectorOfElements | Param |
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typedef SPAbstractDataWithGhostNodes | Field |
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 () |
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 () | |
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 () |
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 () |
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) |
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) | |
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 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::addAI | ( | Data | ai, |
double | ni | ||
) |
void asl::FDBVKinetics::addAI | ( | Data | ai, |
double | ni | ||
) |
void asl::FDBVKinetics::executeJ | ( | ) |
void asl::FDBVKinetics::executeJ | ( | ) |
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inline |
Definition at line 141 of file aslFDElChemKinetics.h.
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inline |
Field asl::FDBVKinetics::getElectricFieldSource | ( | ) | const |
Field asl::FDBVKinetics::getElectricFieldSource | ( | ) | const |
void asl::FDBVKinetics::setElectricFieldSource | ( | Field | phi | ) |
void asl::FDBVKinetics::setElectricFieldSource | ( | Field | phi | ) |