doublereal LiquidTransport::getElectricConduct()
{
vector_fp gradT(m_nDim,0.0);
vector_fp gradX(m_nDim * m_nsp);
vector_fp gradV(m_nDim);
for (size_t i = 0; i < m_nDim; i++) {
for (size_t k = 0; k < m_nsp; k++) {
gradX[ i*m_nDim + k] = 0.0;
}
gradV[i] = 1.0;
}
set_Grad_T(&gradT[0]);
set_Grad_X(&gradX[0]);
set_Grad_V(&gradV[0]);
vector_fp fluxes(m_nsp * m_nDim);
doublereal current;
getSpeciesFluxesExt(m_nDim, &fluxes[0]);
//sum over species charges, fluxes, Faraday to get current
// Since we want the scalar conductivity, we need only consider one-dim
for (size_t i = 0; i < 1; i++) {
current = 0.0;
for (size_t k = 0; k < m_nsp; k++) {
current += m_chargeSpecies[k] * Faraday * fluxes[k] / m_mw[k];
}
//divide by unit potential gradient
current /= - gradV[i];
}
return current;
}
void LiquidTransport::getElectricCurrent(int ndim,
const doublereal* grad_T,
int ldx,
const doublereal* grad_X,
int ldf,
const doublereal* grad_V,
doublereal* current)
{
set_Grad_T(grad_T);
set_Grad_X(grad_X);
set_Grad_V(grad_V);
vector_fp fluxes(m_nsp * m_nDim);
getSpeciesFluxesExt(ldf, &fluxes[0]);
//sum over species charges, fluxes, Faraday to get current
for (size_t i = 0; i < m_nDim; i++) {
current[i] = 0.0;
for (size_t k = 0; k < m_nsp; k++) {
current[i] += m_chargeSpecies[k] * Faraday * fluxes[k] / m_mw[k];
}
//divide by unit potential gradient
}
}
/**
* @param ndim The number of spatial dimensions (1, 2, or 3).
* @param grad_T The temperature gradient (ignored in this model).
* @param ldx Leading dimension of the grad_X array.
* The diffusive mass flux of species \e k is computed from
*
* \f[
* \vec{j}_k = -n M_k D_k \nabla X_k.
* \f]
*/
void LiquidTransport::getSpeciesFluxes(size_t ndim,
const doublereal* grad_T,
int ldx, const doublereal* grad_X,
int ldf, doublereal* fluxes) {
set_Grad_T(grad_T);
set_Grad_X(grad_X);
getSpeciesFluxesExt(ldf, fluxes);
}
void AqueousTransport::getSpeciesFluxes(size_t ndim, const doublereal* const grad_T,
size_t ldx, const doublereal* const grad_X,
size_t ldf, doublereal* const fluxes)
{
set_Grad_T(grad_T);
set_Grad_X(grad_X);
getSpeciesFluxesExt(ldf, fluxes);
}
void LiquidTransport::getSpeciesVdiff(size_t ndim,
const doublereal* grad_T,
int ldx, const doublereal* grad_X,
int ldf, doublereal* Vdiff)
{
set_Grad_T(grad_T);
set_Grad_X(grad_X);
getSpeciesVdiffExt(ldf, Vdiff);
}
/*
* The average velocity can be computed on a mole-weighted
* or mass-weighted basis, or the diffusion velocities may
* be specified as relative to a specific species (i.e. a
* solvent) all according to the velocityBasis input parameter.
*
* Units for the returned velocities are m s-1.
*
* @param ndim Number of dimensions in the flux expressions
* @param grad_T Gradient of the temperature
* (length = ndim)
* @param ldx Leading dimension of the grad_X array
* (usually equal to m_nsp but not always)
* @param grad_X Gradients of the mole fraction
* Flat vector with the m_nsp in the inner loop.
* length = ldx * ndim
* @param ldf Leading dimension of the fluxes array
* (usually equal to m_nsp but not always)
* @param grad_Phi Gradients of the electrostatic potential
* (length = ndim)
* @param Vdiff Output of the species diffusion velocities
* Flat vector with the m_nsp in the inner loop.
* length = ldx * ndim
*/
void SimpleTransport::getSpeciesVdiffES(size_t ndim, const doublereal* grad_T,
int ldx, const doublereal* grad_X,
int ldf, const doublereal* grad_Phi,
doublereal* Vdiff)
{
set_Grad_T(grad_T);
set_Grad_X(grad_X);
set_Grad_V(grad_Phi);
const doublereal* y = m_thermo->massFractions();
const doublereal rho = m_thermo->density();
getSpeciesFluxesExt(m_nsp, DATA_PTR(Vdiff));
for (size_t n = 0; n < m_nDim; n++) {
for (size_t k = 0; k < m_nsp; k++) {
if (y[k] > 1.0E-200) {
Vdiff[n * m_nsp + k] *= 1.0 / (rho * y[k]);
} else {
Vdiff[n * m_nsp + k] = 0.0;
}
}
}
}