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Changed the getMobilities routine in MixTransport and SolidTransport
  so that the charge does not appear in the mobility formulation.
This commit is contained in:
Harry Moffat 2010-08-12 22:51:53 +00:00
parent 08a84b83a9
commit 41a6d58d18
3 changed files with 90 additions and 22 deletions
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32
Cantera/src/transport/MixTransport.cpp
View file

@ -302,34 +302,36 @@ namespace Cantera {
return vismix;
}
//====================================================================================================================
/******************* binary diffusion coefficients **************/
// Returns the matrix of binary diffusion coefficients.
/*
*
* d[ld*j + i] = rp * m_bdiff(i,j);
*
* units of m**2 / s
*
* @param ld offset of rows in the storage
* @param d output vector of diffusion coefficients
*/
void MixTransport::getBinaryDiffCoeffs(const int ld, doublereal* const d) {
int i,j;
update_T();
// if necessary, evaluate the binary diffusion coefficents
// from the polynomial fits
// if necessary, evaluate the binary diffusion coefficents from the polynomial fits
if (!m_bindiff_ok) updateDiff_T();
if (ld < m_nsp) {
throw CanteraError(" MixTransport::getBinaryDiffCoeffs()", "ld is too small");
}
doublereal rp = 1.0/pressure_ig();
for (i = 0; i < m_nsp; i++)
for (j = 0; j < m_nsp; j++) {
for (int i = 0; i < m_nsp; i++)
for (int j = 0; j < m_nsp; j++) {
d[ld*j + i] = rp * m_bdiff(i,j);
}
}
//===================================================================================================================
void MixTransport::getMobilities(doublereal* const mobil) {
int k;
getMixDiffCoeffs(DATA_PTR(m_spwork));
doublereal c1 = ElectronCharge / (Boltzmann * m_temp);
for (k = 0; k < m_nsp; k++) {
mobil[k] = c1 * m_spwork[k] * m_thermo->charge(k);
mobil[k] = c1 * m_spwork[k];
}
}
//===================================================================================================================

78
Cantera/src/transport/MixTransport.h
View file

@ -149,6 +149,10 @@ namespace Cantera {
*/
virtual doublereal viscosity();
//! returns the vector of species viscosities
/*!
* @param visc Vector of species viscosities
*/
virtual void getSpeciesViscosities(doublereal* visc)
{ update_T(); updateViscosity_T(); copy(m_visc.begin(), m_visc.end(), visc); }
@ -183,8 +187,17 @@ namespace Cantera {
*/
virtual doublereal thermalConductivity();
//! Returns the matrix of binary diffusion coefficients.
/*!
*
* d[ld*j + i] = rp * m_bdiff(i,j);
*
* units of m**2 / s
*
* @param ld offset of rows in the storage
* @param d output vector of diffusion coefficients
*/
virtual void getBinaryDiffCoeffs(const int ld, doublereal* const d);
//! Returns the Mixture-averaged diffusion coefficients [m^2/s].
/*!
@ -207,9 +220,36 @@ namespace Cantera {
*/
virtual void getMixDiffCoeffs(doublereal* const d);
//! Get the Electrical mobilities (m^2/V/s).
/*!
* This function returns the mobilities. In some formulations
* this is equal to the normal mobility multiplied by Faraday's constant.
*
* Here, the mobility is calculated from the diffusion coefficient using the Einstein relation
*
* \f[
* \mu^e_k = \frac{F D_k}{R T}
* \f]
*
* @param mobil Returns the mobilities of the species in array \c mobil. The array must be
* dimensioned at least as large as the number of species.
*/
virtual void getMobilities(doublereal* const mobil);
//! Update the internal parameters whenever the temperature has changed
/*!
* @internal
* This is called whenever a transport property is requested if the temperature has changed
* since the last call to update_T().
*/
virtual void update_T();
//! Update the internal parameters whenever the concentrations have changed
/*!
* @internal
* This is called whenever a transport property is requested if the concentrations have changed
* since the last call to update_C().
*/
virtual void update_C();
//! Get the species diffusive mass fluxes wrt to the mass averaged velocity,
@ -274,9 +314,7 @@ namespace Cantera {
return (m_thermo->molarDensity() * GasConstant *
m_thermo->temperature());
}
void updateThermal_T();
//! Update the temperature-dependent viscosity terms.
/*!
* Updates the array of pure species viscosities, and the weighting functions in the viscosity mixture rule.
@ -329,9 +367,34 @@ namespace Cantera {
//! Local copy of the species molecular weights.
vector_fp m_mw;
// polynomial fits
//! Polynomial fits to the viscosity of each species
/*!
* m_visccoeffs[k] is vector of polynomial coefficients for species k
* that fits the viscosity as a function of temperature
*/
std::vector<vector_fp> m_visccoeffs;
//! Polynomial fits to the thermal conductivity of each species
/*!
* m_condcoeffs[k] is vector of polynomial coefficients for species k
* that fits the thermal conductivity
*/
std::vector<vector_fp> m_condcoeffs;
//! Polynomial fits to the binary diffusivity of each species
/*!
* m_diffcoeff[ic] is vector of polynomial coefficients for species i species j
* that fits the binary diffusion coefficient. The relationship between i
* j and ic is determined from the following algorithm:
*
* int ic = 0;
* for (i = 0; i < m_nsp; i++) {
* for (j = i; j < m_nsp; j++) {
* ic++;
* }
* }
*
*/
std::vector<vector_fp> m_diffcoeffs;
//! Powers of the ln temperature
@ -340,7 +403,10 @@ namespace Cantera {
*/
vector_fp m_polytempvec;
// property values
//! Matrix of binary diffusion coefficients at the reference pressure and the current temperature
/*!
* Size is nsp x nsp
*/
DenseMatrix m_bdiff;
//! vector of species viscosities (kg /m /s)

2
Cantera/src/transport/SolidTransport.cpp
View file

@ -127,7 +127,7 @@ namespace Cantera {
int nsp = m_thermo->nSpecies();
doublereal c1 = ElectronCharge / (Boltzmann * t);
for (k = 0; k < nsp; k++) {
mobil[k] *= c1 * fabs(m_thermo->charge(k));
mobil[k] *= c1;
}
}
//====================================================================================================================