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This commit is contained in:
Harry Moffat 2010-08-10 21:06:42 +00:00
parent 1c6c9aefea
commit b72581b222
2 changed files with 123 additions and 38 deletions
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41
Cantera/src/transport/MixTransport.cpp
View file

@ -54,11 +54,9 @@ namespace Cantera {
m_cond(0),
m_molefracs(0),
m_poly(0),
m_astar_poly(0),
m_bstar_poly(0),
m_cstar_poly(0),
m_om22_poly(0),
m_astar(0, 0),
m_bstar(0, 0),
m_cstar(0, 0),
m_om22(0, 0),
@ -116,11 +114,9 @@ namespace Cantera {
m_cond(0),
m_molefracs(0),
m_poly(0),
m_astar_poly(0),
m_bstar_poly(0),
m_cstar_poly(0),
m_om22_poly(0),
m_astar(0, 0),
m_bstar(0, 0),
m_cstar(0, 0),
m_om22(0, 0),
@ -191,11 +187,9 @@ namespace Cantera {
m_cond = right.m_cond;
m_molefracs = right.m_molefracs;
m_poly = right.m_poly;
m_astar_poly = right.m_astar_poly;
m_bstar_poly = right.m_bstar_poly;
m_cstar_poly = right.m_cstar_poly;
m_om22_poly = right.m_om22_poly;
m_astar = right.m_astar;
m_bstar = right.m_bstar;
m_cstar = right.m_cstar;
m_om22 = right.m_om22;
@ -425,6 +419,7 @@ namespace Cantera {
sum2 += m_molefracs[k] / m_cond[k];
}
m_lambda = 0.5*(sum1 + 1.0/sum2);
m_condmix_ok = true;
}
return m_lambda;
}
@ -443,14 +438,30 @@ namespace Cantera {
}
}
//===================================================================================================================
/**
* @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.
// Get the species diffusive mass fluxes wrt to the mass averaged velocity,
// given the gradients in mole fraction and temperature
/*
* Units for the returned fluxes are kg m-2 s-1.
*
*
* The diffusive mass flux of species \e k is computed from
* \f[
* \vec{j}_k = -n M_k D_k \nabla X_k.
* \vec{j}_k = -n M_k D_k \nabla X_k.
* \f]
*
* @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 fluxes Output of the diffusive mass fluxes
* Flat vector with the m_nsp in the inner loop.
* length = ldx * ndim
*/
void MixTransport::getSpeciesFluxes(int ndim,
const doublereal* grad_T, int ldx, const doublereal* grad_X,
@ -608,7 +619,7 @@ namespace Cantera {
}
else {
for (k = 0; k < m_nsp; k++) {
m_cond[k] = m_sqrt_t*dot5(m_polytempvec, m_condcoeffs[k]);
m_cond[k] = m_sqrt_t * dot5(m_polytempvec, m_condcoeffs[k]);
}
}
m_spcond_ok = true;
@ -653,7 +664,6 @@ namespace Cantera {
* Update the pure-species viscosities.
*/
void MixTransport::updateSpeciesViscosities() {
int k;
if (m_mode == CK_Mode) {
for (k = 0; k < m_nsp; k++) {
@ -664,13 +674,12 @@ namespace Cantera {
else {
for (k = 0; k < m_nsp; k++) {
// the polynomial fit is done for sqrt(visc/sqrt(T))
m_sqvisc[k] = m_t14*dot5(m_polytempvec, m_visccoeffs[k]);
m_visc[k] = (m_sqvisc[k]*m_sqvisc[k]);
m_sqvisc[k] = m_t14 * dot5(m_polytempvec, m_visccoeffs[k]);
m_visc[k] = (m_sqvisc[k] * m_sqvisc[k]);
}
}
m_spvisc_ok = true;
}
//====================================================================================================================
/*
* Update the temperature-dependent viscosity terms.

120
Cantera/src/transport/MixTransport.h
View file

@ -37,11 +37,44 @@ namespace Cantera {
class GasTransportParams;
/**
* Class MixTransport implements mixture-averaged transport
* properties for ideal gas mixtures. The model is based on that
* described by Kee, Coltrin, and Glarborg, "Theoretical and
* Practical Aspects of Chemically Reacting Flow Modeling."
//! Class MixTransport implements mixture-averaged transport properties for ideal gas mixtures.
/*!
* The model is based on that described by Kee, Coltrin, and Glarborg, "Theoretical and
* Practical Aspects of Chemically Reacting Flow Modeling."
*
*
* The viscosity is computed using the Wilke mixture rule (kg /m /s)
*
* \f[
* \mu = \sum_k \frac{\mu_k X_k}{\sum_j \Phi_{k,j} X_j}.
* \f]
*
* Here \f$ \mu_k \f$ is the viscosity of pure species \e k, and
*
* \f[
* \Phi_{k,j} = \frac{\left[1
* + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2}
* {\sqrt{8}\sqrt{1 + M_k/M_j}}
* \f]
*
*
* The thermal conductivity is computed from the following mixture rule:
* \f[
* \lambda = 0.5 \left( \sum_k X_k \lambda_k + \frac{1}{\sum_k X_k/\lambda_k} \right)
* \f]
*
* It's used to compute the flux of energy due to a thermal gradient
*
* \f[
* j_T = - \lambda \nabla T
* \f]
*
* The flux of energy has units of energy (kg m2 /s2) per second per area.
*
* The units of lambda are W / m K which is equivalent to kg m / s^3 K.
*
*
*/
class MixTransport : public Transport {
@ -53,6 +86,7 @@ namespace Cantera {
MixTransport();
public:
//!Copy Constructor for the %MixTransport object.
/*!
* @param right %LiquidTransport to be copied
@ -92,9 +126,25 @@ namespace Cantera {
return cMixtureAveraged;
}
//! Viscosity of the mixture
//! Viscosity of the mixture (kg /m /s)
/*!
* The viscosity is computed using the Wilke mixture rule (kg /m /s)
*
* \f[
* \mu = \sum_k \frac{\mu_k X_k}{\sum_j \Phi_{k,j} X_j}.
* \f]
*
* Here \f$ \mu_k \f$ is the viscosity of pure species \e k, and
*
* \f[
* \Phi_{k,j} = \frac{\left[1
* + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2}
* {\sqrt{8}\sqrt{1 + M_k/M_j}}
* \f]
*
* @return Returns the viscosity of the mixture ( units = Pa s = kg /m /s)
*
* @see updateViscosity_T();
*/
virtual doublereal viscosity();
@ -161,20 +211,25 @@ namespace Cantera {
virtual void update_T();
virtual void update_C();
//! Get the species diffusive mass fluxes wrt to
//! the mass averaged velocity,
//! Get the species diffusive mass fluxes wrt to the mass averaged velocity,
//! given the gradients in mole fraction and temperature
/*!
* Units for the returned fluxes are kg m-2 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
*
*
* The diffusive mass flux of species \e k is computed from
* \f[
* \vec{j}_k = -n M_k D_k \nabla X_k.
* \f]
*
* @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 fluxes Output of the diffusive mass fluxes
@ -250,20 +305,41 @@ namespace Cantera {
// property values
DenseMatrix m_bdiff;
//! vector of species viscosities
//! vector of species viscosities (kg /m /s)
/*!
* These are used in wilke's rule to calculate the viscosity of the solution
* length = m_kk
*/
vector_fp m_visc;
//! vector of square root of species viscosities sqrt(kg /m /s)
/*!
* These are used in wilke's rule to calculate the viscosity of the solution
* length = m_kk
*/
vector_fp m_sqvisc;
vector_fp m_cond;
//! vector of species thermal conductivities (W/m /K)
/*!
* These are used in wilke's rule to calculate the viscosity of the solution
* units = W /m /K = kg m /s^3 /K.
* length = m_kk
*/
vector_fp m_cond;
//! Vector of species molefractions
array_fp m_molefracs;
/*!
* These are processed so that all mole fractions are >= MIN_X
* Length = m_kk
*/
vector_fp m_molefracs;
std::vector<std::vector<int> > m_poly;
std::vector<vector_fp > m_astar_poly;
std::vector<vector_fp > m_bstar_poly;
std::vector<vector_fp > m_cstar_poly;
std::vector<vector_fp > m_om22_poly;
DenseMatrix m_astar;
DenseMatrix m_bstar;
DenseMatrix m_cstar;
DenseMatrix m_om22;