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This commit is contained in:
Harry Moffat 2010-08-22 17:46:08 +00:00
parent 1baff10c03
commit 21ebf88766
3 changed files with 89 additions and 85 deletions
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120
Cantera/src/transport/AqueousTransport.cpp
View file

@ -36,9 +36,8 @@ using namespace std;
namespace Cantera {
//////////////////// class AqueousTransport methods //////////////
//====================================================================================================================
AqueousTransport::AqueousTransport() :
m_nsp(0),
m_tmin(-1.0),
@ -68,7 +67,7 @@ namespace Cantera {
}
//====================================================================================================================
// Initialize the object
/*
* This is where we dimension everything.
@ -136,17 +135,7 @@ namespace Cantera {
return true;
}
/*********************************************************
*
* Public methods
*
*********************************************************/
/****************** viscosity ******************************/
//====================================================================================================================
/*
* The viscosity is computed using the Wilke mixture rule.
* \f[
@ -179,12 +168,19 @@ namespace Cantera {
}
return m_viscmix;
}
/******************* binary diffusion coefficients **************/
//================================================================================================
//====================================================================================================================
// Returns the pure species viscosities
/*
*
* Controlling update boolean = m_viscwt_ok
*
* @param visc Vector of species viscosities
*/
void AqueousTransport::getSpeciesViscosities(doublereal * const visc) {
updateViscosity_T();
copy(m_visc.begin(), m_visc.end(), visc);
}
//====================================================================================================================
void AqueousTransport::getBinaryDiffCoeffs(const int ld, doublereal* const d) {
int i,j;
@ -201,7 +197,7 @@ namespace Cantera {
d[ld*j + i] = rp * m_bdiff(i,j);
}
}
//================================================================================================
//====================================================================================================================
// Get the electrical Mobilities (m^2/V/s).
/*
* This function returns the mobilities. In some formulations
@ -226,7 +222,7 @@ namespace Cantera {
mobil[k] = c1 * m_spwork[k];
}
}
//================================================================================================
//====================================================================================================================
void AqueousTransport::getFluidMobilities(doublereal* const mobil) {
getMixDiffCoeffs(DATA_PTR(m_spwork));
doublereal c1 = 1.0 / (GasConstant * m_temp);
@ -234,19 +230,19 @@ namespace Cantera {
mobil[k] = c1 * m_spwork[k];
}
}
//================================================================================================
//====================================================================================================================
void AqueousTransport::set_Grad_V(const doublereal* const grad_V) {
for (int a = 0; a < m_nDim; a++) {
m_Grad_V[a] = grad_V[a];
}
}
//================================================================================================
//====================================================================================================================
void AqueousTransport::set_Grad_T(const doublereal* const grad_T) {
for (int a = 0; a < m_nDim; a++) {
m_Grad_T[a] = grad_T[a];
}
}
//================================================================================================
//====================================================================================================================
void AqueousTransport::set_Grad_X(const doublereal* const grad_X) {
int itop = m_nDim * m_nsp;
for (int i = 0; i < itop; i++) {
@ -254,9 +250,6 @@ namespace Cantera {
}
}
//====================================================================================================================
/****************** thermal conductivity **********************/
/*
* The thermal conductivity is computed from the following mixture rule:
* \[
@ -281,15 +274,24 @@ namespace Cantera {
}
return m_lambda;
}
/****************** thermal diffusion coefficients ************/
//====================================================================================================================
/**
* Thermal diffusion is not considered in this mixture-averaged
* model. To include thermal diffusion, use transport manager
* MultiTransport instead. This methods fills out array dt with
* zeros.
// Return a vector of Thermal diffusion coefficients [kg/m/sec].
/*
* The thermal diffusion coefficient \f$ D^T_k \f$ is defined
* so that the diffusive mass flux of species <I>k<\I> induced by the
* local temperature gradient is given by the following formula
*
* \f[
* M_k J_k = -D^T_k \nabla \ln T.
* \f]
*
* The thermal diffusion coefficient can be either positive or negative.
*
* In this method we set it to zero.
*
* @param dt On return, dt will contain the species thermal
* diffusion coefficients. Dimension dt at least as large as
* the number of species. Units are kg/m/s.
*/
void AqueousTransport::getThermalDiffCoeffs(doublereal* const dt) {
int k;
@ -297,8 +299,6 @@ namespace Cantera {
dt[k] = 0.0;
}
}
//====================================================================================================================
// Get the species diffusive mass fluxes wrt to the specified solution averaged velocity,
// given the gradients in mole fraction and temperature
@ -515,15 +515,8 @@ namespace Cantera {
m_molefracs[k] = fmaxx(MIN_X, m_molefracs[k]);
}
}
//====================================================================================================================
/*************************************************************************
*
* methods to update temperature-dependent properties
*
*************************************************************************/
/**
//====================================================================================================================
/*
* Update the temperature-dependent parts of the mixture-averaged
* thermal conductivity.
*/
@ -544,8 +537,7 @@ namespace Cantera {
m_condmix_ok = false;
}
//====================================================================================================================
/**
/*
* Update the binary diffusion coefficients. These are evaluated
* from the polynomial fits at unit pressure (1 Pa).
*/
@ -577,9 +569,8 @@ namespace Cantera {
m_bindiff_ok = true;
m_diffmix_ok = false;
}
//====================================================================================================================
/**
//====================================================================================================================
/*
* Update the pure-species viscosities.
*/
void AqueousTransport::updateSpeciesViscosities() {
@ -600,9 +591,8 @@ namespace Cantera {
}
m_spvisc_ok = true;
}
//====================================================================================================================
/**
/*
* Update the temperature-dependent viscosity terms.
* Updates the array of pure species viscosities, and the
* weighting functions in the viscosity mixture rule.
@ -630,25 +620,20 @@ namespace Cantera {
}
m_viscwt_ok = true;
}
//====================================================================================================================
/**
//====================================================================================================================
/*
* This function returns a Transport data object for a given species.
*
*/
struct LiquidTransportData AqueousTransport::
getLiquidTransportData(int kSpecies)
struct LiquidTransportData AqueousTransport::getLiquidTransportData(int kSpecies)
{
struct LiquidTransportData td;
td.speciesName = m_thermo->speciesName(kSpecies);
/* NEEDS WORK
td.hydroradius = ???;
*/
return td;
}
//====================================================================================================================
//====================================================================================================================
/*
*
* Solve for the diffusional velocities in the Stefan-Maxwell equations
@ -659,15 +644,15 @@ namespace Cantera {
int VIM = 2;
m_B.resize(m_nsp, VIM);
//! grab a local copy of the molecular weights
// grab a local copy of the molecular weights
const vector_fp& M = m_thermo->molecularWeights();
//! get the mean molecular weight of the mixture
// get the mean molecular weight of the mixture
//double M_mix = m_thermo->meanMolecularWeight();
//! get the concentration of the mixture
// get the concentration of the mixture
//double rho = m_thermo->density();
//double c = rho/M_mix;
@ -779,6 +764,7 @@ namespace Cantera {
}
}
}
//====================================================================================================================
}
//======================================================================================================================

40
Cantera/src/transport/AqueousTransport.h
View file

@ -135,9 +135,9 @@ namespace Cantera {
virtual ~AqueousTransport() {}
//! Return the model id for this transport parameterization
virtual int model() const { return cAqueousTransport; }
//! overloaded base class methods
virtual int model() const {
return cAqueousTransport;
}
//! Returns the viscosity of the solution
/*!
@ -162,11 +162,30 @@ namespace Cantera {
/*!
*
* Controlling update boolean = m_viscwt_ok
*
* @param visc Vector of species viscosities
*/
virtual void getSpeciesViscosities(doublereal* visc)
{ updateViscosity_T(); copy(m_visc.begin(), m_visc.end(), visc); }
virtual void getSpeciesViscosities(doublereal * const visc);
virtual void getThermalDiffCoeffs(doublereal* const dt);
//! Return a vector of Thermal diffusion coefficients [kg/m/sec].
/*!
* The thermal diffusion coefficient \f$ D^T_k \f$ is defined
* so that the diffusive mass flux of species <I>k</I> induced by the
* local temperature gradient is given by the following formula
*
* \f[
* M_k J_k = -D^T_k \nabla \ln T.
* \f]
*
* The thermal diffusion coefficient can be either positive or negative.
*
* In this method we set it to zero.
*
* @param dt On return, dt will contain the species thermal
* diffusion coefficients. Dimension dt at least as large as
* the number of species. Units are kg/m/s.
*/
virtual void getThermalDiffCoeffs(doublereal* const dt);
//! Return the thermal conductivity of the solution
/*!
@ -242,7 +261,7 @@ namespace Cantera {
//! Specify the value of the gradient of the temperature
/*!
*
* @param grad_V Gradient of the temperature (length num dimensions);
* @param grad_T Gradient of the temperature (length num dimensions);
*/
virtual void set_Grad_T(const doublereal* const grad_T);
@ -379,9 +398,6 @@ namespace Cantera {
*/
vector_fp m_mw;
// polynomial fits
vector<vector<int> > m_poly;
//! Polynomial coefficients of the viscosity
/*!
* These express the temperature dependendence of the pures
@ -597,11 +613,9 @@ namespace Cantera {
//! Saved value of the mixture viscosity
doublereal m_viscmix;
// work space
//! work space of size m_nsp
vector_fp m_spwork;
//! Internal Function
//! Update the temperature-dependent viscosity terms.
//! Updates the array of pure species viscosities, and the
//! weighting functions in the viscosity mixture rule.

14
Cantera/src/transport/TransportBase.h
View file

@ -683,14 +683,18 @@ namespace Cantera {
//! Return a vector of Thermal diffusion coefficients [kg/m/sec].
/*!
* The thermal diffusion coefficient \f$ D^T_k \f$ is defined
* so that the diffusive mass flux of species k induced by the
* local temperature gradient is \f[ M_k J_k = -D^T_k \nabla
* \ln T. \f]. The thermal diffusion coefficient can be either
* positive or negative.
* so that the diffusive mass flux of species <I>k</I> induced by the
* local temperature gradient is given by the following formula
*
* \f[
* M_k J_k = -D^T_k \nabla \ln T.
* \f]
*
* The thermal diffusion coefficient can be either positive or negative.
*
* @param dt On return, dt will contain the species thermal
* diffusion coefficients. Dimension dt at least as large as
* the number of species.
* the number of species. Units are kg/m/s.
*/
virtual void getThermalDiffCoeffs(doublereal* const dt) {
err("getThermalDiffCoeffs");