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Updating Doxygen comments

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This commit is contained in:
John Hewson 2009-12-17 19:07:53 +00:00
parent 9782ac76e8
commit d38eea717a
4 changed files with 123 additions and 109 deletions
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36
Cantera/src/transport/LiquidTransport.cpp
View file

@ -169,7 +169,7 @@ namespace Cantera {
if ( m_viscMixModel ) delete m_viscMixModel;
if ( m_lambdaMixModel ) delete m_lambdaMixModel;
if ( m_diffMixModel ) delete m_diffMixModel;
if ( m_radiusMixModel ) delete m_radiusMixModel;
//if ( m_radiusMixModel ) delete m_radiusMixModel;
}
@ -265,7 +265,7 @@ namespace Cantera {
*/
m_viscMixModel = tr.viscosity;
m_lambdaMixModel = tr.thermalCond;
m_radiusMixModel = tr.hydroRadius;
//m_radiusMixModel = tr.hydroRadius;
m_diffMixModel = tr.speciesDiffusivity;
m_bdiff.resize(m_nsp,m_nsp);
//Don't really need to update this here.
@ -939,14 +939,14 @@ namespace Cantera {
stefan_maxwell_solve();
for (n = 0; n < m_nDim; n++) {
for (k = 0; k < m_nsp; k++) {
for ( int n = 0; n < m_nDim; n++) {
for (int k = 0; k < m_nsp; k++) {
if ( m_Grad_X[n*m_nsp + k] != 0.0 ) {
d[n*ldf + k] = - m_Vdiff(k,n) * m_molefracs[k]
d[n*m_nsp + k] = - m_Vdiff(k,n) * m_molefracs[k]
/ m_Grad_X[n*m_nsp + k];
} else {
//avoid divide by zero with nonsensical response
d[n*ldf + k] = - 1.0;
d[n*m_nsp + k] = - 1.0;
}
}
}
@ -1063,7 +1063,8 @@ namespace Cantera {
/**
* Update the temperature-dependent parts of the species
* thermal conductivity.
* thermal conductivity internally using calls to the
* appropriate LTPspecies subclass.
*/
void LiquidTransport::updateCond_T() {
@ -1077,11 +1078,8 @@ namespace Cantera {
}
//! Update the StefanMaxwell interaction parameters.
/**
* These are evaluated using the Stokes-Einstein
* relation from the viscosity and hydrodynamic radius.
*/
//! Update the binary Stefan-Maxwell diffusion coefficients
//! wrt T using calls to the appropriate LTPspecies subclass
void LiquidTransport::updateDiff_T() {
m_bdiff = m_diffMixModel->getMatrixTransProp();
@ -1097,9 +1095,8 @@ namespace Cantera {
/**
* Update the temperature-dependent viscosity terms.
* Updates the array of pure species viscosities, and the
* weighting functions in the viscosity mixture rule.
* Updates the array of pure species viscosities internally
* using calls to the appropriate LTPspecies subclass.
* The flag m_visc_ok is set to true.
*
* Note that for viscosity, a positive activation energy
@ -1127,12 +1124,9 @@ namespace Cantera {
}
/**
* Update the temperature-dependent hydrodynamic radius terms.
* Updates the array of pure species viscosities, and the
* weighting functions in the viscosity mixture rule.
* The flag m_visc_ok is set to true.
*/
//! Update the temperature-dependent hydrodynamic radius terms
//! for each species internally using calls to the
//! appropriate LTPspecies subclass
void LiquidTransport::updateHydrodynamicRadius_T() {
int k;

155
Cantera/src/transport/LiquidTransport.h
View file

@ -698,23 +698,29 @@ namespace Cantera {
*/
void stefan_maxwell_solve();
//! Update the temperature-dependent viscosity terms.
//! Updates the array of pure species viscosities, and the
//! weighting functions in the viscosity mixture rule.
//! Updates the array of pure species viscosities internally.
/*!
* The flag m_visc_ok is set to true.
*
* Note that for viscosity, a positive activation energy
* corresponds to the typical case of a positive argument
* to the exponential so that the Arrhenius expression is
*
* \f[
* \mu = A T^n \exp( + E / R T )
* \f]
*/
void updateViscosity_T();
//! Update the temperature-dependent hydrodynamic radius terms
//! for each species
//! for each species internally
/*!
* The flag m_radi_temp_ok is set to true.
*/
void updateHydrodynamicRadius_T();
//! Update the temperature-dependent parts of the mixture-averaged
//! thermal conductivity.
//! thermal conductivity internally
void updateCond_T();
//! Update the concentration parts of the viscosities
@ -737,11 +743,8 @@ namespace Cantera {
*/
void updateHydrodynamicRadius_C();
//! Update the binary diffusion coefficients wrt T.
/*!
* These are evaluated
* from the polynomial fits at unit pressure (1 Pa).
*/
//! Update the binary Stefan-Maxwell diffusion coefficients
//! wrt T using calls to the appropriate LTPspecies subclass
void updateDiff_T();
@ -762,54 +765,64 @@ namespace Cantera {
*/
vector_fp m_mw;
//! Viscosity temperature dependence type
//! Viscosity for each species expressed as an appropriate subclass
//! of LTPspecies
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature (only one implemented so far)
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
* These subclasses of LTPspecies evaluate the species-specific
* transport properties according to the parameters parsed in
* TransportFactory::getLiquidSpeciesTransportData().
*/
std::vector<LTPspecies*> m_viscTempDep_Ns;
//! Viscosity mixing model type
//! Viscosity of the mixture expressed as a subclass of
//! LiquidTranInteraction
/*!
* Types of mixing models supported:
* 2 - Mole fraction weighting of species viscosities
* 3 - Mass fraction weighting of species viscosities
* 4 - Mole fraction weighting of logarithms of species viscosities
* These subclasses of LiquidTranInteraction evaluate the
* mixture transport properties according to the parameters parsed in
* TransportFactory::getLiquidInteractionsTransportData().
*/
LiquidTranInteraction *m_viscMixModel;
//! Thermal conductivity temperature dependence type
//! Thermal conductivity for each species expressed as an
//! appropriate subclass of LTPspecies
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature (only one implemented so far)
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
* These subclasses of LTPspecies evaluate the species-specific
* transport properties according to the parameters parsed in
* TransportFactory::getLiquidSpeciesTransportData().
*/
std::vector<LTPspecies*> m_lambdaTempDep_Ns;
//! Thermal conductivity mixing model type
//! Thermal conductivity of the mixture expressed as a subclass of
//! LiquidTranInteraction
/*!
* Types of mixing models supported:
* 2 - Mole fraction weighting of species viscosities
* 3 - Mass fraction weighting of species viscosities
* These subclasses of LiquidTranInteraction evaluate the
* mixture transport properties according to the parameters parsed in
* TransportFactory::getLiquidInteractionsTransportData().
*/
LiquidTranInteraction *m_lambdaMixModel;
//! Diffusion coefficient temperature dependence type
//! (NOT USED IN LiquidTransport.)
//! Diffusion coefficient model for each species expressed as an
//! appropriate subclass of LTPspecies
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature (only one implemented so far)
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
* These subclasses of LTPspecies evaluate the species-specific
* transport properties according to the parameters parsed in
* TransportFactory::getLiquidSpeciesTransportData().
*
* Since the LiquidTransport class uses the Stefan-Maxwell equation
* to describe species diffusivity, the species-specific
* diffusivity is irrelevant.
*/
std::vector<LTPspecies*> m_diffTempDep_Ns;
//! Species diffusivity mixing model type
//! Species diffusivity of the mixture expressed as a subclass of
//! LiquidTranInteraction. This will return an array of
//! Stefan-Maxwell interaction parameters for use in the
//! Stefan-Maxwell solution.
/*!
* Types of mixing models supported:
* 5 - Pairwise interactions -- Setfan-Maxwell diffusion coefficients
* These subclasses of LiquidTranInteraction evaluate the
* mixture transport properties according to the parameters parsed in
* TransportFactory::getLiquidInteractionsTransportData().
*/
LiquidTranInteraction *m_diffMixModel;
@ -817,37 +830,29 @@ namespace Cantera {
DenseMatrix m_diff_Dij;
std::vector<bool> useHydroRadius_;
//!Hydrodynamic radius temperature dependence type
//!Hydrodynamic radius for each species expressed as an
//! appropriate subclass of LTPspecies
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
* These subclasses of LTPspecies evaluate the species-specific
* transport properties according to the parameters parsed in
* TransportFactory::getLiquidSpeciesTransportData().
*/
std::vector<LTPspecies*> m_radiusTempDep_Ns;
//! (Not used in LiquidTransport)
//! Hydrodynamic radius of the mixture expressed as a subclass of
//! LiquidTranInteraction
/*!
* These subclasses of LiquidTranInteraction evaluate the
* mixture transport properties according to the parameters parsed in
* TransportFactory::getLiquidInteractionsTransportData().
*/
LiquidTranInteraction *m_radiusMixModel;
//! Species hydrodynamic radius
vector_fp m_hydrodynamic_radius;
//! Hydrodynamic radius mixing model type
/*!
* Types of mixing models supported:
* 0 - No mixing model allowed
*/
LiquidTranInteraction *m_radiusMixModel;
//! Polynomial coefficients of the binary diffusion coefficients
/*!
* These express the temperature dependendence of the
* binary diffusivities. An overall pressure dependence is then
* added.
*/
/*
std::vector<vector_fp> m_diffcoeffs;
*/
//! Hydrodynamic radius
//! Internal value of the gradient of the mole fraction vector
@ -874,10 +879,10 @@ namespace Cantera {
* It multiplies the gradient of the mole fraction, and in this way
* serves to "modify" the diffusion coefficient.
*
* m_Grad_X[k] = 1 + \partial \left[ \ln ( \gamma_i ) \right]
* m_Grad_lnAC[k] = \partial \left[ \ln ( \gamma_i ) \right]
* / \partial \left[ \ln ( \X_i ) \right]
*
* Note that where "molefraction is used here, whatever
* Note that where "mole fraction" is used here, whatever
* concentration-related variable applies, so that if
* molality is the concentration variable, the gradient of the
* activity coefficient should be with respect to the molality.
@ -937,8 +942,8 @@ namespace Cantera {
//! Array of Binary Diffusivities
/*!
* Depends on the temperature. We have set the pressure dependence
* to zero for this liquid phase constituitve model
* These are evaluated according to the subclass of
* LiquidTranInteraction stored in m_diffMixModel.
*
* This has a size equal to nsp x nsp
* It is a symmetric matrix.
@ -949,13 +954,12 @@ namespace Cantera {
*/
DenseMatrix m_bdiff;
//! Species viscosities and their logarithm
//! Internal value of the species viscosities
/*!
* Viscosity of the species and its logarithm
* Length = number of species
* Viscosity of the species evaluated using subclass of LTPspecies
* held in m_viscTempDep_Ns.
*
* Depends on the temperature. We have set the pressure dependence
* to zero for this liquid phase constituitve model
* Length = number of species
*
* controlling update boolean -> m_visc_temp_ok
*/
@ -963,12 +967,11 @@ namespace Cantera {
//! Internal value of the species individual thermal conductivities
/*!
* Then a mixture rule is applied to get the solution conductivities
* Thermal conductivities of the species evaluated using subclass
* of LTPspecies held in m_lambdaTempDep_Ns.
*
* Depends on the temperature and perhaps pressure, but
* not the species concentrations
* Length = number of species
*
* controlling update boolean -> m_cond_temp_ok
*/
vector_fp m_lambdaSpecies;
@ -1014,8 +1017,6 @@ namespace Cantera {
*/
vector_fp m_molefracs_tran;
vector_fp Xdelta_;
//! Local copy of the concentrations of the species in the phase
/*!
* The concentrations are consistent with the m_molefracs
@ -1073,7 +1074,7 @@ namespace Cantera {
//! Current value of the pressure
doublereal m_press;
//! Solution of the flux system
//! Solution of the Stefan Maxwell equation in terms of flux
/*!
* This is the mass flux of species k
* in units of kg m-3 s-1.

35
Cantera/src/transport/LiquidTransportData.h
View file

@ -29,6 +29,19 @@
namespace Cantera {
/**
* Enumeration of the types of transport properties that can be
* handled by the variables in the various Transport classes.
* Not all of these are handled by each class and each class
* should handle exceptions where the transport property is not handled.
*
* Tranport properties currently on the list
* 0 - viscosity
* 1 - thermal conductivity
* 2 - species diffusivity
* 3 - hydrodynamic radius
* 4 - thermal conductivity
*/
enum TransportPropertyList {
TP_UNKNOWN = -1,
TP_VISCOSITY = 0,
@ -38,14 +51,14 @@ namespace Cantera {
TP_ELECTCOND
};
//! Temperature dependence type for pure (liquid) species properties
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
*/
enum LiquidTR_Model {
//! Temperature dependence type for pure (liquid) species properties
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature (only one implemented so far)
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
*/
LTR_MODEL_NOTSET=-1,
LTR_MODEL_CONSTANT,
LTR_MODEL_ARRHENIUS,
@ -72,7 +85,7 @@ namespace Cantera {
/**
* The transport property is constructed from the
* XML node, propNode, that is a child of the
* <transport> node and specifies a type of
* \verbatim <transport> \endverbatim node and specifies a type of
* transport property (like viscosity).
*/
LTPspecies( const XML_Node &propNode = 0,
@ -150,7 +163,11 @@ namespace Cantera {
//! Class LiquidTransportData holds transport parameters for a
//! specific liquid-phase species.
//! specific liquid-phase species.
/**
* This class is mainly used to collect transport properties
* from the parse phase and transfer them to the Transport class.
*/
class LiquidTransportData {
public:

6
Cantera/src/transport/LiquidTransportParams.h
View file

@ -42,7 +42,8 @@ namespace Cantera {
* 3 - Properties weighted linearly by mass fractions
* 4 - Properties weighted logarithmically by mole fractions (interaction energy weighting)
* 5 - Interactions given pairwise between each possible species (i.e. D_ij)
*
*
* \verbatim
* <transport model="Liquid">
* <viscosity>
* <compositionDependence model="logMoleFractions">
@ -80,6 +81,7 @@ namespace Cantera {
* <compositionDependence model="none"/>
* </hydrodynamicRadius>
* </transport>
* \endverbatim
*
*/
enum LiquidTranMixingModel {
@ -114,7 +116,7 @@ namespace Cantera {
//! initialize LiquidTranInteraction objects with thermo and XML node
/**
* @param compModelNode <compositionDependence> XML node
* @param compModelNode \verbatim <compositionDependence> \endverbatim XML node
* @param thermo Pointer to thermo object
*/
virtual void init( const XML_Node &compModelNode = 0,