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Clean up Doxygen docs for LiquidTranInteraction and descendants

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This commit is contained in:
Ray Speth 2013-06-03 22:16:52 +00:00
parent 6a1ebcd9d7
commit 0fc6861892
2 changed files with 32 additions and 149 deletions
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121
include/cantera/transport/LiquidTranInteraction.h
View file

@ -69,9 +69,7 @@ namespace Cantera
* </hydrodynamicRadius>
* </transport>
* \endverbatim
*
*/
enum LiquidTranMixingModel {
LTI_MODEL_NOTSET=-1,
LTI_MODEL_NONE,
@ -85,7 +83,6 @@ enum LiquidTranMixingModel {
LTI_MODEL_MOLEFRACS_EXPT
};
//! Base class to handle transport property evaluation in a mixture.
/*!
* In a mixture, the mixture transport properties will generally depend on
@ -100,35 +97,27 @@ enum LiquidTranMixingModel {
* obtained through some mixing rule. These are obtained using the
* method getMixTransProp(). Viscosity is typical of this.
* Second there are properties for which a matrix of properties may
* @param tp_ind
* exist. This matrix of properties is obtained from the method
* getMatrixTransProp(). Diffusion coefficients are of this type.
* Subclasses should implement the appropriate one or both of
* these methods.
*
*/
class LiquidTranInteraction
{
public:
//! Constructor
/**
* @param tp_ind Index indicating transport property type (i.e. viscosity)
* @param tp_ind Index indicating transport property type (i.e. viscosity)
*/
LiquidTranInteraction(TransportPropertyType tp_ind = TP_UNKNOWN);
//! Copy constructor
LiquidTranInteraction(const LiquidTranInteraction& right);
//! Assignment operator
LiquidTranInteraction& operator=(const LiquidTranInteraction& right);
//! destructor
virtual ~LiquidTranInteraction();
//! initialize LiquidTranInteraction objects with thermo and XML node
/**
* @param compModelNode \verbatim <compositionDependence> \endverbatim XML node
* @param compModelNode `<compositionDependence>` XML node
* @param thermo Pointer to thermo object
*/
virtual void init(const XML_Node& compModelNode = 0,
@ -191,7 +180,6 @@ protected:
class LTI_Solvent : public LiquidTranInteraction
{
public:
LTI_Solvent(TransportPropertyType tp_ind = TP_UNKNOWN);
@ -203,9 +191,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point).
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point).
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -216,16 +203,12 @@ public:
* and calculates them: Not implemented for this mixing rule.
*/
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0);
protected:
};
//! Simple mole fraction weighting of transport properties
/**
* This model weights the transport property by the mole
* fractions.
* The overall formula for the mixture viscosity is
* This model weights the transport property by the mole fractions. The
* overall formula for the mixture viscosity is
*
* \f[
* \eta_{mix} = \sum_i X_i \eta_i + \sum_i \sum_j X_i X_j A_{i,j}
@ -233,14 +216,12 @@ protected:
*/
class LTI_MoleFracs : public LiquidTranInteraction
{
public:
LTI_MoleFracs(TransportPropertyType tp_ind = TP_UNKNOWN) :
LiquidTranInteraction(tp_ind) {
m_model = LTI_MODEL_MOLEFRACS;
}
//! Copy constructor
// LTI_MoleFracs( const LTI_MoleFracs &right );
@ -249,9 +230,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point.
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point.
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -264,17 +244,12 @@ public:
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0) {
mat = (*m_Aij[0]);
}
protected:
};
//! Simple mass fraction weighting of transport properties
/*!
* This model weights the transport property by the mass
* fractions.
* The overall formula for the mixture viscosity is
* This model weights the transport property by the mass fractions. The
* overall formula for the mixture viscosity is
*
* \f[
* \eta_{mix} = \sum_i Y_i \eta_i
@ -283,15 +258,12 @@ protected:
*/
class LTI_MassFracs : public LiquidTranInteraction
{
public:
LTI_MassFracs(TransportPropertyType tp_ind = TP_UNKNOWN) :
LiquidTranInteraction(tp_ind) {
m_model = LTI_MODEL_MASSFRACS;
}
//! Copy constructor
// LTI_MassFracs( const LTI_MassFracs &right );
@ -300,9 +272,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point.
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point.
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -315,19 +286,14 @@ public:
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0) {
mat = (*m_Aij[0]);
}
protected:
};
//! Mixing rule using logarithms of the mole fractions
/**
* This model is based on the idea that liquid molecules are
* generally interacting with some energy and entropy of interaction.
* For transport properties that depend on these energies of
* interaction, the mixture transport property can be written
* in terms of its logarithm
* This model is based on the idea that liquid molecules are generally
* interacting with some energy and entropy of interaction. For transport
* properties that depend on these energies of interaction, the mixture
* transport property can be written in terms of its logarithm
*
* \f[ \ln \eta_{mix} = \sum_i X_i \ln \eta_i
* + \sum_i \sum_j X_i X_j ( S_{i,j} + E_{i,j} / T )
@ -363,14 +329,12 @@ protected:
*/
class LTI_Log_MoleFracs : public LiquidTranInteraction
{
public:
LTI_Log_MoleFracs(TransportPropertyType tp_ind = TP_UNKNOWN) :
LiquidTranInteraction(tp_ind) {
m_model = LTI_MODEL_LOG_MOLEFRACS;
}
//! Copy constructor
// LTI_Log_MoleFracs( const LTI_Log_MoleFracs &right );
@ -379,9 +343,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point.
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point.
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -394,19 +357,14 @@ public:
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0) {
mat = m_Eij;
}
protected:
};
//! Transport properties that act like pairwise interactions
//! as in binary diffusion coefficients.
/**
* This class holds parameters for transport properties expressed
* as a matrix of pairwise interaction parameters.
* Input can be provided for constant or Arrhenius forms of the
* separate parameters.
* This class holds parameters for transport properties expressed as a matrix
* of pairwise interaction parameters. Input can be provided for constant or
* Arrhenius forms of the separate parameters.
*
* Sample input for this method is
* \verbatim
@ -421,18 +379,15 @@ protected:
* </speciesDiffusivity>
* </transport>
* \endverbatim
*
*/
class LTI_Pairwise_Interaction : public LiquidTranInteraction
{
public:
LTI_Pairwise_Interaction(TransportPropertyType tp_ind = TP_UNKNOWN) :
LiquidTranInteraction(tp_ind) {
m_model = LTI_MODEL_PAIRWISE_INTERACTION;
}
//! Copy constructor
// LTI_Pairwise_Interaction( const LTI_Pairwise_Interaction &right );
@ -443,9 +398,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point.
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point.
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -530,7 +484,6 @@ protected:
* </speciesDiffusivity>
* </transport>
* \endverbatim
*
*/
class LTI_StefanMaxwell_PPN : public LiquidTranInteraction
{
@ -541,7 +494,6 @@ public:
m_model = LTI_MODEL_STEFANMAXWELL_PPN;
}
//! Copy constructor
// LTI_StefanMaxwell_PPN( const LTI_StefanMaxwell_PPN &right );
@ -552,9 +504,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point.
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point.
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -567,7 +518,6 @@ public:
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0) ;
protected:
doublereal m_ionCondMix;
LiquidTranInteraction* m_ionCondMixModel;
std::vector<LTPspecies*> m_ionCondSpecies;
@ -584,14 +534,12 @@ protected:
class LTI_StokesEinstein : public LiquidTranInteraction
{
public:
LTI_StokesEinstein(TransportPropertyType tp_ind = TP_UNKNOWN) :
LiquidTranInteraction(tp_ind) {
m_model = LTI_MODEL_STOKES_EINSTEIN;
}
//! Copy constructor
// LTI_StokesEinstein( const LTI_StokesEinstein &right );
@ -615,32 +563,28 @@ public:
* and calculates them
*/
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0) ;
protected:
protected:
std::vector<LTPspecies*> m_viscosity;
std::vector<LTPspecies*> m_hydroRadius;
};
//! Simple mole fraction weighting of transport properties
/**
* This model weights the transport property by the mole
* fractions.
* The overall formula for the mixture viscosity is
* This model weights the transport property by the mole fractions. The
* overall formula for the mixture viscosity is
*
* \f[ \eta_{mix} = \sum_i X_i \eta_i
* + \sum_i \sum_j X_i X_j A_{i,j} \f].
*/
class LTI_MoleFracs_ExpT : public LiquidTranInteraction
{
public:
LTI_MoleFracs_ExpT(TransportPropertyType tp_ind = TP_UNKNOWN) :
LiquidTranInteraction(tp_ind) {
m_model = LTI_MODEL_MOLEFRACS_EXPT;
}
//! Copy constructor
// LTI_MoleFracs_ExpT( const LTI_MoleFracs_ExpT &right );
@ -649,9 +593,8 @@ public:
//! Return the mixture transport property value.
/**
* Takes the separate species transport properties
* as input (this method does not know what
* transport property it is at this point.
* Takes the separate species transport properties as input (this method
* does not know what transport property it is at this point.
*/
doublereal getMixTransProp(doublereal* valueSpecies, doublereal* weightSpecies = 0);
doublereal getMixTransProp(std::vector<LTPspecies*> LTPptrs) ;
@ -664,10 +607,6 @@ public:
void getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues = 0) {
mat = (*m_Aij[0]);
}
//CAL void getMatrixTransProp( DenseMatrix &mat, LiquidTransport* lt, doublereal* speciesValues = 0 ) { mat = (*m_Aij[0]); }
protected:
};
}

60
src/transport/LiquidTranInteraction.cpp
View file

@ -42,11 +42,6 @@ public:
+ msg + "\n") {}
};
// Constructor
/*
* @param tp_ind Index indicating transport property type (i.e. viscosity)
*/
LiquidTranInteraction::LiquidTranInteraction(TransportPropertyType tp_ind) :
m_model(LTI_MODEL_NOTSET),
m_property(tp_ind)
@ -73,12 +68,9 @@ LiquidTranInteraction::~LiquidTranInteraction()
}
}
//====================================================================================================================
void LiquidTranInteraction::init(const XML_Node& compModelNode,
thermo_t* thermo)
{
m_thermo = thermo;
size_t nsp = thermo->nSpecies();
@ -209,13 +201,11 @@ void LiquidTranInteraction::init(const XML_Node& compModelNode,
}
}
// Copy constructor
LiquidTranInteraction::LiquidTranInteraction(const LiquidTranInteraction& right)
{
*this = right; //use assignment operator to do other work
}
// Assignment operator
LiquidTranInteraction& LiquidTranInteraction::operator=(const LiquidTranInteraction& right)
{
if (&right != this) {
@ -233,18 +223,14 @@ LiquidTranInteraction& LiquidTranInteraction::operator=(const LiquidTranInteract
return *this;
}
//====================================================================================================================
LTI_Solvent::LTI_Solvent(TransportPropertyType tp_ind) :
LiquidTranInteraction(tp_ind)
{
m_model = LTI_MODEL_SOLVENT;
}
//====================================================================================================================
doublereal LTI_Solvent::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -289,10 +275,9 @@ doublereal LTI_Solvent::getMixTransProp(doublereal* speciesValues, doublereal* s
return value;
}
//====================================================================================================================
doublereal LTI_Solvent::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -320,17 +305,14 @@ doublereal LTI_Solvent::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
return value;
}
//====================================================================================================================
void LTI_Solvent::getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues)
{
mat = (*m_Aij[0]);
}
//====================================================================================================================
doublereal LTI_MoleFracs::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -362,10 +344,8 @@ doublereal LTI_MoleFracs::getMixTransProp(doublereal* speciesValues, doublereal*
return value;
}
doublereal LTI_MoleFracs::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -391,10 +371,8 @@ doublereal LTI_MoleFracs::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
return value;
}
doublereal LTI_MassFracs::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp massfracs(nsp);
@ -426,10 +404,8 @@ doublereal LTI_MassFracs::getMixTransProp(doublereal* speciesValues, doublereal*
return value;
}
doublereal LTI_MassFracs::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp massfracs(nsp);
@ -456,12 +432,8 @@ doublereal LTI_MassFracs::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
return value;
}
doublereal LTI_Log_MoleFracs::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -497,10 +469,8 @@ doublereal LTI_Log_MoleFracs::getMixTransProp(doublereal* speciesValues, doubler
return exp(value);
}
doublereal LTI_Log_MoleFracs::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -538,10 +508,6 @@ doublereal LTI_Log_MoleFracs::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
return value;
}
void LTI_Pairwise_Interaction::setParameters(LiquidTransportParams& trParam)
{
size_t nsp = m_thermo->nSpecies();
@ -557,7 +523,6 @@ void LTI_Pairwise_Interaction::setParameters(LiquidTransportParams& trParam)
doublereal LTI_Pairwise_Interaction::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
vector_fp molefracs(nsp);
m_thermo->getMoleFractions(&molefracs[0]);
@ -569,10 +534,8 @@ doublereal LTI_Pairwise_Interaction::getMixTransProp(doublereal* speciesValues,
return value;
}
doublereal LTI_Pairwise_Interaction::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
vector_fp molefracs(nsp);
m_thermo->getMoleFractions(&molefracs[0]);
@ -586,7 +549,6 @@ doublereal LTI_Pairwise_Interaction::getMixTransProp(std::vector<LTPspecies*> LT
void LTI_Pairwise_Interaction::getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -604,7 +566,6 @@ void LTI_Pairwise_Interaction::getMatrixTransProp(DenseMatrix& mat, doublereal*
}
}
void LTI_StefanMaxwell_PPN::setParameters(LiquidTransportParams& trParam)
{
size_t nsp = m_thermo->nSpecies();
@ -650,7 +611,6 @@ void LTI_StefanMaxwell_PPN::setParameters(LiquidTransportParams& trParam)
doublereal LTI_StefanMaxwell_PPN::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
vector_fp molefracs(nsp);
m_thermo->getMoleFractions(&molefracs[0]);
@ -662,10 +622,8 @@ doublereal LTI_StefanMaxwell_PPN::getMixTransProp(doublereal* speciesValues, dou
return value;
}
doublereal LTI_StefanMaxwell_PPN::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
vector_fp molefracs(nsp);
m_thermo->getMoleFractions(&molefracs[0]);
@ -679,8 +637,6 @@ doublereal LTI_StefanMaxwell_PPN::getMixTransProp(std::vector<LTPspecies*> LTPpt
void LTI_StefanMaxwell_PPN::getMatrixTransProp(DenseMatrix& mat, doublereal* speciesValues)
{
//CAL
IonsFromNeutralVPSSTP* ions_thermo = dynamic_cast<IonsFromNeutralVPSSTP*>(m_thermo);
size_t nsp = m_thermo->nSpecies();
if (nsp != 3) {
@ -755,13 +711,10 @@ void LTI_StefanMaxwell_PPN::getMatrixTransProp(DenseMatrix& mat, doublereal* spe
mat(cation[0],cation[1]) = mat(cation[1],cation[0]) = (1+vM/vP)*(1+eps*xB)*(1-eps*xA)*inv_vP_vM_MutualDiff-zP*zP*Faraday*Faraday/GasConstant/temp/m_ionCondMix/vol;
mat(cation[0],anion[0]) = mat(anion[0],cation[0]) = (1+vP/vM)*(-eps*xB*(1-eps*xA)*inv_vP_vM_MutualDiff)-zP*zM*Faraday*Faraday/GasConstant/temp/m_ionCondMix/vol;
mat(cation[1],anion[0]) = mat(anion[0],cation[1]) = (1+vP/vM)*(eps*xA*(1+eps*xB)*inv_vP_vM_MutualDiff)-zP*zM*Faraday*Faraday/GasConstant/temp/m_ionCondMix/vol;
}
doublereal LTI_StokesEinstein::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
vector_fp molefracs(nsp);
m_thermo->getMoleFractions(&molefracs[0]);
@ -773,10 +726,8 @@ doublereal LTI_StokesEinstein::getMixTransProp(doublereal* speciesValues, double
return value;
}
doublereal LTI_StokesEinstein::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
vector_fp molefracs(nsp);
m_thermo->getMoleFractions(&molefracs[0]);
@ -788,8 +739,6 @@ doublereal LTI_StokesEinstein::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
return value;
}
void LTI_StokesEinstein::setParameters(LiquidTransportParams& trParam)
{
size_t nsp = m_thermo->nSpecies();
@ -824,7 +773,6 @@ void LTI_StokesEinstein::getMatrixTransProp(DenseMatrix& mat, doublereal* specie
doublereal LTI_MoleFracs_ExpT::getMixTransProp(doublereal* speciesValues, doublereal* speciesWeight)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -853,10 +801,8 @@ doublereal LTI_MoleFracs_ExpT::getMixTransProp(doublereal* speciesValues, double
return value;
}
doublereal LTI_MoleFracs_ExpT::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
{
size_t nsp = m_thermo->nSpecies();
doublereal temp = m_thermo->temperature();
vector_fp molefracs(nsp);
@ -879,6 +825,4 @@ doublereal LTI_MoleFracs_ExpT::getMixTransProp(std::vector<LTPspecies*> LTPptrs)
return value;
}
} //namespace Cantera