Updating Doxygen comments
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John Hewson
parent
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commit
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3 changed files with 213 additions and 56 deletions
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@ -92,8 +92,9 @@ namespace Cantera {
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//! Construct an LTPspecies object for a liquid tranport property
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//! expressed as a constant value.
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/** The transport property is constructed from the XML node, propNode,
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* that is a child of the <transport> node and specifies a type of
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/** The transport property is constructed from the XML node,
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* \verbatim <propNode>, \endverbatim that is a child of the
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* \verbatim <transport> \endverbatim node and specifies a type of
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* transport property (like viscosity)
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*/
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LTPspecies_Const::LTPspecies_Const( const XML_Node &propNode,
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@ -139,9 +140,10 @@ namespace Cantera {
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///////////////////////////////////////////////////////////////
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//! Construct an LTPspecies object for a liquid tranport property
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//! expressed as a constant value.
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/** The transport property is constructed from the XML node, propNode,
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* that is a child of the <transport> node and specifies a type of
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//! expressed in extended Arrhenius form.
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/** The transport property is constructed from the XML node,
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* \verbatim <propNode>, \endverbatim that is a child of the
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* \verbatim <transport> \endverbatim node and specifies a type of
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* transport property (like viscosity)
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*/
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LTPspecies_Arrhenius::LTPspecies_Arrhenius( const XML_Node &propNode,
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@ -190,7 +192,7 @@ namespace Cantera {
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return *this;
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}
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//! Return the value for this transport property evaluated
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//! Return the pure species value for this transport property evaluated
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//! from the Arrhenius expression
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/**
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* In general the Arrhenius expression is
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@ -207,6 +209,9 @@ namespace Cantera {
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* \f[
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* \mu = A T^n \exp( + E / R T ).
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* \f]
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*
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* Any temperature and composition dependence will be
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* adjusted internally according to the information provided.
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*/
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doublereal LTPspecies_Arrhenius::getSpeciesTransProp( ) {
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@ -236,9 +241,10 @@ namespace Cantera {
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///////////////////////////////////////////////////////////////
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//! Construct an LTPspecies object for a liquid tranport property
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//! expressed as a constant value.
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/** The transport property is constructed from the XML node, propNode,
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* that is a child of the <transport> node and specifies a type of
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//! expressed as a polynomial in temperature.
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/** The transport property is constructed from the XML node,
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* \verbatim <propNode>, \endverbatim that is a child of the
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* \verbatim <transport> \endverbatim node and specifies a type of
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* transport property (like viscosity)
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*/
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LTPspecies_Poly::LTPspecies_Poly( const XML_Node &propNode,
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@ -70,23 +70,22 @@ namespace Cantera {
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//! specific liquid-phase species.
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/**
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* Subclasses handle different means of specifying transport properties
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* like constant, Arrhenius or polynomial fits. In its current state,
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* like constant, %Arrhenius or polynomial fits. In its current state,
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* it is primarily suitable for specifying temperature dependence, but
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* the adjustCoeffsForComposition() method can be implemented to
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* adjust for composition dependence.
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* Mixing rules for computing mixture transport properties are handled
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* separately in
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* separately in LiquidTranInteraction subclasses.
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*/
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class LTPspecies {
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public:
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//! Construct an LTPspecies object for a liquid tranport property.
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/**
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* The transport property is constructed from the
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* XML node, propNode, that is a child of the
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/** The transport property is constructed from the XML node,
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* \verbatim <propNode>, \endverbatim that is a child of the
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* \verbatim <transport> \endverbatim node and specifies a type of
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* transport property (like viscosity).
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* transport property (like viscosity)
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*/
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LTPspecies( const XML_Node &propNode = 0,
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std::string name = "-",
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@ -115,7 +114,7 @@ namespace Cantera {
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* The pure species transport property (i.e. pure species viscosity)
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* is returned. Any temperature and composition dependence will be
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* adjusted internally according to the information provided by the
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* thermo object.
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* subclass object.
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*/
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virtual doublereal getSpeciesTransProp( ) { return 0.0; }
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@ -165,8 +164,14 @@ namespace Cantera {
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//! Class LiquidTransportData holds transport parameters for a
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//! specific liquid-phase species.
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/**
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* A LiquidTransportData object is created for each species.
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*
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* This class is mainly used to collect transport properties
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* from the parse phase and transfer them to the Transport class.
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* from the parse phase in the TranportFactory and transfer
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* them to the Transport class. Transport properties are
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* expressed by subclasses of LTPspecies.
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* One may need to be careful about deleting pointers to LTPspecies
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* objects created in the TransportFactory.
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*/
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class LiquidTransportData {
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@ -176,12 +181,14 @@ namespace Cantera {
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speciesName("-")
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{
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}
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//! copy constructor
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//! Copy constructor
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LiquidTransportData( const LiquidTransportData &right ) ;
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//! Assignment operator
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LiquidTransportData& operator=(const LiquidTransportData& right );
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//! A LiquidTransportData object is instantiated for each species.
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//! This is the species name for which this object is instantiated.
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std::string speciesName;
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//! Model type for the hydroradius
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@ -206,6 +213,22 @@ namespace Cantera {
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//! Class LTPspecies_Const holds transport parameters for a
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//! specific liquid-phase species when the transport property
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//! is just a constant value.
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/**
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* As an example of the input required for LTPspecies_Const
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* consider the following XML fragment
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*
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* \verbatim
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* <species>
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* <!-- thermodynamic properties -->
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* <transport>
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* <hydrodynamicRadius model="Constant" units="A">
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* 1.000
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* </hydrodynamicRadius>
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* <!-- other tranport properties -->
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* </transport>
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* </species>
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* \endverbatim
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*/
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class LTPspecies_Const : public LTPspecies{
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public:
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@ -227,8 +250,7 @@ namespace Cantera {
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/*!
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* The pure species transport property (i.e. pure species viscosity)
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* is returned. Any temperature and composition dependence will be
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* adjusted internally according to the information provided by the
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* thermo object.
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* adjusted internally according to the information provided.
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*/
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doublereal getSpeciesTransProp( );
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@ -246,7 +268,26 @@ namespace Cantera {
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//! Class LTPspecies_Arrhenius holds transport parameters for a
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//! specific liquid-phase species when the transport property
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//! is just a constant value.
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//! is expressed in Arrhenius form.
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/**
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* As an example of the input required for LTPspecies_Arrhenius
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* consider the following XML fragment
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*
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* \verbatim
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* <species>
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* <!-- thermodynamic properties -->
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* <transport>
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* <viscosity model="Arrhenius">
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* <!-- Janz, JPCRD, 17, supplement 2, 1988 -->
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* <A>6.578e-5</A>
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* <b>0.0</b>
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* <E units="J/kmol">23788.e3</E>
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* </viscosity>
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* <!-- other tranport properties -->
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* </transport>
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* </species>
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* \endverbatim
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*/
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class LTPspecies_Arrhenius : public LTPspecies{
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public:
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@ -264,12 +305,26 @@ namespace Cantera {
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virtual ~LTPspecies_Arrhenius( ) { }
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//! Returns the pure species tranport property
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/*!
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* The pure species transport property (i.e. pure species viscosity)
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* is returned. Any temperature and composition dependence will be
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* adjusted internally according to the information provided by the
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* thermo object.
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//! Return the pure species value for this transport property evaluated
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//! from the Arrhenius expression
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/**
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* In general the Arrhenius expression is
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*
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* \f[
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* \mu = A T^n \exp( - E / R T ).
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* \f]
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*
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* Note that for viscosity, the convention is such that
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* a positive activation energy corresponds to the typical
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* case of a positive argument to the exponential so that
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* the Arrhenius expression is
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*
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* \f[
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* \mu = A T^n \exp( + E / R T ).
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* \f]
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*
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* Any temperature and composition dependence will be
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* adjusted internally according to the information provided.
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*/
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doublereal getSpeciesTransProp( );
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@ -299,7 +354,23 @@ namespace Cantera {
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//! Class LTPspecies_Poly holds transport parameters for a
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//! specific liquid-phase species when the transport property
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//! is just a constant value.
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//! is expressed as a polynomial in temperature.
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/**
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* As an example of the input required for LTPspecies_Poly
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* consider the following XML fragment
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*
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* \verbatim
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* <species>
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* <!-- thermodynamic properties -->
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* <transport>
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* <thermalConductivity model="coeffs">
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* <floatArray size="2"> 0.6, -15.0e-5 </floatArray>
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* </thermalConductivity>
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* <!-- other tranport properties -->
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* </transport>
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* </species>
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* \endverbatim
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*/
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class LTPspecies_Poly : public LTPspecies{
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public:
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@ -321,8 +392,7 @@ namespace Cantera {
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/*!
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* The pure species transport property (i.e. pure species viscosity)
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* is returned. Any temperature and composition dependence will be
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* adjusted internally according to the information provided by the
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* thermo object.
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* adjusted internally according to the information provided.
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*/
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doublereal getSpeciesTransProp( );
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@ -36,12 +36,12 @@ namespace Cantera {
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//! Composition dependence type for liquid mixture transport properties
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/*!
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* Types of temperature dependencies:
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* 0 - Mixture calculations with this property are not allowed
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* 1 - Use solvent (species 0) properties
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* 2 - Properties weighted linearly by mole fractions
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* 3 - Properties weighted linearly by mass fractions
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* 4 - Properties weighted logarithmically by mole fractions (interaction energy weighting)
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* 5 - Interactions given pairwise between each possible species (i.e. D_ij)
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* - 0 - Mixture calculations with this property are not allowed
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* - 1 - Use solvent (species 0) properties
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* - 2 - Properties weighted linearly by mole fractions
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* - 3 - Properties weighted linearly by mass fractions
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* - 4 - Properties weighted logarithmically by mole fractions (interaction energy weighting)
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* - 5 - Interactions given pairwise between each possible species (i.e. D_ij)
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*
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* \verbatim
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* <transport model="Liquid">
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@ -96,6 +96,26 @@ namespace Cantera {
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};
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//! Base class to handle transport property evaluation in a mixture.
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/**
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* In a mixture, the mixture transport properties will generally depend on
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* the contributions of each of the pure species transport properties.
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* Many composition dependencies are possible. This class,
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* LiquidTranInteraction, is designed to be a base class for the
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* implementation of various models for the mixing of pure species
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* transport properties.
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*
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* There are two very broad types of transport properties to consider.
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* First, there are properties for which a mixture value can be
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* obtained through some mixing rule. These are obtained using the
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* method getMixTransProp(). Viscosity is typical of this.
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* Second there are properties for which a matrix of properties may
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* exist. This matrix of properties is obtained from the method
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* getMatrixTransProp(). Diffusion coefficients are of this type.
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* Subclasses should implement the appropriate one or both of
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* these methods.
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*
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*/
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class LiquidTranInteraction {
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public:
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@ -192,25 +212,6 @@ namespace Cantera {
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//! Takes enum LiquidTranMixingModel
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LiquidTranMixingModel model_viscosity;
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//! Energies of molecular interaction associated with viscosity.
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/**
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* These multiply the mixture viscosity by
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* \f[ \exp( \sum_{i} \sum_{j} X_i X_j ( S_{i,j} + E_{i,j} / T ) ) \f].
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*
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* The overall formula for the logarithm of the mixture viscosity is
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*
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* \f[ \ln \eta_{mix} = \sum_i X_i \ln \eta_i
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* + \sum_i \sum_j X_i X_j ( S_{i,j} + E_{i,j} / T ) \f].
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*/
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DenseMatrix visc_Eij;
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//! Entropies of molecular interaction associated with viscosity.
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DenseMatrix visc_Sij;
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//! Model for species interaction effects for thermal conductivity
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//! Takes enum LiquidTranMixingModel
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LiquidTranMixingModel model_thermalCond;
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//! Interaction associated with linear weighting of
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//! thermal conductivity.
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/**
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@ -286,7 +287,15 @@ namespace Cantera {
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};
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//! Simple mole fraction weighting of transport properties
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/**
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* This model weights the transport property by the mole
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* fractions.
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* The overall formula for the mixture viscosity is
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*
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* \f[ \eta_{mix} = \sum_i X_i \eta_i
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* + \sum_i \sum_j X_i X_j A_{i,j} \f].
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*/
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class LTI_MoleFracs : public LiquidTranInteraction {
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public:
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@ -321,6 +330,15 @@ namespace Cantera {
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};
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//! Simple mass fraction weighting of transport properties
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/**
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* This model weights the transport property by the mass
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* fractions.
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* The overall formula for the mixture viscosity is
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*
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* \f[ \eta_{mix} = \sum_i Y_i \eta_i
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* + \sum_i \sum_j Y_i Y_j A_{i,j} \f].
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*/
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class LTI_MassFracs : public LiquidTranInteraction {
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public:
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@ -355,6 +373,46 @@ namespace Cantera {
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};
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//! Mixing rule using logarithms of the mole fractions
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/**
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* This model is based on the idea that liquid molecules are
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* generally interacting with some energy and entropy of interaction.
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* For transport properties that depend on these energies of
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* interaction, the mixture transport property can be written
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* in terms of its logarithm
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*
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* \f[ \ln \eta_{mix} = \sum_i X_i \ln \eta_i
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* + \sum_i \sum_j X_i X_j ( S_{i,j} + E_{i,j} / T )
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* \f].
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*
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* These additional interaction terms multiply the mixture property by
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* \f[ \exp( \sum_{i} \sum_{j} X_i X_j ( S_{i,j} + E_{i,j} / T ) ) \f]
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* so that the self-interaction terms \f$ S_{i,j} \f$ and
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* \f$ E_{i,j} \f$ should be zero.
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*
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* Note that the energies and entropies of interaction should be
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* a function of the composition themselves, but this is not yet
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* implemented. (We might follow the input of Margules model
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* thermodynamic data for the purpose of implementing this.)
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*
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* Sample input for this method is
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* \verbatim
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* <transport model="Liquid">
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* <viscosity>
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* <compositionDependence model="logMoleFractions">
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* <interaction speciesA="Li+" speciesB="K+">
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* <!--
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* interactions are from speciesA = LiCl(L)
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* and speciesB = KCl(L).
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* -->
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* <Eij units="J/kmol"> -1.0e3 </Eij>
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* <Sij units="J/kmol/K"> 80.0e-5 </Sij>
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* </interaction>
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* </compositionDependence>
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* </viscosity>
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* </transport>
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* \endverbatim
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*/
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class LTI_Log_MoleFracs : public LiquidTranInteraction {
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public:
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@ -389,6 +447,29 @@ namespace Cantera {
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};
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//! Transport properties that act like pairwise interactions
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//! as in binary diffusion coefficients.
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/**
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* This class holds parameters for transport properties expressed
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* as a matrix of pairwise interaction parameters.
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* Input can be provided for constant or Arrhenius forms of the
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* separate parameters.
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*
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* Sample input for this method is
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* \verbatim
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* <transport model="Liquid">
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* <speciesDiffusivity>
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* <compositionDependence model="pairwiseInteraction">
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* <interaction speciesA="LiCl(L)" speciesB="KCl(L)">
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* <Dij units="m/s"> 1.0e-8 </Dij>
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* <Eij units="J/kmol"> 24.0e6 </Eij>
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* </interaction>
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* </compositionDependence>
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* </speciesDiffusivity>
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* </transport>
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* \endverbatim
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*
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*/
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class LTI_Pairwise_Interaction : public LiquidTranInteraction {
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public:
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