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Worked on comments. Took out "Pure" and substituted standard state.

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This commit is contained in:
Harry Moffat 2014-04-19 01:33:27 +00:00
parent 96b01a6c79
commit 7b2563c5ae
4 changed files with 125 additions and 40 deletions
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146
include/cantera/transport/LTPspecies.h
View file

@ -43,7 +43,7 @@ enum TransportPropertyType {
TP_DEFECTDIFF
};
//! Temperature dependence type for pure (liquid) species properties
//! Temperature dependence type for standard state species properties
/*!
* Types of temperature dependencies:
* 0 - Independent of temperature
@ -59,16 +59,16 @@ enum LTPTemperatureDependenceType {
LTP_TD_EXPT
};
//! Class LTPspecies holds transport parameters for a specific liquid-phase species.
//! Class LTPspecies holds transport parameterizations for a specific liquid-phase species.
/*!
* Subclasses handle different means of specifying transport properties
* like constant, %Arrhenius or polynomial fits. In its current state,
* like constant, %Arrhenius or polynomial temperature fits. In its current state,
* it is primarily suitable for specifying temperature dependence, but
* the adjustCoeffsForComposition() method can be implemented to
* adjust for composition dependence.
* adjust for the composition dependence.
*
* Mixing rules for computing mixture transport properties are handled
* separately in LiquidTranInteraction subclasses.
* separately in the LiquidTranInteraction subclasses.
*/
class LTPspecies
{
@ -91,19 +91,34 @@ public:
LTPspecies(const XML_Node* const propNode = 0, const std::string name = "-",
TransportPropertyType tp_ind = TP_UNKNOWN, const thermo_t* thermo = 0);
//! Copy Constructor
/*!
* @param right Object to be copied
*/
LTPspecies(const LTPspecies& right);
//! Assignment operator
/*!
* @param right Object to be copied
*
* @return returns a reference to the current object
*/
LTPspecies& operator=(const LTPspecies& right);
//! Destructor
virtual ~LTPspecies();
//! Duplication routine
/*!
* (virtual from LTPspecies)
*
* @return Returns a copy of this routine as a pointer to LTPspecies
*/
virtual LTPspecies* duplMyselfAsLTPspecies() const;
//! Returns the vector of pure species transport property
//! Returns the vector of standard state species transport property
/*!
* The pure species transport property (i.e. pure species viscosity)
* The standard state species transport property
* is returned. Any temperature and composition dependence will be
* adjusted internally according to the information provided by the
* subclass object.
@ -120,17 +135,17 @@ public:
doublereal getMixWeight() const;
private:
//! Internal model to adjust species-specific properties for composition.
//! Internal model to adjust species-specific properties for the composition.
/*!
* Currently just a place holder, but this method could take
* the composition from the thermo object and adjust coefficients
* accoding to some unspecified model.
* according to some yet unspecified model.
*/
virtual void adjustCoeffsForComposition();
protected:
//! Species Name
//! Species Name for the property that is being described
std::string m_speciesName;
//! Model type for the temperature dependence
@ -161,8 +176,7 @@ protected:
};
//! Class LTPspecies_Const holds transport parameters for a
//! specific liquid-phase species (LTPspecies) when the
//! transport property is just a constant value.
//! specific liquid-phase species (LTPspecies) when the transport property is just a constant value.
/*!
* As an example of the input required for LTPspecies_Const
* consider the following XML fragment
@ -179,14 +193,14 @@ protected:
* </species>
* \endverbatim
*/
class LTPspecies_Const : public LTPspecies
class LTPspecies_Const : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property
//! expressed as a constant value.
/** The transport property is constructed from the XML node,
//! Construct an LTPspecies object for a liquid transport property expressed as a constant value.
/*!
* The transport property is constructed from the XML node,
* `<propNode>`, that is a child of the `<transport>` node and specifies
* a type of transport property (like viscosity).
* a type of transport property (e.g., viscosity).
*
* @param propNode Reference to the XML node that contains the property information.
* @param name String containing the species name
@ -197,13 +211,30 @@ public:
LTPspecies_Const(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* const thermo);
//! Copy Constructor
/*!
* @param right Object to be copied
*/
LTPspecies_Const(const LTPspecies_Const& right);
//! Assignment operator
/*!
* @param right Object to be copied
*
* @return returns a reference to the current object
*/
LTPspecies_Const& operator=(const LTPspecies_Const& right);
//! Duplicates the current object given the parent class reference
/*!
* @return returns a malloced duplicate to the current object
* using the base class pointer
*/
virtual LTPspecies* duplMyselfAsLTPspecies() const;
//! Returns the pure species transport property
//! Returns the standard state species transport property
/*!
* The pure species transport property (i.e. pure species viscosity)
* The standard species transport property
* is returned. Any temperature and composition dependence will be
* adjusted internally according to the information provided.
*/
@ -214,7 +245,7 @@ public:
//! specific liquid-phase species (LTPspecies) when the
//! transport property is expressed in Arrhenius form.
/*!
* Used for pure species properties with equations of the form
* Used for standard state species properties with equations of the form
* \f[
* x = A T^b \exp( - E / RT )
* \f]
@ -258,11 +289,28 @@ public:
LTPspecies_Arrhenius(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo);
//! Copy Constructor
/*!
* @param right Object to be copied
*/
LTPspecies_Arrhenius(const LTPspecies_Arrhenius& right);
//! Assignment operator
/*!
* @param right Object to be copied
*
* @return returns a reference to the current object
*/
LTPspecies_Arrhenius& operator=(const LTPspecies_Arrhenius& right);
//! Duplicates the current object given the parent class reference
/*!
* @return returns a malloced duplicate to the current object
* using the base class pointer
*/
virtual LTPspecies* duplMyselfAsLTPspecies() const;
//! Return the pure species value for this transport property evaluated
//! Return the standard state species value for this transport property evaluated
//! from the Arrhenius expression
/*!
* In general the Arrhenius expression is
@ -279,7 +327,7 @@ public:
* \mu = A T^n \exp( + E / R T ).
* \f]
*
* Any temperature and composition dependence will be
* Any temperature and composition dependence will be
* adjusted internally according to the information provided.
*/
doublereal getSpeciesTransProp();
@ -302,7 +350,7 @@ protected:
//! specific liquid-phase species (LTPspecies) when the transport
//! property is expressed as a polynomial in temperature.
/*!
* Used for pure species properties with equations of the form
* Used for standard state species properties with equations of the form
* \f[
* x = f[0] + f[1] T + ... + f[N] T^N
* \f]
@ -323,7 +371,7 @@ protected:
* </species>
* \endverbatim
*/
class LTPspecies_Poly : public LTPspecies
class LTPspecies_Poly : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property expressed as a polynomial in temperature.
@ -341,13 +389,30 @@ public:
*/
LTPspecies_Poly(const XML_Node& propNode, const std::string name, TransportPropertyType tp_ind, const thermo_t* thermo);
//! Copy Constructor
/*!
* @param right Object to be copied
*/
LTPspecies_Poly(const LTPspecies_Poly& right);
//! Assignment operator
/*!
* @param right Object to be copied
*
* @return returns a reference to the current object
*/
LTPspecies_Poly& operator=(const LTPspecies_Poly& right);
//! Duplicates the current object given the parent class reference
/*!
* @return returns a malloced duplicate to the current object
* using the base class pointer
*/
virtual LTPspecies* duplMyselfAsLTPspecies() const;
//! Returns the pure species transport property
//! Returns the standard state species transport property
/*!
* The pure species transport property (i.e. pure species viscosity)
* The standard state species transport property
* is returned. Any temperature and composition dependence will be
* adjusted internally according to the information provided.
*/
@ -361,11 +426,11 @@ protected:
doublereal m_prop;
};
//! Class LTPspecies_ExpT holds transport parameters for a specific liquid-
//! Class LTPspecies_ExpT holds transport parameters for a specific liquid-
//! phase species (LTPspecies) when the transport property is expressed as an
//! exponential in temperature.
/*!
* Used for pure species properties with equations of the form
* Used for standard state species properties with equations of the form
*
* \f[
* x = f[0] \exp( f[1] T + ... + f[N] T^{N} )
@ -388,7 +453,7 @@ protected:
* </species>
* \endverbatim
*/
class LTPspecies_ExpT : public LTPspecies
class LTPspecies_ExpT : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property
@ -408,13 +473,30 @@ public:
LTPspecies_ExpT(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo);
//! Copy Constructor
/*!
* @param right Object to be copied
*/
LTPspecies_ExpT(const LTPspecies_ExpT& right);
//! Assignment operator
/*!
* @param right Object to be copied
*
* @return returns a reference to the current object
*/
LTPspecies_ExpT& operator=(const LTPspecies_ExpT& right);
//! Duplicates the current object given the parent class reference
/*!
* @return returns a malloced duplicate to the current object
* using the base class pointer
*/
virtual LTPspecies* duplMyselfAsLTPspecies() const;
//! Returns the pure species transport property
//! Returns the standard state species transport property
/*!
* The pure species transport property (i.e. pure species viscosity)
* The standard state species transport property
* is returned. Any temperature and composition dependence will be
* adjusted internally according to the information provided.
*/
@ -424,7 +506,7 @@ protected:
//! temperature from thermo object
doublereal m_temp;
//! most recent evaluation of transport property
//! most recent evaluation of the transport property
doublereal m_prop;
};

8
include/cantera/transport/LiquidTranInteraction.h
View file

@ -86,17 +86,17 @@ enum LiquidTranMixingModel {
//! Base class to handle transport property evaluation in a mixture.
/*!
* In a mixture, the mixture transport properties will generally depend on
* the contributions of each of the pure species transport properties.
* the contributions of each of the standard state species transport properties.
* Many composition dependencies are possible. This class,
* LiquidTranInteraction, is designed to be a base class for the
* implementation of various models for the mixing of pure species
* implementation of various models for the mixing of standard state species
* transport properties.
*
* There are two very broad types of transport properties to consider.
* First, there are properties for which a mixture value can be
* 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
* Second, there are properties for which a matrix of properties may
* 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
@ -107,7 +107,7 @@ class LiquidTranInteraction
public:
//! Constructor
/**
* @param tp_ind Index indicating transport property type (i.e. viscosity)
* @param tp_ind Index indicating the transport property type (e.g., viscosity)
*/
LiquidTranInteraction(TransportPropertyType tp_ind = TP_UNKNOWN);

9
include/cantera/transport/LiquidTransportParams.h
View file

@ -39,19 +39,22 @@ public:
LiquidTranInteraction* ionConductivity;
//! Vector of pointer to the LiquidTranInteraction object which handles the calculation of
//! each species' mobility ratios for the phase
//! the mobility ratios for the phase
/*!
* The mobility ratio is defined via the following quantity where i and j are species indecises.
*
* mobRat(i,j) = mu_i / mu_j
*
* It is returned in fortran-ordering format. ie. it is returned as mobRat[k], where
*
* k = j * nsp + i
*
* Length = nsp * nsp
*/
std::vector<LiquidTranInteraction*> mobilityRatio;
//! Vector of pointer to the LiquidTranInteraction object which handles
//! the calculation of each species' self diffusion coefficient for the
//! phase
//! the calculation of each species' self diffusion coefficient for the phase
std::vector<LiquidTranInteraction*> selfDiffusion;
//! Pointer to the LiquidTranInteraction object which handles the

2
include/cantera/transport/TransportParams.h
View file

@ -42,7 +42,7 @@ public:
//! Local storage of the number of species
size_t nsp_;
//! Pointer to the ThermoPhase object
//! Pointer to the ThermoPhase object: shallow pointer
thermo_t* thermo;
//! Local storage of the molecular weights of the species