[Doc] Remove suppression of Doxygen autolinking
In those cases where the name is actually a reference to the class, we actually want Doxygen to apply formatting to the name and link to the class's documentation, so we shouldn't suppress that behavior with the prepended '%'.
This commit is contained in:
parent
3812215ce2
commit
ba42bc6da2
63 changed files with 205 additions and 206 deletions
|
|
@ -149,12 +149,11 @@ public:
|
|||
|
||||
protected:
|
||||
|
||||
//! Pointer to the %ThermoPhase object used to initialize this object.
|
||||
|
||||
//! Pointer to the ThermoPhase object used to initialize this object.
|
||||
/*!
|
||||
* This %ThermoPhase object must be compatible with the %ThermoPhase
|
||||
* This ThermoPhase object must be compatible with the ThermoPhase
|
||||
* objects input from the equilibrate function. Currently, this
|
||||
* means that the 2 %ThermoPhases have to have consist of the same
|
||||
* means that the 2 ThermoPhases have to have consist of the same
|
||||
* species and elements.
|
||||
*/
|
||||
thermo_t* m_phase;
|
||||
|
|
|
|||
|
|
@ -367,7 +367,7 @@ public:
|
|||
* @param estimateEquil integer indicating whether the solver should
|
||||
* estimate its own initial condition.
|
||||
* - If 0, the initial mole fraction vector in the
|
||||
* %ThermoPhase object is used as the initial condition.
|
||||
* ThermoPhase object is used as the initial condition.
|
||||
* - If 1, the initial mole fraction vector is used if the
|
||||
* element abundances are satisfied.
|
||||
* - If -1, the initial mole fraction vector is thrown
|
||||
|
|
|
|||
|
|
@ -27,9 +27,9 @@ public:
|
|||
|
||||
//! Duplication routine for objects which inherit from Kinetics
|
||||
/*!
|
||||
* This virtual routine can be used to duplicate %Kinetics objects
|
||||
* inherited from %Kinetics even if the application only has
|
||||
* a pointer to %Kinetics to work with.
|
||||
* This virtual routine can be used to duplicate Kinetics objects
|
||||
* inherited from Kinetics even if the application only has
|
||||
* a pointer to Kinetics to work with.
|
||||
*
|
||||
* These routines are basically wrappers around the derived copy constructor.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -45,7 +45,7 @@ public:
|
|||
/// Destructor.
|
||||
virtual ~ElectrodeKinetics();
|
||||
|
||||
//! Copy Constructor for the %Kinetics object.
|
||||
//! Copy Constructor
|
||||
ElectrodeKinetics(const ElectrodeKinetics& right);
|
||||
|
||||
//! Assignment operator
|
||||
|
|
@ -53,10 +53,10 @@ public:
|
|||
|
||||
//! Duplication function
|
||||
/*!
|
||||
* @param tpVector Vector of %ThermoPhase pointers. These are shallow pointers to the
|
||||
* %ThermoPhase objects that will comprise the phases for the new object.
|
||||
* @param tpVector Vector of ThermoPhase pointers. These are shallow pointers to the
|
||||
* ThermoPhase objects that will comprise the phases for the new object.
|
||||
*
|
||||
* @return Returns the duplicated object as the base class %Kinetics object.
|
||||
* @return Returns the duplicated object as the base class Kinetics object.
|
||||
*/
|
||||
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
|
||||
|
||||
|
|
|
|||
|
|
@ -102,7 +102,7 @@ public:
|
|||
/// Destructor.
|
||||
virtual ~InterfaceKinetics();
|
||||
|
||||
//! Copy Constructor for the %Kinetics object.
|
||||
//! Copy Constructor
|
||||
InterfaceKinetics(const InterfaceKinetics& right);
|
||||
|
||||
//! Assignment operator
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file DenseMatrix.h
|
||||
* Headers for the %DenseMatrix object, which deals with dense rectangular matrices and
|
||||
* Headers for the DenseMatrix object, which deals with dense rectangular matrices and
|
||||
* description of the numerics groupings of objects
|
||||
* (see \ref numerics and \link Cantera::DenseMatrix DenseMatrix \endlink) .
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -58,7 +58,7 @@ public:
|
|||
* @param pref reference pressure (Pa).
|
||||
* @param coeffs Vector of coefficients used to set the
|
||||
* parameters for the standard state for species n.
|
||||
* There are 4 coefficients for the %ConstCpPoly parameterization.
|
||||
* There are 4 coefficients for the ConstCpPoly parameterization.
|
||||
* - c[0] = \f$ T_0 \f$(Kelvin)
|
||||
* - c[1] = \f$ H_k^o(T_0, p_{ref}) \f$ (J/kmol)
|
||||
* - c[2] = \f$ S_k^o(T_0, p_{ref}) \f$ (J/kmol K)
|
||||
|
|
|
|||
|
|
@ -43,11 +43,11 @@ public:
|
|||
*/
|
||||
ConstDensityThermo& operator=(const ConstDensityThermo& right);
|
||||
|
||||
//! Duplication routine for objects which inherit from %ThermoPhase
|
||||
//! Duplication routine for objects which inherit from ThermoPhase
|
||||
/*!
|
||||
* This virtual routine can be used to duplicate objects
|
||||
* derived from %ThermoPhase even if the application only has
|
||||
* a pointer to %ThermoPhase to work with.
|
||||
* derived from ThermoPhase even if the application only has
|
||||
* a pointer to ThermoPhase to work with.
|
||||
*/
|
||||
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
|
||||
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
/**
|
||||
* @file DebyeHuckel.h
|
||||
* Headers for the %DebyeHuckel ThermoPhase object, which models dilute
|
||||
* Headers for the DebyeHuckel ThermoPhase object, which models dilute
|
||||
* electrolyte solutions
|
||||
* (see \ref thermoprops and \link Cantera::DebyeHuckel DebyeHuckel \endlink) .
|
||||
*
|
||||
* Class %DebyeHuckel represents a dilute liquid electrolyte phase which
|
||||
* Class DebyeHuckel represents a dilute liquid electrolyte phase which
|
||||
* obeys the Debye Huckel formulation for nonideality.
|
||||
*/
|
||||
|
||||
|
|
@ -48,14 +48,14 @@ class PDSS_Water;
|
|||
/**
|
||||
* @ingroup thermoprops
|
||||
*
|
||||
* Class %DebyeHuckel represents a dilute liquid electrolyte phase which
|
||||
* Class DebyeHuckel represents a dilute liquid electrolyte phase which
|
||||
* obeys the Debye Huckel formulation for nonideality.
|
||||
*
|
||||
* The concentrations of the ionic species are assumed to obey the electroneutrality
|
||||
* condition.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* The standard states are on the unit molality basis. Therefore, in the
|
||||
|
|
@ -103,7 +103,7 @@ class PDSS_Water;
|
|||
* base values of species sizes. These are defined as the
|
||||
* molar volumes of species at infinite dilution at 300 K and 1 atm
|
||||
* of water. m_speciesSize are calculated during the initialization of the
|
||||
* %DebyeHuckel object and are then not touched.
|
||||
* DebyeHuckel object and are then not touched.
|
||||
*
|
||||
* The current model assumes that an incompressible molar volume for
|
||||
* all solutes. The molar volume for the water solvent, however,
|
||||
|
|
@ -399,7 +399,7 @@ class PDSS_Water;
|
|||
* <H3> Specification of the Debye Huckel Constants </H3>
|
||||
*
|
||||
* In the equations above, the formulas for \f$ A_{Debye} \f$ and \f$ B_{Debye} \f$
|
||||
* are needed. The %DebyeHuckel object uses two methods for specifying these quantities.
|
||||
* are needed. The DebyeHuckel object uses two methods for specifying these quantities.
|
||||
* The default method is to assume that \f$ A_{Debye} \f$ is a constant, given
|
||||
* in the initialization process, and stored in the
|
||||
* member double, m_A_Debye. Optionally, a full water treatment may be employed that makes
|
||||
|
|
@ -458,7 +458,7 @@ class PDSS_Water;
|
|||
* water value, or through the input file. This may have to be looked at, in the future.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* For the time being, we have set the standard concentration for all species in
|
||||
|
|
@ -514,7 +514,7 @@ class PDSS_Water;
|
|||
* <HR>
|
||||
*
|
||||
* The constructor for this phase is NOT located in the default ThermoFactory
|
||||
* for %Cantera. However, a new %DebyeHuckel object may be created by
|
||||
* for %Cantera. However, a new DebyeHuckel object may be created by
|
||||
* the following code snippets:
|
||||
*
|
||||
* @code
|
||||
|
|
@ -849,7 +849,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -62,7 +62,7 @@ public:
|
|||
* @param thermoData Reference to an XML_Node named thermo
|
||||
* containing the equation-of-state data. The
|
||||
* XML_Node is within the phase XML_Node describing
|
||||
* the %EdgePhase object.
|
||||
* the EdgePhase object.
|
||||
*
|
||||
* An example of the contents of the thermoData XML_Node is provided
|
||||
* below. The units attribute is used to supply the units of the
|
||||
|
|
|
|||
|
|
@ -99,7 +99,7 @@ class XML_Node;
|
|||
|
||||
//! Object containing the elements that make up species in a phase.
|
||||
/*!
|
||||
* Class %Elements manages the elements that are part of a
|
||||
* Class Elements manages the elements that are part of a
|
||||
* chemistry specification. This class may support calculations
|
||||
* employing Multiple phases. In this case, a single Elements object may
|
||||
* be shared by more than one Constituents class. Reactions between
|
||||
|
|
|
|||
|
|
@ -19,14 +19,14 @@
|
|||
namespace Cantera
|
||||
{
|
||||
|
||||
//! Class %FixedChemPotSSTP represents a stoichiometric (fixed
|
||||
//! Class FixedChemPotSSTP represents a stoichiometric (fixed
|
||||
//! composition) incompressible substance.
|
||||
/*!
|
||||
* This class internally changes the independent degree of freedom from
|
||||
* density to pressure. This is necessary because the phase is
|
||||
* incompressible. It uses a zero volume approximation.
|
||||
*
|
||||
* <b> Specification of Species Standard %State Properties </b>
|
||||
* <b> Specification of Species Standard State Properties </b>
|
||||
*
|
||||
* This class inherits from SingleSpeciesTP.
|
||||
* It uses a single value for the chemical potential which is assumed to be constant
|
||||
|
|
@ -46,7 +46,7 @@ namespace Cantera
|
|||
* All solution properties are obtained from the standard state
|
||||
* species functions, since there is only one species in the phase.
|
||||
*
|
||||
* <b> Application within %Kinetics Managers </b>
|
||||
* <b> Application within Kinetics Managers </b>
|
||||
*
|
||||
* The standard concentration is equal to 1.0. This means that the
|
||||
* kinetics operator works on an (activities basis). Since this
|
||||
|
|
@ -69,7 +69,7 @@ namespace Cantera
|
|||
* <b> Instantiation of the Class </b>
|
||||
*
|
||||
* This phase may be instantiated by calling the default ThermoFactory routine
|
||||
* for %Cantera. This new %FixedChemPotSSTP object must then have a standalone xml file
|
||||
* for %Cantera. This new FixedChemPotSSTP object must then have a standalone xml file
|
||||
* description an example of which is given below.
|
||||
*
|
||||
* It may also be created by the following code snippets. The code
|
||||
|
|
@ -181,7 +181,7 @@ public:
|
|||
//! Special constructor for the FixecChemPotSSTP class setting an element chemical
|
||||
//! potential directly
|
||||
/*!
|
||||
* This will create a %FixedChemPotSSTP consisting of a single species with the
|
||||
* This will create a FixedChemPotSSTP consisting of a single species with the
|
||||
* stoichiometry of one of the specified atom. It will have a chemical potential
|
||||
* that is given by the second argument.
|
||||
*
|
||||
|
|
@ -330,7 +330,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -71,7 +71,7 @@ namespace Cantera
|
|||
* vector constant, all of the setState functions are redesigned at this layer.
|
||||
*
|
||||
* <H3>
|
||||
* Activity Concentrations: Relationship of %ThermoPhase to %Kinetics Expressions
|
||||
* Activity Concentrations: Relationship of ThermoPhase to %Kinetics Expressions
|
||||
* </H3>
|
||||
*
|
||||
* As explained in a similar discussion in the ThermoPhase class, the actual units used
|
||||
|
|
@ -85,7 +85,7 @@ namespace Cantera
|
|||
* Here we set a standard for the specification of the standard concentrations for this class
|
||||
* and all child classes underneath it. We specify here that the standard concentration is
|
||||
* equal to 1 for all species. Therefore, the activities appear directly in kinetics expressions
|
||||
* involving species in underlying %GibbsExcessVPSSTP phases.
|
||||
* involving species in underlying GibbsExcessVPSSTP phases.
|
||||
*
|
||||
* <H3>
|
||||
* SetState Strategy
|
||||
|
|
@ -296,7 +296,7 @@ public:
|
|||
/*!
|
||||
* Implementations should take the derivative of the logarithm of the activity coefficient with respect to a
|
||||
* species log mole number (with all other species mole numbers held constant). The default treatment in the
|
||||
* %ThermoPhase object is to set this vector to zero.
|
||||
* ThermoPhase object is to set this vector to zero.
|
||||
*
|
||||
* units = 1 / kmol
|
||||
*
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
/**
|
||||
* @file HMWSoln.h
|
||||
* Headers for the %HMWSoln ThermoPhase object, which models concentrated
|
||||
* Headers for the HMWSoln ThermoPhase object, which models concentrated
|
||||
* electrolyte solutions
|
||||
* (see \ref thermoprops and \link Cantera::HMWSoln HMWSoln \endlink) .
|
||||
*
|
||||
* Class %HMWSoln represents a concentrated liquid electrolyte phase which
|
||||
* Class HMWSoln represents a concentrated liquid electrolyte phase which
|
||||
* obeys the Pitzer formulation for nonideality using molality-based
|
||||
* standard states.
|
||||
*/
|
||||
|
|
@ -81,7 +81,7 @@ namespace Cantera
|
|||
class WaterProps;
|
||||
|
||||
/**
|
||||
* Class %HMWSoln represents a dilute or concentrated liquid electrolyte
|
||||
* Class HMWSoln represents a dilute or concentrated liquid electrolyte
|
||||
* phase which obeys the Pitzer formulation for nonideality.
|
||||
*
|
||||
* As a prerequisite to the specification of thermodynamic quantities,
|
||||
|
|
@ -89,7 +89,7 @@ class WaterProps;
|
|||
* electroneutrality condition.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* The solvent is assumed to be liquid water. A real model for liquid
|
||||
|
|
@ -150,7 +150,7 @@ class WaterProps;
|
|||
* base values of species sizes. These are defined as the
|
||||
* molar volumes of species at infinite dilution at 300 K and 1 atm
|
||||
* of water. m_speciesSize are calculated during the initialization of the
|
||||
* %HMWSoln object and are then not touched.
|
||||
* HMWSoln object and are then not touched.
|
||||
*
|
||||
* The current model assumes that an incompressible molar volume for
|
||||
* all solutes. The molar volume for the water solvent, however,
|
||||
|
|
@ -614,10 +614,10 @@ class WaterProps;
|
|||
* Therefore,
|
||||
* a formalism wherein all of the coefficients in the base theory have
|
||||
* temperature dependencies associated with them has been implemented
|
||||
* within the %HMWSoln object. Much of the formalism, however,
|
||||
* within the HMWSoln object. Much of the formalism, however,
|
||||
* has been unexercised.
|
||||
*
|
||||
* In the %HMWSoln object, the temperature dependence of the Pitzer
|
||||
* In the HMWSoln object, the temperature dependence of the Pitzer
|
||||
* parameters are specified in the following way.
|
||||
*
|
||||
* - PIZTER_TEMP_CONSTANT - string name "CONSTANT"
|
||||
|
|
@ -874,7 +874,7 @@ class WaterProps;
|
|||
* <H3> Specification of the Debye-Huckel Constant </H3>
|
||||
*
|
||||
* In the equations above, the formula for \f$ A_{Debye} \f$
|
||||
* is needed. The %HMWSoln object uses two methods for specifying these quantities.
|
||||
* is needed. The HMWSoln object uses two methods for specifying these quantities.
|
||||
* The default method is to assume that \f$ A_{Debye} \f$ is a constant, given
|
||||
* in the initialization process, and stored in the
|
||||
* member double, m_A_Debye. Optionally, a full water treatment may be employed that makes
|
||||
|
|
@ -922,7 +922,7 @@ class WaterProps;
|
|||
* </activityCoefficients>
|
||||
* @endcode
|
||||
*
|
||||
* An example of a variable value implementation within the %HMWSoln object is given below.
|
||||
* An example of a variable value implementation within the HMWSoln object is given below.
|
||||
* The model attribute, "water", triggers the full implementation.
|
||||
*
|
||||
* @code
|
||||
|
|
@ -1001,7 +1001,7 @@ class WaterProps;
|
|||
* s_update_dlnMolalityActCoeff_dP().
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* For the time being, we have set the standard concentration for all solute
|
||||
|
|
@ -1101,7 +1101,7 @@ class WaterProps;
|
|||
* @endcode
|
||||
*
|
||||
*
|
||||
* A new %HMWSoln object may be created by the following code snippets:
|
||||
* A new HMWSoln object may be created by the following code snippets:
|
||||
*
|
||||
* @code
|
||||
* HMWSoln *HMW = new HMWSoln("HMW_NaCl.xml", "NaCl_electrolyte");
|
||||
|
|
@ -1654,7 +1654,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
@ -2030,7 +2030,7 @@ public:
|
|||
//! pressure, and solution concentration.
|
||||
/*!
|
||||
* See Denbigh p. 278 for a thorough discussion. This class must be overwritten in
|
||||
* classes which derive from %MolalityVPSSTP. This function takes over from the
|
||||
* classes which derive from MolalityVPSSTP. This function takes over from the
|
||||
* molar-based activity coefficient calculation, getActivityCoefficients(), in
|
||||
* derived classes.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -15,11 +15,11 @@
|
|||
namespace Cantera
|
||||
{
|
||||
|
||||
//! Class %IdealGasPhase represents low-density gases that obey the
|
||||
//! Class IdealGasPhase represents low-density gases that obey the
|
||||
//! ideal gas equation of state.
|
||||
/*!
|
||||
*
|
||||
* %IdealGasPhase derives from class ThermoPhase,
|
||||
* IdealGasPhase derives from class ThermoPhase,
|
||||
* and overloads the virtual methods defined there with ones that
|
||||
* use expressions appropriate for ideal gas mixtures.
|
||||
*
|
||||
|
|
@ -50,7 +50,7 @@ namespace Cantera
|
|||
* state thermo functions by calling the SpeciesThermo object.
|
||||
*
|
||||
* Functions for the calculation of standard state properties for species
|
||||
* at arbitrary pressure are provided in %IdealGasPhase. However, they
|
||||
* at arbitrary pressure are provided in IdealGasPhase. However, they
|
||||
* are all derived from their reference state counterparts.
|
||||
*
|
||||
* The standard state enthalpy is independent of pressure:
|
||||
|
|
@ -149,7 +149,7 @@ namespace Cantera
|
|||
*
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* \f$ C^a_k\f$ are defined such that \f$ a_k = C^a_k /
|
||||
|
|
@ -255,7 +255,7 @@ namespace Cantera
|
|||
* <HR>
|
||||
*
|
||||
* The constructor for this phase is located in the default ThermoFactory
|
||||
* for %Cantera. A new %IdealGasPhase may be created by the following code
|
||||
* for %Cantera. A new IdealGasPhase may be created by the following code
|
||||
* snippet:
|
||||
*
|
||||
* @code
|
||||
|
|
@ -352,7 +352,7 @@ public:
|
|||
* duplicate the ThermoPhase object and all underlying structures.
|
||||
* This is basically a wrapper around the inherited copy constructor.
|
||||
*
|
||||
* @return returns a pointer to a %ThermoPhase object, containing
|
||||
* @return returns a pointer to a ThermoPhase object, containing
|
||||
* a copy of the current object
|
||||
*/
|
||||
ThermoPhase* duplMyselfAsThermoPhase() const;
|
||||
|
|
|
|||
|
|
@ -40,7 +40,7 @@ class IdealSolnGasVPSS : public VPStandardStateTP
|
|||
{
|
||||
public:
|
||||
/*!
|
||||
* @name Constructors and Duplicators for %IdealSolnGasVPSS
|
||||
* @name Constructors and Duplicators for IdealSolnGasVPSS
|
||||
*/
|
||||
//! @{
|
||||
|
||||
|
|
@ -175,7 +175,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -126,7 +126,7 @@ namespace Cantera
|
|||
* concentration.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* \f$ C^a_k\f$ are defined such that \f$ C^a_k = a_k = X_k \f$
|
||||
|
|
@ -190,7 +190,7 @@ namespace Cantera
|
|||
* <HR>
|
||||
*
|
||||
* The constructor for this phase is located in the default ThermoFactory
|
||||
* for %Cantera. A new %LatticePhase object may be created by the following code snippet:
|
||||
* for %Cantera. A new LatticePhase object may be created by the following code snippet:
|
||||
*
|
||||
* @code
|
||||
* XML_Node *xc = get_XML_File("O_lattice_SiO2.xml");
|
||||
|
|
|
|||
|
|
@ -20,8 +20,8 @@ namespace Cantera
|
|||
//! A phase that is comprised of a fixed additive combination of other lattice phases
|
||||
/*!
|
||||
* This is the main way %Cantera describes semiconductors and other solid phases.
|
||||
* This %ThermoPhase object calculates its properties as a sum over other %LatticePhase objects. Each of the %LatticePhase
|
||||
* objects is a %ThermoPhase object by itself.
|
||||
* This ThermoPhase object calculates its properties as a sum over other LatticePhase objects. Each of the LatticePhase
|
||||
* objects is a ThermoPhase object by itself.
|
||||
*
|
||||
* The results from this LatticeSolidPhase model reduces to the LatticePhase model when there is one
|
||||
* lattice phase and the molar densities of the sublattice and the molar density within the LatticeSolidPhase
|
||||
|
|
@ -32,7 +32,7 @@ namespace Cantera
|
|||
* have been redefined to use this convention.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* The standard state properties are calculated in the normal way for each of the sublattices. The normal way
|
||||
|
|
@ -44,10 +44,10 @@ namespace Cantera
|
|||
* <H2> Specification of Solution Thermodynamic Properties </H2>
|
||||
* <HR>
|
||||
|
||||
* The sum over the %LatticePhase objects is carried out by weighting each %LatticePhase object
|
||||
* value with the molar density (kmol m-3) of its %LatticePhase. Then the resulting quantity is divided by
|
||||
* The sum over the LatticePhase objects is carried out by weighting each LatticePhase object
|
||||
* value with the molar density (kmol m-3) of its LatticePhase. Then the resulting quantity is divided by
|
||||
* the molar density of the total compound. The LatticeSolidPhase object therefore only contains a
|
||||
* listing of the number of %LatticePhase object
|
||||
* listing of the number of LatticePhase object
|
||||
* that comprises the solid, and it contains a value for the molar density of the entire mixture.
|
||||
* This is the same thing as saying that
|
||||
*
|
||||
|
|
@ -173,7 +173,7 @@ public:
|
|||
//! of the standard state, of which there are currently two,
|
||||
//! temperature based, and variable pressure based.
|
||||
/*!
|
||||
* All of the thermo is determined by slave %ThermoPhase routines.
|
||||
* All of the thermo is determined by slave ThermoPhase routines.
|
||||
*/
|
||||
virtual int standardStateConvention() const {
|
||||
return cSS_CONVENTION_SLAVE;
|
||||
|
|
|
|||
|
|
@ -32,7 +32,7 @@ namespace Cantera
|
|||
//! the Margules approximation for the excess gibbs free energy
|
||||
/*!
|
||||
*
|
||||
* %MargulesVPSSTP derives from class GibbsExcessVPSSTP which is derived
|
||||
* MargulesVPSSTP derives from class GibbsExcessVPSSTP which is derived
|
||||
* from VPStandardStateTP,
|
||||
* and overloads the virtual methods defined there with ones that
|
||||
* use expressions appropriate for the Margules Excess gibbs free energy
|
||||
|
|
@ -59,7 +59,7 @@ namespace Cantera
|
|||
*
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* All species are defined to have standard states that depend upon both
|
||||
|
|
@ -152,7 +152,7 @@ namespace Cantera
|
|||
* \f]
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* \f$ C^a_k\f$ are defined such that \f$ a_k = C^a_k /
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file MetalSHEelectrons.h
|
||||
* Header file for the %MetalSHEElectrons class, which represents the
|
||||
* Header file for the MetalSHEElectrons class, which represents the
|
||||
* electrons in a metal that are consistent with the
|
||||
* SHE electrode (see \ref thermoprops and
|
||||
* class \link Cantera::MetalSHEelectrons MetalSHEelectrons\endlink)
|
||||
|
|
@ -19,13 +19,13 @@
|
|||
namespace Cantera
|
||||
{
|
||||
|
||||
//! Class %MetalSHEelectrons represents electrons within
|
||||
//! Class MetalSHEelectrons represents electrons within
|
||||
//! a metal, adjacent to an aqueous electrolyte, that are consistent with the SHE reference electrode.
|
||||
/*!
|
||||
* The class is based on the electron having a chemical potential
|
||||
* equal to one-half of the entropy of the H<SUP>2</SUP> gas at the system pressure
|
||||
*
|
||||
* <b> Specification of Species Standard %State Properties </b>
|
||||
* <b> Specification of Species Standard State Properties </b>
|
||||
*
|
||||
* This class inherits from SingleSpeciesTP.
|
||||
* It is assumed that the reference state thermodynamics may be
|
||||
|
|
@ -78,7 +78,7 @@ namespace Cantera
|
|||
* All solution properties are obtained from the standard state
|
||||
* species functions, since there is only one species in the phase.
|
||||
*
|
||||
* <b> %Application within %Kinetics Managers </b>
|
||||
* <b> %Application within Kinetics Managers </b>
|
||||
*
|
||||
* The standard concentration is equal to 1.0. This means that the
|
||||
* kinetics operator works on an activities basis. Since this
|
||||
|
|
@ -94,7 +94,7 @@ namespace Cantera
|
|||
* <b> Instantiation of the Class </b>
|
||||
*
|
||||
* The constructor for this phase is located in the default ThermoFactory
|
||||
* for %Cantera. A new %MetalSHEelectrons object may be created by
|
||||
* for %Cantera. A new MetalSHEelectrons object may be created by
|
||||
* the following code snippets, where the file metalSHEelectrons.xml exists
|
||||
* in a local directory:
|
||||
*
|
||||
|
|
@ -124,7 +124,7 @@ namespace Cantera
|
|||
*
|
||||
* <b> XML Example </b>
|
||||
*
|
||||
* The phase model name for this is called %MetalSHEelectrons. It must be supplied
|
||||
* The phase model name for this is called MetalSHEelectrons. It must be supplied
|
||||
* as the model attribute of the thermo XML element entry.
|
||||
* Within the phase XML block,
|
||||
* the density of the phase must be specified though it's not used. An example of an XML file
|
||||
|
|
@ -173,7 +173,7 @@ namespace Cantera
|
|||
* @endcode
|
||||
*
|
||||
* The model attribute, "MetalSHEelectrons", on the thermo element
|
||||
* identifies the phase as being a %MetalSHEelectrons object.
|
||||
* identifies the phase as being a MetalSHEelectrons object.
|
||||
*
|
||||
* @ingroup thermoprops
|
||||
*/
|
||||
|
|
@ -183,7 +183,7 @@ public:
|
|||
//! Default constructor for the MetalSHEelectrons class
|
||||
MetalSHEelectrons();
|
||||
|
||||
//! Construct and initialize a %MetalSHEelectrons %ThermoPhase object
|
||||
//! Construct and initialize a MetalSHEelectrons ThermoPhase object
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* @param infile name of the input file
|
||||
|
|
@ -345,7 +345,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -20,13 +20,13 @@
|
|||
namespace Cantera
|
||||
{
|
||||
|
||||
//! Class %MineralEQ3 represents a stoichiometric (fixed
|
||||
//! Class MineralEQ3 represents a stoichiometric (fixed
|
||||
//! composition) incompressible substance based on EQ3's parameterization
|
||||
/*!
|
||||
* This class inherits from SingleSpeciesSSTP class.
|
||||
* EQ's parameterization is mapped onto the Shomate polynomial class.
|
||||
*
|
||||
* <b> Specification of Species Standard %State Properties </b>
|
||||
* <b> Specification of Species Standard State Properties </b>
|
||||
*
|
||||
* This class inherits from SingleSpeciesTP.
|
||||
* It is assumed that the reference state thermodynamics may be
|
||||
|
|
@ -69,7 +69,7 @@ namespace Cantera
|
|||
* All solution properties are obtained from the standard state
|
||||
* species functions, since there is only one species in the phase.
|
||||
*
|
||||
* <b> %Application within %Kinetics Managers </b>
|
||||
* <b> %Application within Kinetics Managers </b>
|
||||
*
|
||||
* The standard concentration is equal to 1.0. This means that the
|
||||
* kinetics operator works on an (activities basis). Since this
|
||||
|
|
@ -259,7 +259,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -59,7 +59,7 @@ namespace Cantera
|
|||
*
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* All species are defined to have standard states that depend upon both
|
||||
|
|
@ -152,7 +152,7 @@ namespace Cantera
|
|||
* \f]
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* \f$ C^a_k\f$ are defined such that \f$ a_k = C^a_k /
|
||||
|
|
@ -223,7 +223,7 @@ namespace Cantera
|
|||
* \exp(\frac{\mu^{ref}_l - \mu^{ref}_j - \mu^{ref}_k}{R T} ) * \frac{P_{ref}}{RT}
|
||||
* \f]
|
||||
*
|
||||
* %Kinetics managers will calculate the concentration equilibrium constant, \f$ K_c \f$,
|
||||
* Kinetics managers will calculate the concentration equilibrium constant, \f$ K_c \f$,
|
||||
* using the second and third part of the above expression as a definition for the concentration
|
||||
* equilibrium constant.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -71,7 +71,7 @@ namespace Cantera
|
|||
class MixtureFugacityTP : public ThermoPhase
|
||||
{
|
||||
public:
|
||||
//! @name Constructors and Duplicators for %MixtureFugacityTP
|
||||
//! @name Constructors and Duplicators for MixtureFugacityTP
|
||||
//! @{
|
||||
|
||||
//! Constructor.
|
||||
|
|
|
|||
|
|
@ -37,8 +37,8 @@ namespace Cantera
|
|||
* for calculating liquid electrolyte thermodynamics that have been
|
||||
* developed since the 1970's.
|
||||
*
|
||||
* This class adds additional functions onto the %ThermoPhase interface
|
||||
* that handle molality based standard states. The %ThermoPhase
|
||||
* This class adds additional functions onto the ThermoPhase interface
|
||||
* that handle molality based standard states. The ThermoPhase
|
||||
* class includes a member function, ThermoPhase::activityConvention()
|
||||
* that indicates which convention the activities are based on. The
|
||||
* default is to assume activities are based on the molar convention.
|
||||
|
|
@ -130,7 +130,7 @@ namespace Cantera
|
|||
* \mu_k^\triangle(T,P) = \mu_k^o(T,P) + R T \ln(\tilde{M}_o m^\triangle)
|
||||
* \f]
|
||||
*
|
||||
* An important convention is followed in all routines that derive from <b>%MolalityVPSSTP</b>.
|
||||
* An important convention is followed in all routines that derive from MolalityVPSSTP.
|
||||
* Standard state thermodynamic functions and reference state thermodynamic functions
|
||||
* return the molality-based quantities. Also all functions which return
|
||||
* activities return the molality-based activities. The reason for this convention
|
||||
|
|
@ -315,7 +315,7 @@ public:
|
|||
* Note, the entry for the solvent is not used.
|
||||
* We are supplied with the molalities of all of the
|
||||
* solute species. We then calculate the mole fractions of all
|
||||
* species and update the %ThermoPhase object.
|
||||
* species and update the ThermoPhase object.
|
||||
* \f[
|
||||
* m_i = \frac{X_i}{M_o/1000 * X_{o,p}}
|
||||
* \f]
|
||||
|
|
@ -501,7 +501,7 @@ public:
|
|||
//! pressure, and solution concentration.
|
||||
/*!
|
||||
* See Denbigh p. 278 for a thorough discussion. This class must be overwritten in
|
||||
* classes which derive from %MolalityVPSSTP. This function takes over from the
|
||||
* classes which derive from MolalityVPSSTP. This function takes over from the
|
||||
* molar-based activity coefficient calculation, getActivityCoefficients(), in
|
||||
* derived classes.
|
||||
*
|
||||
|
|
@ -672,7 +672,7 @@ public:
|
|||
/*!
|
||||
* Implementations should take the derivative of the logarithm of the activity coefficient with respect to a
|
||||
* species log mole number (with all other species mole numbers held constant). The default treatment in the
|
||||
* %ThermoPhase object is to set this vector to zero.
|
||||
* ThermoPhase object is to set this vector to zero.
|
||||
*
|
||||
* units = 1 / kmol
|
||||
*
|
||||
|
|
@ -711,7 +711,7 @@ protected:
|
|||
//! pressure, and solution concentration.
|
||||
/*!
|
||||
* See Denbigh p. 278 for a thorough discussion. This class must be overwritten in
|
||||
* classes which derive from %MolalityVPSSTP. This function takes over from the
|
||||
* classes which derive from MolalityVPSSTP. This function takes over from the
|
||||
* molar-based activity coefficient calculation, getActivityCoefficients(), in
|
||||
* derived classes.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -15,10 +15,10 @@ namespace Cantera
|
|||
class SpeciesThermo;
|
||||
class XML_Node;
|
||||
|
||||
//! The %Mu0Poly class implements an interpolation of the Gibbs free energy based on a
|
||||
//! The Mu0Poly class implements an interpolation of the Gibbs free energy based on a
|
||||
//! piecewise constant heat capacity approximation.
|
||||
/*!
|
||||
* The %Mu0Poly class implements a piecewise constant heat capacity approximation.
|
||||
* The Mu0Poly class implements a piecewise constant heat capacity approximation.
|
||||
* of the standard state chemical potential of one
|
||||
* species at a single reference pressure.
|
||||
* The chemical potential is input as a series of (\f$T\f$, \f$ \mu^o(T)\f$)
|
||||
|
|
|
|||
|
|
@ -62,7 +62,7 @@ namespace Cantera
|
|||
*
|
||||
* These NASA representations may have multiple temperature regions
|
||||
* through the use of the Nasa9PolyMultiTempRegion object, which uses
|
||||
* multiple copies of this %Nasa9Poly1 object to handle multiple temperature
|
||||
* multiple copies of this Nasa9Poly1 object to handle multiple temperature
|
||||
* regions.
|
||||
*
|
||||
* @ingroup spthermo
|
||||
|
|
|
|||
|
|
@ -25,7 +25,7 @@ namespace Cantera
|
|||
* documentation for class Nasa9Poly1.
|
||||
*
|
||||
* These NASA representations may have multiple temperature regions
|
||||
* through the use of this %Nasa9PolyMultiTempRegion object, which uses
|
||||
* through the use of this Nasa9PolyMultiTempRegion object, which uses
|
||||
* multiple copies of the Nasa9Poly1 object to handle multiple temperature
|
||||
* regions.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -163,7 +163,7 @@ class VPSSMgr;
|
|||
* Virtual base class for calculation of the
|
||||
* pressure dependent standard state for a single species
|
||||
*
|
||||
* Class %PDSS is the base class for a family of classes that compute
|
||||
* Class PDSS is the base class for a family of classes that compute
|
||||
* properties of a set of species in their standard states at a range of
|
||||
* temperatures and pressures. The independent variables for this object are
|
||||
* temperature and pressure. The class may have a reference to a SpeciesThermo
|
||||
|
|
@ -224,12 +224,12 @@ public:
|
|||
//! Destructor for the phase
|
||||
virtual ~PDSS();
|
||||
|
||||
//! Duplication routine for objects which inherit from %PDSS
|
||||
//! Duplication routine for objects which inherit from PDSS
|
||||
/*!
|
||||
* This function can be used to duplicate objects derived from PDSS even
|
||||
* if the application only has a pointer to PDSS to work with.
|
||||
*
|
||||
* @return A pointer to the base %PDSS object type
|
||||
* @return A pointer to the base PDSS object type
|
||||
*/
|
||||
virtual PDSS* duplMyselfAsPDSS() const;
|
||||
|
||||
|
|
|
|||
|
|
@ -128,7 +128,7 @@ public:
|
|||
* This routine is a precursor to constructPDSSXML(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
* @param spindex Species index within the phase
|
||||
* @param inputFile XML file containing the description of the phase
|
||||
|
|
@ -148,7 +148,7 @@ public:
|
|||
* - getStuff from species Part of XML file
|
||||
* - initThermoXML(phaseNode) (cascade)
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
* @param spindex Species index within the phase
|
||||
* @param speciesNode XML Node containing the species information
|
||||
|
|
|
|||
|
|
@ -151,7 +151,7 @@ public:
|
|||
* This routine is a precursor to constructPDSSXML(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
* @param spindex Species index within the phase
|
||||
* @param inputFile XML file containing the description of the
|
||||
|
|
@ -172,7 +172,7 @@ public:
|
|||
* - getStuff from species Part of XML file
|
||||
* - initThermoXML(phaseNode) (cascade)
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
* @param spindex Species index within the phase
|
||||
* @param speciesNode XML Node containing the species information
|
||||
|
|
|
|||
|
|
@ -124,7 +124,7 @@ public:
|
|||
* This routine is a precursor to constructPDSSXML(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spindex Species index within the phase
|
||||
|
|
@ -147,7 +147,7 @@ public:
|
|||
* - get stuff from species part of XML file
|
||||
* - initThermoXML(phaseNode) (cascade)
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spindex Species index within the phase
|
||||
|
|
|
|||
|
|
@ -162,7 +162,7 @@ public:
|
|||
* - getStuff from species Part of XML file
|
||||
* - initThermoXML(phaseNode) (cascade)
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spindex Species index within the phase
|
||||
|
|
|
|||
|
|
@ -57,7 +57,7 @@ namespace Cantera
|
|||
* {\rho}^o_k(T,P) = \frac{M_k}{V^o_k(T,P)} = a_0 + a_1 T + a_2 T^2 + a_3 T^3 + a_4 T^4
|
||||
* \f]
|
||||
*
|
||||
* <b> Specification of Species Standard %State Properties </b>
|
||||
* <b> Specification of Species Standard State Properties </b>
|
||||
*
|
||||
* The standard molar Gibbs free energy for species <I>k</I> is determined from
|
||||
* the enthalpy and entropy expressions
|
||||
|
|
@ -66,7 +66,7 @@ namespace Cantera
|
|||
* G^o_k(T,P) = H^o_k(T,P) - S^o_k(T,P)
|
||||
* \f]
|
||||
*
|
||||
* The enthalpy is calculated mostly from the %SpeciesThermo object's enthalpy
|
||||
* The enthalpy is calculated mostly from the SpeciesThermo object's enthalpy
|
||||
* evalulator. The dependence on pressure originates from the Maxwell relation
|
||||
*
|
||||
* \f[
|
||||
|
|
@ -78,7 +78,7 @@ namespace Cantera
|
|||
* {\left(\frac{dH^o_k}{dP}\right)}_T = V^o_k - T {\left(\frac{dV^o_k}{dT}\right)}_P
|
||||
* \f]
|
||||
*
|
||||
* The entropy is calculated mostly from the %SpeciesThermo objects entropy
|
||||
* The entropy is calculated mostly from the SpeciesThermo objects entropy
|
||||
* evalulator. The dependence on pressure originates from the Maxwell relation:
|
||||
*
|
||||
* \f[
|
||||
|
|
@ -265,7 +265,7 @@ private:
|
|||
* This routine is a precursor to constructPDSSXML(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spindex Species index within the phase
|
||||
|
|
@ -288,7 +288,7 @@ private:
|
|||
* - getStuff from species Part of XML file
|
||||
* - initThermoXML(phaseNode) (cascade)
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spindex Species index within the phase
|
||||
|
|
|
|||
|
|
@ -111,13 +111,13 @@ public:
|
|||
PDSS_Water(VPStandardStateTP* tp, int spindex, const XML_Node& speciesNode,
|
||||
const XML_Node& phaseRef, bool spInstalled);
|
||||
|
||||
//! Duplication routine for objects which inherit from %PDSS
|
||||
//! Duplication routine for objects which inherit from PDSS
|
||||
/*!
|
||||
* This virtual routine can be used to duplicate %PDSS objects
|
||||
* inherited from %PDSS even if the application only has
|
||||
* a pointer to %PDSS to work with.
|
||||
* This virtual routine can be used to duplicate PDSS objects
|
||||
* inherited from PDSS even if the application only has
|
||||
* a pointer to PDSS to work with.
|
||||
*
|
||||
* @return returns a pointer to the base %PDSS object type
|
||||
* @return returns a pointer to the base PDSS object type
|
||||
*/
|
||||
virtual PDSS* duplMyselfAsPDSS() const;
|
||||
|
||||
|
|
@ -231,7 +231,7 @@ public:
|
|||
* This routine is a precursor to constructPDSSXML(XML_Node*)
|
||||
* routine, which does most of the work.
|
||||
*
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spindex Species index within the phase
|
||||
|
|
|
|||
|
|
@ -27,7 +27,7 @@ namespace Cantera
|
|||
* support thermodynamic calculations (see \ref thermoprops).
|
||||
*/
|
||||
|
||||
//! Class %Phase is the base class for phases of matter, managing the species and elements in a phase, as well as the
|
||||
//! Class Phase is the base class for phases of matter, managing the species and elements in a phase, as well as the
|
||||
//! independent variables of temperature, mass density, species mass/mole fraction,
|
||||
//! and other generalized forces and intrinsic properties (such as electric potential)
|
||||
//! that define the thermodynamic state.
|
||||
|
|
|
|||
|
|
@ -60,7 +60,7 @@ namespace Cantera
|
|||
*
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* All species are defined to have standard states that depend upon both
|
||||
|
|
@ -154,7 +154,7 @@ namespace Cantera
|
|||
*
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* \f$ C^a_k\f$ are defined such that \f$ a_k = C^a_k /
|
||||
|
|
@ -224,7 +224,7 @@ namespace Cantera
|
|||
* \exp(\frac{\mu^{ref}_l - \mu^{ref}_j - \mu^{ref}_k}{R T} ) * \frac{P_{ref}}{RT}
|
||||
* \f]
|
||||
*
|
||||
* %Kinetics managers will calculate the concentration equilibrium constant, \f$ K_c \f$,
|
||||
* Kinetics managers will calculate the concentration equilibrium constant, \f$ K_c \f$,
|
||||
* using the second and third part of the above expression as a definition for the concentration
|
||||
* equilibrium constant.
|
||||
*
|
||||
|
|
@ -260,7 +260,7 @@ namespace Cantera
|
|||
* <HR>
|
||||
*
|
||||
* The constructor for this phase is located in the default ThermoFactory
|
||||
* for %Cantera. A new %PhaseCombo_Interaction object may be created by the following code
|
||||
* for %Cantera. A new PhaseCombo_Interaction object may be created by the following code
|
||||
* snippet:
|
||||
*
|
||||
* @code
|
||||
|
|
|
|||
|
|
@ -32,7 +32,7 @@ namespace Cantera
|
|||
//! RedlichKisterVPSSTP is a derived class of GibbsExcessVPSSTP that employs
|
||||
//! the Redlich-Kister approximation for the excess gibbs free energy
|
||||
/*!
|
||||
* %RedlichKisterVPSSTP derives from class GibbsExcessVPSSTP which is derived
|
||||
* RedlichKisterVPSSTP derives from class GibbsExcessVPSSTP which is derived
|
||||
* from VPStandardStateTP, and overloads the virtual methods defined there with ones that
|
||||
* use expressions appropriate for the Redlich Kister Excess gibbs free energy approximation.
|
||||
*
|
||||
|
|
@ -56,7 +56,7 @@ namespace Cantera
|
|||
*
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* All species are defined to have standard states that depend upon both
|
||||
|
|
@ -152,7 +152,7 @@ namespace Cantera
|
|||
* \f]
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* \f$ C^a_k\f$ are defined such that \f$ a_k = C^a_k /
|
||||
|
|
|
|||
|
|
@ -263,7 +263,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file SingleSpeciesTP.h
|
||||
* Header for the %SingleSpeciesTP class, which is a filter class for %ThermoPhase,
|
||||
* Header for the SingleSpeciesTP class, which is a filter class for ThermoPhase,
|
||||
* that eases the construction of single species phases
|
||||
* ( see \ref thermoprops and class \link Cantera::SingleSpeciesTP SingleSpeciesTP\endlink).
|
||||
*
|
||||
|
|
@ -30,7 +30,7 @@ namespace Cantera
|
|||
* thermodynamic functions or the equation of state of the
|
||||
* phase. Therefore it's an incomplete description of
|
||||
* the thermodynamics. The complete description must be
|
||||
* made in a derived class of %SingleSpeciesTP.
|
||||
* made in a derived class of SingleSpeciesTP.
|
||||
*
|
||||
* Several different groups of thermodynamic functions are resolved
|
||||
* at this level by this class. For example, All partial molar property
|
||||
|
|
|
|||
|
|
@ -52,23 +52,23 @@ class SpeciesThermoInterpType;
|
|||
* for a family of classes that compute properties of all
|
||||
* species in a phase in their reference states, for a range of temperatures.
|
||||
* Note, the pressure dependence of the species thermodynamic functions is not
|
||||
* handled by this particular species thermodynamic model. %SpeciesThermo
|
||||
* handled by this particular species thermodynamic model. SpeciesThermo
|
||||
* calculates the reference-state thermodynamic values of all species in a single
|
||||
* phase during each call. The vector nature of the operation leads to
|
||||
* a lower operation count and better efficiency, especially if the
|
||||
* individual reference state classes are known to the reference-state
|
||||
* manager class so that common operations may be grouped together.
|
||||
*
|
||||
* The most important member function for the %SpeciesThermo class
|
||||
* The most important member function for the SpeciesThermo class
|
||||
* is the member function \link SpeciesThermo::update() update()\endlink.
|
||||
* The function calculates the values of Cp, H, and S for all of the
|
||||
* species at once at the specified temperature.
|
||||
*
|
||||
* Usually, all of the species in a phase are installed into a %SpeciesThermo
|
||||
* class. However, there is no requirement that a %SpeciesThermo
|
||||
* Usually, all of the species in a phase are installed into a SpeciesThermo
|
||||
* class. However, there is no requirement that a SpeciesThermo
|
||||
* object handles all of the species in a phase. There are
|
||||
* two member functions that are called to install each species into
|
||||
* the %SpeciesThermo.
|
||||
* the SpeciesThermo.
|
||||
* One routine is called \link SpeciesThermo::install() install()\endlink.
|
||||
* It is called with the index of the species in the phase,
|
||||
* an integer type delineating
|
||||
|
|
@ -79,9 +79,9 @@ class SpeciesThermoInterpType;
|
|||
* It accepts as an argument a pointer to an already formed
|
||||
* SpeciesThermoInterpType object.
|
||||
*
|
||||
* The following classes inherit from %SpeciesThermo. Each of these classes
|
||||
* The following classes inherit from SpeciesThermo. Each of these classes
|
||||
* handle multiple species, usually all of the species in a phase. However,
|
||||
* there is no requirement that a %SpeciesThermo object handles all of the
|
||||
* there is no requirement that a SpeciesThermo object handles all of the
|
||||
* species in a phase.
|
||||
*
|
||||
* - NasaThermo in file NasaThermo.h
|
||||
|
|
@ -101,7 +101,7 @@ class SpeciesThermoInterpType;
|
|||
* The class SpeciesThermoInterpType is a pure virtual base class for
|
||||
* calculation of thermodynamic functions for a single species
|
||||
* in its reference state.
|
||||
* The following classes inherit from %SpeciesThermoInterpType.
|
||||
* The following classes inherit from SpeciesThermoInterpType.
|
||||
*
|
||||
* - NasaPoly1 in file NasaPoly1.h
|
||||
* - This is a one zone model, consisting of a 7
|
||||
|
|
@ -128,13 +128,13 @@ class SpeciesThermoInterpType;
|
|||
* - This is a multiple zone model, consisting of the 9
|
||||
* coefficient Nasa Polynomial format in each zone.
|
||||
*
|
||||
* In particular the NasaThermo %SpeciesThermo-derived model has been
|
||||
* In particular the NasaThermo SpeciesThermo-derived model has been
|
||||
* optimized for execution speed. It's the main-stay of gas phase computations
|
||||
* involving large numbers of species in a phase. It combines the calculation
|
||||
* of each species, which individually have NasaPoly2 representations, to
|
||||
* minimize the computational time.
|
||||
*
|
||||
* The GeneralSpeciesThermo %SpeciesThermo object is completely general. It
|
||||
* The GeneralSpeciesThermo SpeciesThermo object is completely general. It
|
||||
* does not try to coordinate the individual species calculations at all and
|
||||
* therefore is the slowest but most general implementation.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -136,7 +136,7 @@ public:
|
|||
* @param k Species number
|
||||
* @param speciesNode Reference to the XML node specifying the species
|
||||
* standard state information
|
||||
* @param th_ptr Pointer to the %ThermoPhase object for the species
|
||||
* @param th_ptr Pointer to the ThermoPhase object for the species
|
||||
* @param spthermo Species reference state thermo manager
|
||||
* @param phaseNode_ptr Optional pointer to the XML phase information for
|
||||
* the phase in which the species resides
|
||||
|
|
@ -177,7 +177,7 @@ private:
|
|||
//! Pointer to the sole instance of this class, which is static
|
||||
static SpeciesThermoFactory* s_factory;
|
||||
|
||||
//! Decl of the static mutex variable that locks the %SpeciesThermo factory singleton
|
||||
//! Decl of the static mutex variable that locks the SpeciesThermo factory singleton
|
||||
static mutex_t species_thermo_mutex;
|
||||
|
||||
//! Constructor. This is made private, so that only the static
|
||||
|
|
|
|||
|
|
@ -23,7 +23,7 @@ class VPSSMgr;
|
|||
/**
|
||||
* @defgroup spthermo Species Reference-State Thermodynamic Properties
|
||||
*
|
||||
* The %ThermoPhase object relies on classes to calculate the thermodynamic
|
||||
* The ThermoPhase object relies on classes to calculate the thermodynamic
|
||||
* properties of the reference state for all of the species in the phase.
|
||||
* This group describes the types and functionality of the classes that
|
||||
* calculate the reference state thermodynamic functions within %Cantera.
|
||||
|
|
@ -66,14 +66,14 @@ class VPSSMgr;
|
|||
* for a family of classes that compute properties of all
|
||||
* species in a phase in their reference states, for a range of temperatures.
|
||||
* Note, the pressure dependence of the species thermodynamic functions is not
|
||||
* handled by this particular species thermodynamic model. %SpeciesThermo
|
||||
* handled by this particular species thermodynamic model. SpeciesThermo
|
||||
* calculates the reference-state thermodynamic values of all species in a single
|
||||
* phase during each call.
|
||||
*
|
||||
* The class SpeciesThermoInterpType is a pure virtual base class for
|
||||
* calculation of thermodynamic functions for a single species
|
||||
* in its reference state.
|
||||
* The following classes inherit from %SpeciesThermoInterpType.
|
||||
* The following classes inherit from SpeciesThermoInterpType.
|
||||
*
|
||||
* - NasaPoly1 in file NasaPoly1.h
|
||||
* - This is a one zone model, consisting of a 7
|
||||
|
|
|
|||
|
|
@ -49,13 +49,13 @@ public:
|
|||
*/
|
||||
StoichSubstance& operator=(const StoichSubstance& right);
|
||||
|
||||
//! Duplicator from the %ThermoPhase parent class
|
||||
//! Duplicator from the ThermoPhase parent class
|
||||
/*
|
||||
* Given a pointer to a %ThermoPhase object, this function will
|
||||
* duplicate the %ThermoPhase object and all underlying structures.
|
||||
* Given a pointer to a ThermoPhase object, this function will
|
||||
* duplicate the ThermoPhase object and all underlying structures.
|
||||
* This is basically a wrapper around the copy constructor.
|
||||
*
|
||||
* @return returns a pointer to a %ThermoPhase
|
||||
* @return returns a pointer to a ThermoPhase
|
||||
*/
|
||||
ThermoPhase* duplMyselfAsThermoPhase() const;
|
||||
|
||||
|
|
|
|||
|
|
@ -18,14 +18,14 @@
|
|||
namespace Cantera
|
||||
{
|
||||
|
||||
//! Class %StoichSubstanceSSTP represents a stoichiometric (fixed
|
||||
//! Class StoichSubstanceSSTP represents a stoichiometric (fixed
|
||||
//! composition) incompressible substance.
|
||||
/*!
|
||||
* This class internally changes the independent degree of freedom from
|
||||
* density to pressure. This is necessary because the phase is
|
||||
* incompressible. It uses a constant volume approximation.
|
||||
*
|
||||
* <b> Specification of Species Standard %State Properties </b>
|
||||
* <b> Specification of Species Standard State Properties </b>
|
||||
*
|
||||
* This class inherits from SingleSpeciesTP.
|
||||
* It is assumed that the reference state thermodynamics may be
|
||||
|
|
@ -68,7 +68,7 @@ namespace Cantera
|
|||
* All solution properties are obtained from the standard state
|
||||
* species functions, since there is only one species in the phase.
|
||||
*
|
||||
* <b> Application within %Kinetics Managers </b>
|
||||
* <b> Application within Kinetics Managers </b>
|
||||
*
|
||||
* The standard concentration is equal to 1.0. This means that the
|
||||
* kinetics operator works on an (activities basis). Since this
|
||||
|
|
@ -91,7 +91,7 @@ namespace Cantera
|
|||
* <b> Instantiation of the Class </b>
|
||||
*
|
||||
* The constructor for this phase is NOT located in the default ThermoFactory
|
||||
* for %Cantera. However, a new %StoichSubstanceSSTP may be created by
|
||||
* for %Cantera. However, a new StoichSubstanceSSTP may be created by
|
||||
* the following code snippets:
|
||||
*
|
||||
* @code
|
||||
|
|
@ -322,7 +322,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
|
|||
|
|
@ -76,7 +76,7 @@ namespace Cantera
|
|||
* s_k(T,P) = s^o_k(T) - R \log(\theta_k)
|
||||
* \f]
|
||||
*
|
||||
* <b> %Application within %Kinetics Managers </b>
|
||||
* <b> %Application within Kinetics Managers </b>
|
||||
*
|
||||
* The activity concentration,\f$ C^a_k \f$, used by the kinetics manager, is equal to
|
||||
* the actual concentration, \f$ C^s_k \f$, and is given by the following
|
||||
|
|
@ -187,13 +187,13 @@ public:
|
|||
*/
|
||||
SurfPhase& operator=(const SurfPhase& right);
|
||||
|
||||
//! Duplicator from the %ThermoPhase parent class
|
||||
//! Duplicator from the ThermoPhase parent class
|
||||
/*
|
||||
* Given a pointer to a %ThermoPhase object, this function will
|
||||
* duplicate the %ThermoPhase object and all underlying structures.
|
||||
* Given a pointer to a ThermoPhase object, this function will
|
||||
* duplicate the ThermoPhase object and all underlying structures.
|
||||
* This is basically a wrapper around the copy constructor.
|
||||
*
|
||||
* @return returns a pointer to a %ThermoPhase
|
||||
* @return returns a pointer to a ThermoPhase
|
||||
*/
|
||||
ThermoPhase* duplMyselfAsThermoPhase() const;
|
||||
|
||||
|
|
@ -367,7 +367,7 @@ public:
|
|||
* @param thermoData Reference to an XML_Node named thermo
|
||||
* containing the equation-of-state data. The
|
||||
* XML_Node is within the phase XML_Node describing
|
||||
* the %SurfPhase object.
|
||||
* the SurfPhase object.
|
||||
*
|
||||
* An example of the contents of the thermoData XML_Node is provided
|
||||
* below. The units attribute is used to supply the units of the
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file ThermoFactory.h
|
||||
* Headers for the factory class that can create known %ThermoPhase objects
|
||||
* Headers for the factory class that can create known ThermoPhase objects
|
||||
* (see \ref thermoprops and class \link Cantera::ThermoFactory ThermoFactory\endlink).
|
||||
*
|
||||
*/
|
||||
|
|
@ -24,8 +24,8 @@ class VPSSMgr;
|
|||
/*!
|
||||
* @addtogroup thermoprops
|
||||
*
|
||||
* Standard %ThermoPhase objects may be instantiated by calling
|
||||
* the main %Cantera factory class for %ThermoPhase objects; This class is called ThermoFactory.
|
||||
* Standard ThermoPhase objects may be instantiated by calling
|
||||
* the main %Cantera factory class for ThermoPhase objects; This class is called ThermoFactory.
|
||||
*/
|
||||
//@{
|
||||
|
||||
|
|
@ -173,7 +173,7 @@ ThermoPhase* newPhase(const std::string& infile, std::string id="");
|
|||
* variable parameterizations for the specification of the
|
||||
* species standard states, the equation of state, and the
|
||||
* specification of other nonidealities. Below, a description
|
||||
* is presented of the main algorithm for bringing up a %ThermoPhase
|
||||
* is presented of the main algorithm for bringing up a ThermoPhase
|
||||
* object, with care to present points where customizations
|
||||
* occur.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -34,7 +34,7 @@ const int cAC_CONVENTION_MOLALITY = 1;
|
|||
const int cSS_CONVENTION_TEMPERATURE = 0;
|
||||
//! Standard state uses the molality convention
|
||||
const int cSS_CONVENTION_VPSS = 1;
|
||||
//! Standard state thermodynamics is obtained from slave %ThermoPhase objects
|
||||
//! Standard state thermodynamics is obtained from slave ThermoPhase objects
|
||||
const int cSS_CONVENTION_SLAVE = 2;
|
||||
//@}
|
||||
|
||||
|
|
@ -57,7 +57,7 @@ const int cSS_CONVENTION_SLAVE = 2;
|
|||
* those of class Phase do not, since they only involve data values
|
||||
* stored within the object.
|
||||
*
|
||||
* Instances of subclasses of %ThermoPhase should be created using
|
||||
* Instances of subclasses of ThermoPhase should be created using
|
||||
* the factory class ThermoFactory, not by calling the constructor
|
||||
* directly. This allows new classes to be used with the various
|
||||
* Cantera language interfaces.
|
||||
|
|
@ -105,7 +105,7 @@ public:
|
|||
//! Destructor. Deletes the species thermo manager.
|
||||
virtual ~ThermoPhase();
|
||||
|
||||
//!Copy Constructor for the %ThermoPhase object.
|
||||
//!Copy Constructor for the ThermoPhase object.
|
||||
/*!
|
||||
* @param right ThermoPhase to be copied
|
||||
*/
|
||||
|
|
@ -113,16 +113,16 @@ public:
|
|||
|
||||
//! Assignment operator
|
||||
/*!
|
||||
* @param right Reference to %ThermoPhase object to be copied into the
|
||||
* @param right Reference to ThermoPhase object to be copied into the
|
||||
* current one.
|
||||
*/
|
||||
ThermoPhase& operator=(const ThermoPhase& right);
|
||||
|
||||
//! Duplication routine for objects which inherit from ThermoPhase.
|
||||
/*!
|
||||
* This virtual routine can be used to duplicate %ThermoPhase objects
|
||||
* inherited from %ThermoPhase even if the application only has
|
||||
* a pointer to %ThermoPhase to work with.
|
||||
* This virtual routine can be used to duplicate ThermoPhase objects
|
||||
* inherited from ThermoPhase even if the application only has
|
||||
* a pointer to ThermoPhase to work with.
|
||||
*
|
||||
* These routines are basically wrappers around the derived copy
|
||||
* constructor.
|
||||
|
|
@ -399,7 +399,7 @@ public:
|
|||
* cSS_CONVENTION_VPSS 1
|
||||
*
|
||||
* - Thermodynamics is set via slave ThermoPhase objects with
|
||||
* nothing being carried out at this %ThermoPhase object level
|
||||
* nothing being carried out at this ThermoPhase object level
|
||||
* cSS_CONVENTION_SLAVE 2
|
||||
*/
|
||||
virtual int standardStateConvention() const;
|
||||
|
|
@ -463,7 +463,7 @@ public:
|
|||
* units are needed. Usually, MKS units are assumed throughout
|
||||
* the program and in the XML input files.
|
||||
*
|
||||
* The base %ThermoPhase class assigns the default quantities
|
||||
* The base ThermoPhase class assigns the default quantities
|
||||
* of (kmol/m3) for all species.
|
||||
* Inherited classes are responsible for overriding the default
|
||||
* values if necessary.
|
||||
|
|
@ -1256,7 +1256,7 @@ public:
|
|||
*
|
||||
* These methods are only implemented by subclasses that
|
||||
* implement full liquid-vapor equations of state. They may be
|
||||
* moved out of %ThermoPhase at a later date.
|
||||
* moved out of ThermoPhase at a later date.
|
||||
*/
|
||||
//@{
|
||||
|
||||
|
|
@ -1302,7 +1302,7 @@ public:
|
|||
//@}
|
||||
|
||||
|
||||
//! @name Initialization Methods - For Internal Use (%ThermoPhase)
|
||||
//! @name Initialization Methods - For Internal Use (ThermoPhase)
|
||||
/*!
|
||||
* The following methods are used in the process of constructing
|
||||
* the phase and setting its parameters from a specification in an
|
||||
|
|
@ -1550,7 +1550,7 @@ public:
|
|||
/*!
|
||||
* Implementations should take the derivative of the logarithm of the activity coefficient with respect to a
|
||||
* species log mole number (with all other species mole numbers held constant). The default treatment in the
|
||||
* %ThermoPhase object is to set this vector to zero.
|
||||
* ThermoPhase object is to set this vector to zero.
|
||||
*
|
||||
* units = 1 / kmol
|
||||
*
|
||||
|
|
|
|||
|
|
@ -87,18 +87,18 @@ class PDSS;
|
|||
*
|
||||
* - ThermoPhase
|
||||
* - \link Cantera::ThermoPhase::m_spthermo m_spthermo\endlink
|
||||
* This is a pointer to a %SpeciesThermo manager class that
|
||||
* This is a pointer to a SpeciesThermo manager class that
|
||||
* handles the reference %state Thermodynamic calculations.
|
||||
* - VPStandardStateTP (inherits from %ThermoPhase)
|
||||
* - VPStandardStateTP (inherits from ThermoPhase)
|
||||
* - \link Cantera::ThermoPhase::m_spthermo m_spthermo\endlink
|
||||
* %SpeciesThermo manager handling reference %state Thermodynamic calculations.
|
||||
* SpeciesThermo manager handling reference %state Thermodynamic calculations.
|
||||
* may or may not be used by the VPSSMgr class. For species
|
||||
* which don't have a reference state class defined, a default
|
||||
* class, called STITbyPDSS which is installed into the SpeciesThermo
|
||||
* class, actually calculates reference state
|
||||
* thermo by calling a PDSS object.
|
||||
* - \link Cantera::VPStandardStateTP::m_VPSS_ptr m_VPSS_ptr\endlink
|
||||
* This is a pointer to a %VPSSMgr class which handles the
|
||||
* This is a pointer to a VPSSMgr class which handles the
|
||||
* standard %state thermo calculations. It may
|
||||
* or may not use the pointer, m_spthermo, in its calculations.
|
||||
*
|
||||
|
|
@ -179,7 +179,7 @@ class PDSS;
|
|||
* <\phase>
|
||||
* @endcode
|
||||
*
|
||||
* The "General" option will cause the VPSSMgr_General %VPSSMgr class to be
|
||||
* The "General" option will cause the VPSSMgr_General VPSSMgr class to be
|
||||
* used. In this manager, the calculations are all handled at the PDSS object
|
||||
* level. This is completely general, but, may be significantly slower.
|
||||
*
|
||||
|
|
@ -237,7 +237,7 @@ class VPSSMgr
|
|||
public:
|
||||
//! Constructor
|
||||
/*!
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
* @param spth Pointer to the optional SpeciesThermo object
|
||||
* that will handle the calculation of the reference
|
||||
|
|
|
|||
|
|
@ -28,7 +28,7 @@ class VPSSMgr_Water_HKFT : public VPSSMgr
|
|||
public:
|
||||
//! Constructor
|
||||
/*!
|
||||
* @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
|
||||
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
|
||||
* This object must have already been malloced.
|
||||
*
|
||||
* @param spth Pointer to the optional SpeciesThermo object
|
||||
|
|
|
|||
|
|
@ -56,7 +56,7 @@ class VPStandardStateTP : public ThermoPhase
|
|||
{
|
||||
|
||||
public:
|
||||
//! @name Constructors and Duplicators for %VPStandardStateTP
|
||||
//! @name Constructors and Duplicators for VPStandardStateTP
|
||||
|
||||
/// Constructor.
|
||||
VPStandardStateTP();
|
||||
|
|
|
|||
|
|
@ -105,7 +105,7 @@ namespace Cantera
|
|||
* however, the thermodynamic basis is set to that used in the steam tables.
|
||||
* (u = s = 0 for liquid water at the triple point).
|
||||
*
|
||||
* This class is not a %ThermoPhase. However, it does maintain an internal
|
||||
* This class is not a ThermoPhase. However, it does maintain an internal
|
||||
* state of the object that is dependent on temperature and density. The
|
||||
* internal state is characterized by an internally stored \f$ \tau\f$ and a
|
||||
* \f$ \delta \f$ value, and an iState value, which indicates whether the
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file WaterSSTP.h
|
||||
* Declares a %ThermoPhase class consisting of pure water (see \ref thermoprops
|
||||
* Declares a ThermoPhase class consisting of pure water (see \ref thermoprops
|
||||
* and class \link Cantera::WaterSSTP WaterSSTP\endlink).
|
||||
*/
|
||||
/*
|
||||
|
|
@ -27,7 +27,7 @@ class WaterProps;
|
|||
* J. Phys. Chem. Ref. Dat, 31, 387, 2002.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Specification of Species Standard %State Properties </H2>
|
||||
* <H2> Specification of Species Standard State Properties </H2>
|
||||
* <HR>
|
||||
*
|
||||
* The offsets used in the steam tables are different than NIST's.
|
||||
|
|
@ -64,7 +64,7 @@ class WaterProps;
|
|||
* So(1bar) = S(P0) + RT ln(1bar/P0)
|
||||
*
|
||||
* <HR>
|
||||
* <H2> %Application within %Kinetics Managers </H2>
|
||||
* <H2> %Application within Kinetics Managers </H2>
|
||||
* <HR>
|
||||
*
|
||||
* This is unimplemented.
|
||||
|
|
@ -74,7 +74,7 @@ class WaterProps;
|
|||
* <HR>
|
||||
*
|
||||
* The constructor for this phase is NOT located in the default ThermoFactory
|
||||
* for %Cantera. However, a new %WaterSSTP object may be created by
|
||||
* for %Cantera. However, a new WaterSSTP object may be created by
|
||||
* the following code snippets, combined with an XML file given in the
|
||||
* XML example section.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -76,7 +76,7 @@ public:
|
|||
* object after this copy. The routine initialize() must be called after this
|
||||
* routine to complete the copy.
|
||||
*
|
||||
* @param right Reference to %DustyGasTransport object to be copied
|
||||
* @param right Reference to DustyGasTransport object to be copied
|
||||
* into the current one.
|
||||
*/
|
||||
DustyGasTransport& operator=(const DustyGasTransport& right);
|
||||
|
|
|
|||
|
|
@ -105,7 +105,7 @@ const VelocityBasis VB_SPECIES_3 = 3;
|
|||
* if called.
|
||||
*
|
||||
* <HR>
|
||||
* <H2> Relationship of the %Transport class to the ThermoPhase Class </H2>
|
||||
* <H2> Relationship of the Transport class to the ThermoPhase Class </H2>
|
||||
* <HR>
|
||||
*
|
||||
* This section describes how calculations are carried out within
|
||||
|
|
|
|||
|
|
@ -71,7 +71,7 @@ public:
|
|||
* @param trNode XML node
|
||||
* @param name reference to the name
|
||||
* @param tp_ind TransportPropertyType class
|
||||
* @param thermo Pointer to the %ThermoPhase class
|
||||
* @param thermo Pointer to the ThermoPhase class
|
||||
*/
|
||||
virtual LTPspecies* newLTP(const XML_Node& trNode, const std::string& name,
|
||||
TransportPropertyType tp_ind, thermo_t* thermo);
|
||||
|
|
@ -281,7 +281,7 @@ private:
|
|||
*
|
||||
* @param transport_database Reference to a vector of pointers containing the
|
||||
* transport database for each species
|
||||
* @param thermo Pointer to the %ThermoPhase object
|
||||
* @param thermo Pointer to the ThermoPhase object
|
||||
* @param mode Mode -> Either it's CK_Mode, chemkin compatibility mode, or it is not
|
||||
* We usually run with chemkin compatibility mode turned off.
|
||||
* @param log_level log level
|
||||
|
|
@ -293,7 +293,7 @@ private:
|
|||
//! Prepare to build a new transport manager for liquids assuming that
|
||||
//! viscosity transport data is provided in Arrhenius form.
|
||||
/*!
|
||||
* @param thermo Pointer to the %ThermoPhase object
|
||||
* @param thermo Pointer to the ThermoPhase object
|
||||
* @param log_level log level
|
||||
* @param trParam LiquidTransportParams structure to be filled up with information
|
||||
*/
|
||||
|
|
@ -301,7 +301,7 @@ private:
|
|||
|
||||
//! Prepare to build a new transport manager for solids
|
||||
/*!
|
||||
* @param thermo Pointer to the %ThermoPhase object
|
||||
* @param thermo Pointer to the ThermoPhase object
|
||||
* @param log_level log level
|
||||
* @param trParam SolidTransportData structure to be filled up with information
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
/**
|
||||
* @file DebyeHuckel.cpp
|
||||
* Declarations for the %DebyeHuckel ThermoPhase object, which models dilute
|
||||
* Declarations for the DebyeHuckel ThermoPhase object, which models dilute
|
||||
* electrolyte solutions
|
||||
* (see \ref thermoprops and \link Cantera::DebyeHuckel DebyeHuckel \endlink).
|
||||
*
|
||||
* Class %DebyeHuckel represents a dilute liquid electrolyte phase which
|
||||
* Class DebyeHuckel represents a dilute liquid electrolyte phase which
|
||||
* obeys the Debye Huckel formulation for nonideality.
|
||||
*/
|
||||
/*
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
/**
|
||||
* @file HMWSoln.cpp
|
||||
* Definitions for the %HMWSoln ThermoPhase object, which
|
||||
* Definitions for the HMWSoln ThermoPhase object, which
|
||||
* models concentrated electrolyte solutions
|
||||
* (see \ref thermoprops and \link Cantera::HMWSoln HMWSoln \endlink) .
|
||||
*
|
||||
* Class %HMWSoln represents a concentrated liquid electrolyte phase which
|
||||
* Class HMWSoln represents a concentrated liquid electrolyte phase which
|
||||
* obeys the Pitzer formulation for nonideality using molality-based
|
||||
* standard states.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file HMWSoln_input.cpp
|
||||
* Definitions for the %HMWSoln ThermoPhase object, which models concentrated
|
||||
* Definitions for the HMWSoln ThermoPhase object, which models concentrated
|
||||
* electrolyte solutions
|
||||
* (see \ref thermoprops and \link Cantera::HMWSoln HMWSoln \endlink) .
|
||||
*
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file MetalSHEelectrons.cpp
|
||||
* Definition file for the %MetalSHEElectrons class, which represents the
|
||||
* Definition file for the MetalSHEElectrons class, which represents the
|
||||
* electrons in a metal that are consistent with the
|
||||
* SHE electrode (see \ref thermoprops and
|
||||
* class \link Cantera::MetalSHEelectrons MetalSHEelectrons\endlink)
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file SingleSpeciesTP.cpp
|
||||
* Definitions for the %SingleSpeciesTP class, which is a filter class for %ThermoPhase,
|
||||
* Definitions for the SingleSpeciesTP class, which is a filter class for ThermoPhase,
|
||||
* that eases the construction of single species phases
|
||||
* ( see \ref thermoprops and class \link Cantera::SingleSpeciesTP SingleSpeciesTP\endlink).
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file ThermoFactory.cpp
|
||||
* Definitions for the factory class that can create known %ThermoPhase objects
|
||||
* Definitions for the factory class that can create known ThermoPhase objects
|
||||
* (see \ref thermoprops and class \link Cantera::ThermoFactory ThermoFactory\endlink).
|
||||
*/
|
||||
// Copyright 2001 California Institute of Technology
|
||||
|
|
|
|||
|
|
@ -138,7 +138,7 @@ private:
|
|||
static VPSSMgrFactory* s_factory;
|
||||
|
||||
//! Decl of the static mutex variable that locks the
|
||||
//! %VPSSMgr factory singleton
|
||||
//! VPSSMgr factory singleton
|
||||
static mutex_t vpss_species_thermo_mutex;
|
||||
|
||||
//! Constructor. This is made private, so that only the static
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
/**
|
||||
* @file WaterSSTP.cpp
|
||||
* Definitions for a %ThermoPhase class consisting of pure water (see \ref thermoprops
|
||||
* Definitions for a ThermoPhase class consisting of pure water (see \ref thermoprops
|
||||
* and class \link Cantera::WaterSSTP WaterSSTP\endlink).
|
||||
*/
|
||||
/*
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue