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Clean up doxygen comments for SpeciesThermoInterpType classes

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This commit is contained in:
Ray Speth 2015-10-22 19:01:40 -04:00
parent 75b0c71044
commit 78b471fbf9
9 changed files with 269 additions and 493 deletions
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16
include/cantera/thermo/AdsorbateThermo.h
View file

@ -1,10 +1,10 @@
/**
* @file AdsorbateThermo.h
* @file AdsorbateThermo.h
*
* Header for a single-species standard
* state object derived from \link Cantera::SpeciesThermoInterpType
* SpeciesThermoInterpType\endlink based on the expressions for the
* thermo properties of a species with several vibrational models.
* Header for a single-species standard state object derived from \link
* Cantera::SpeciesThermoInterpType SpeciesThermoInterpType\endlink based on the
* expressions for the thermo properties of a species with several vibrational
* models.
*/
// Copyright 2007 California Institute of Technology
@ -20,9 +20,9 @@ namespace Cantera
* An adsorbed surface species.
*
* This class is designed specifically for use by the class
* GeneralSpeciesThermo. It implements a model for the
* thermodynamic properties of a molecule that can be modeled as a
* set of independent quantum harmonic oscillators.
* GeneralSpeciesThermo. It implements a model for the thermodynamic properties
* of a molecule that can be modeled as a set of independent quantum harmonic
* oscillators.
*
* @ingroup spthermo
*/

30
include/cantera/thermo/ConstCpPoly.h
View file

@ -15,11 +15,10 @@ namespace Cantera
{
/**
* A constant-heat capacity species thermodynamic property manager class.
* This makes the
* assumption that the heat capacity is a constant. Then, the following
* relations are used to complete the specification of the thermodynamic
* functions for the species.
* A constant-heat capacity species thermodynamic property manager class. This
* makes the assumption that the heat capacity is a constant. Then, the
* following relations are used to complete the specification of the
* thermodynamic functions for the species.
*
* \f[
* \frac{c_p(T)}{R} = Cp0\_R
@ -50,9 +49,9 @@ public:
* @param tlow Minimum temperature
* @param thigh Maximum temperature
* @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.
* @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.
* - 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)
@ -67,20 +66,12 @@ public:
return CONSTANT_CP;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the functions of
* temperature needed by this parameterization, and three pointers to arrays where the
* computed property values should be written. This method updates only one value in
* each array.
* @copydoc SpeciesThermoInterpType::updateProperties
*
* Form and Length of the temperature polynomial:
* - m_t[0] = tt;
*
* @param tt Vector of temperature polynomials
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT,
@ -93,11 +84,6 @@ public:
doublereal& tlow, doublereal& thigh,
doublereal& pref,
doublereal* const coeffs) const;
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs);
virtual doublereal reportHf298(doublereal* const h298 = 0) const;

143
include/cantera/thermo/Mu0Poly.h
View file

@ -15,23 +15,22 @@ namespace Cantera
class SpeciesThermo;
class XML_Node;
//! The Mu0Poly class implements an interpolation of the Gibbs free energy based on a
//! piecewise constant heat capacity approximation.
//! 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.
* 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$)
* values. The first temperature is assumed to be equal
* to 298.15 K; however, this may be relaxed in the future.
* This information, and an assumption of a constant
* heat capacity within each interval is enough to
* calculate all thermodynamic functions.
* The Mu0Poly class implements a piecewise constant heat capacity
* approximation. of the standard state chemical potential of one species at a
* single reference pressure. The chemical potential is input as a series of
* (\f$T\f$, \f$ \mu^o(T)\f$) values. The first temperature is assumed to be
* equal to 298.15 K; however, this may be relaxed in the future. This
* information, and an assumption of a constant heat capacity within each
* interval is enough to calculate all thermodynamic functions.
*
* The piece-wise constant heat capacity is calculated from the change in the chemical potential over each interval.
* Once the heat capacity is known, the other thermodynamic functions may be determined.
* The basic equation for going from temperature point 1 to temperature point 2
* are as follows for \f$ T \f$, \f$ T_1 <= T <= T_2 \f$
* The piece-wise constant heat capacity is calculated from the change in the
* chemical potential over each interval. Once the heat capacity is known, the
* other thermodynamic functions may be determined. The basic equation for going
* from temperature point 1 to temperature point 2 are as follows for \f$ T \f$,
* \f$ T_1 <= T <= T_2 \f$
*
* \f[
* \mu^o(T_1) = h^o(T_1) - T_1 * s^o(T_1)
@ -46,7 +45,8 @@ class XML_Node;
* h^o(T_2) = h^o(T_1) + Cp^o(T_1)(T_2 - T_1)
* \f]
*
* Within each interval the following relations are used. For \f$ T \f$, \f$ T_1 <= T <= T_2 \f$
* Within each interval the following relations are used. For \f$ T \f$, \f$
* T_1 <= T <= T_2 \f$
*
* \f[
* \mu^o(T) = \mu^o(T_1) + Cp^o(T_1)(T - T_1) - Cp^o(T_1)(T_2)ln(\frac{T}{T_1}) - s^o(T_1)(T - T_1)
@ -58,13 +58,12 @@ class XML_Node;
* h^o(T) = h^o(T_1) + Cp^o(T_1)(T - T_1)
* \f]
*
* Notes about temperature interpolation for \f$ T < T_1 \f$ and \f$ T > T_{npoints} \f$.
* These are achieved by assuming a constant heat capacity
* equal to the value in the closest temperature interval.
* No error is thrown.
* Notes about temperature interpolation for \f$ T < T_1 \f$ and \f$ T >
* T_{npoints} \f$: These are achieved by assuming a constant heat capacity
* equal to the value in the closest temperature interval. No error is thrown.
*
* @note In the future, a better assumption about the heat
* capacity may be employed, so that it can be continuous.
* @note In the future, a better assumption about the heat capacity may be
* employed, so that it can be continuous.
*
* @ingroup spthermo
*/
@ -79,22 +78,21 @@ public:
* In the constructor, we calculate and store the piecewise linear
* approximation to the thermodynamic functions.
*
* @param tlow Minimum temperature
* @param thigh Maximum temperature
* @param pref reference pressure (Pa).
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state for species n.
* There are \f$ 2+npoints*2 \f$ coefficients, where
* \f$ npoints \f$ are the number of temperature points.
* Their identity is further broken down:
* @param tlow Minimum temperature
* @param thigh Maximum temperature
* @param pref reference pressure (Pa).
* @param coeffs Vector of coefficients used to set the parameters for the
* standard state for species n. There are \f$ 2+npoints*2
* \f$ coefficients, where \f$ npoints \f$ are the number of
* temperature points. Their identity is further broken down:
* - coeffs[0] = number of points (integer)
* - coeffs[1] = \f$ h^o(298.15 K) \f$ (J/kmol)
* - coeffs[2] = \f$ T_1 \f$ (Kelvin)
* - coeffs[3] = \f$ \mu^o(T_1) \f$ (J/kmol)
* - coeffs[4] = \f$ T_2 \f$ (Kelvin)
* - coeffs[5] = \f$ \mu^o(T_2) \f$ (J/kmol)
* - coeffs[6] = \f$ T_3 \f$ (Kelvin)
* - coeffs[7] = \f$ \mu^o(T_3) \f$ (J/kmol)
* - coeffs[1] = \f$ h^o(298.15 K) \f$ (J/kmol)
* - coeffs[2] = \f$ T_1 \f$ (Kelvin)
* - coeffs[3] = \f$ \mu^o(T_1) \f$ (J/kmol)
* - coeffs[4] = \f$ T_2 \f$ (Kelvin)
* - coeffs[5] = \f$ \mu^o(T_2) \f$ (J/kmol)
* - coeffs[6] = \f$ T_3 \f$ (Kelvin)
* - coeffs[7] = \f$ \mu^o(T_3) \f$ (J/kmol)
* - ........
* .
*/
@ -107,23 +105,13 @@ public:
return MU0_INTERP;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the functions of
* temperature needed by this parameterization, and three pointers to arrays where the
* computed property values should be written. This method updates only one value in
* each array.
* @copydoc SpeciesThermoInterpType::updateProperties
*
* Temperature Polynomial:
*
* tPoly[0] = temp (Kelvin)
*
* @param tPoly vector of temperature polynomials. Length = 1
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
* tt[0] = temp (Kelvin)
*/
virtual void updateProperties(const doublereal* tPoly,
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const;
@ -136,33 +124,22 @@ public:
doublereal& pref,
doublereal* const coeffs) const;
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs);
protected:
/**
* Number of intervals in the interpolating linear approximation. Number
* of points is one more than the number of intervals.
*/
//! Number of intervals in the interpolating linear approximation. Number
//! of points is one more than the number of intervals.
size_t m_numIntervals;
/**
* Value of the enthalpy at T = 298.15. This value is tied to the Heat of
* formation of the species at 298.15.
*/
//! Value of the enthalpy at T = 298.15. This value is tied to the Heat of
//! formation of the species at 298.15.
doublereal m_H298;
//! Points at which the standard state chemical potential are given.
vector_fp m_t0_int;
/**
* Mu0's are primary input data. They aren't strictly
* needed, but are kept here for convenience.
*/
//! Mu0's are primary input data. They aren't strictly needed, but are kept
//! here for convenience.
vector_fp m_mu0_R_int;
//! Dimensionless Enthalpies at the temperature points
@ -177,36 +154,32 @@ protected:
private:
//! process the coefficients
/*!
* Mu0Poly():
*
* In the constructor, we calculate and store the piecewise linear
* approximation to the thermodynamic functions.
*
* @param coeffs coefficients. These are defined as follows:
*
* coeffs[0] = number of points (integer)
* 1 = H298(J/kmol)
* 2 = T1 (Kelvin)
* 3 = mu1 (J/kmol)
* 4 = T2 (Kelvin)
* 5 = mu2 (J/kmol)
* 6 = T3 (Kelvin)
* 7 = mu3 (J/kmol)
* ........
* - coeffs[0] = number of points (integer)
* - coeffs[1] = \f$ h^o(298.15 K) \f$ (J/kmol)
* - coeffs[2] = \f$ T_1 \f$ (Kelvin)
* - coeffs[3] = \f$ \mu^o(T_1) \f$ (J/kmol)
* - coeffs[4] = \f$ T_2 \f$ (Kelvin)
* - coeffs[5] = \f$ \mu^o(T_2) \f$ (J/kmol)
* - coeffs[6] = \f$ T_3 \f$ (Kelvin)
* - coeffs[7] = \f$ \mu^o(T_3) \f$ (J/kmol)
* - ........
*/
void processCoeffs(const doublereal* coeffs);
};
//! Install a Mu0 polynomial thermodynamic reference state
//! Install a Mu0 polynomial thermodynamic reference state
/*!
* Install a Mu0 polynomial thermodynamic reference state property
* parameterization for species k into a SpeciesThermo instance,
* getting the information from an XML database.
* parameterization for species k into a SpeciesThermo instance, getting the
* information from an XML database.
*
* @param Mu0Node Pointer to the XML element containing the
* Mu0 information.
* @param Mu0Node Pointer to the XML element containing the Mu0 information.
*
* @ingroup spthermo
* @ingroup spthermo
*/
Mu0Poly* newMu0ThermoFromXML(const XML_Node& Mu0Node);
}

115
include/cantera/thermo/Nasa9Poly1.h
View file

@ -1,13 +1,11 @@
/**
* @file Nasa9Poly1.h
* Header for a single-species standard state object derived
* from
* \link Cantera::SpeciesThermoInterpType SpeciesThermoInterpType\endlink based
* on the NASA 9 coefficient temperature polynomial form applied to
* one temperature region
* (see \ref spthermo and class \link Cantera::Nasa9Poly1 Nasa9Poly1\endlink).
* @file Nasa9Poly1.h Header for a single-species standard state object derived
* from \link Cantera::SpeciesThermoInterpType
* SpeciesThermoInterpType\endlink based on the NASA 9 coefficient
* temperature polynomial form applied to one temperature region (see \ref
* spthermo and class \link Cantera::Nasa9Poly1 Nasa9Poly1\endlink).
*
* This parameterization has one NASA temperature region.
* This parameterization has one NASA temperature region.
*/
/*
* Copyright (2006) Sandia Corporation. Under the terms of
@ -24,16 +22,13 @@ namespace Cantera
{
//! The NASA 9 polynomial parameterization for one temperature range.
/*!
* This parameterization expresses the heat capacity via a
* 7 coefficient polynomial.
* Note that this is the form used in the
* 2002 NASA equilibrium program. A reference to the form is
* provided below:
* This parameterization expresses the heat capacity via a 7 coefficient
* polynomial. Note that this is the form used in the 2002 NASA equilibrium
* program. A reference to the form is provided below:
*
* "NASA Glenn Coefficients for Calculating Thermodynamic
* Properties of Individual Species,"
* B. J. McBride, M. J. Zehe, S. Gordon
* NASA/TP-2002-211556, Sept. 2002
* "NASA Glenn Coefficients for Calculating Thermodynamic Properties of
* Individual Species," B. J. McBride, M. J. Zehe, S. Gordon
* NASA/TP-2002-211556, Sept. 2002
*
* Nine coefficients \f$(a_0,\dots,a_8)\f$ are used to represent
* \f$ C_p^0(T)\f$, \f$ H^0(T)\f$, and \f$ S^0(T) \f$ as
@ -54,16 +49,13 @@ namespace Cantera
* + a_3 T + \frac{a_4}{2} T^2 + \frac{a_5}{3} T^3 + \frac{a_6}{4} T^4 + a_8
* \f]
*
* The standard state is assumed to be an ideal gas at the
* standard pressure of 1 bar, for gases.
* For condensed species, the standard state is the
* pure crystalline or liquid substance at the standard
* pressure of 1 atm.
* The standard state is assumed to be an ideal gas at the standard pressure of
* 1 bar, for gases. For condensed species, the standard state is the pure
* crystalline or liquid substance at the standard pressure of 1 atm.
*
* 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
* regions.
* 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 regions.
*
* @ingroup spthermo
* @see Nasa9PolyMultiTempRegion
@ -92,58 +84,27 @@ public:
virtual size_t temperaturePolySize() const { return 7; }
virtual void updateTemperaturePoly(double T, double* T_poly) const;
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
* functions of temperature needed by this parameterization, and three
* pointers to arrays where the computed property values should be
* written. This method updates only one value in each array.
* @copydoc SpeciesThermoInterpType::updateProperties
*
* Temperature Polynomial:
* tt[0] = t;
* tt[1] = t*t;
* tt[2] = t*t*t;
* tt[3] = t*t*t*t;
* tt[4] = 1.0/t;
* tt[5] = 1.0/(t*t);
* tt[6] = std::log(t);
*
* @param tt vector of temperature polynomials
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
* - tt[0] = t;
* - tt[1] = t*t;
* - tt[2] = t*t*t;
* - tt[3] = t*t*t*t;
* - tt[4] = 1.0/t;
* - tt[5] = 1.0/(t*t);
* - tt[6] = std::log(t);
*/
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const;
//! Compute the reference-state property of one species
/*!
* Given temperature T in K, this method updates the values of the non-
* dimensional heat capacity at constant pressure, enthalpy, and entropy,
* at the reference pressure, Pref of one of the species. The species
* index is used to reference into the cp_R, h_RT, and s_R arrays.
*
* Temperature Polynomial:
* tt[0] = t;
* tt[1] = t*t;
* tt[2] = t*t*t;
* tt[3] = t*t*t*t;
* tt[4] = 1.0/t;
* tt[5] = 1.0/(t*t);
* tt[6] = std::log(t);
*
* @param temp Temperature (Kelvin)
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
virtual void updatePropertiesTemp(const doublereal temp,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const;
//!This utility function reports back the type of
//! parameterization and all of the parameters for the
//! species, index.
//! This utility function reports back the type of parameterization and all
//! of the parameters for the species
/*!
* All parameters are output variables
*
@ -152,25 +113,19 @@ public:
* @param tlow output - Minimum temperature
* @param thigh output - Maximum temperature
* @param pref output - reference pressure (Pa).
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state. There are
* 12 of them, designed to be compatible
* with the multiple temperature formulation.
* coeffs[0] is equal to one.
* coeffs[1] is min temperature
* coeffs[2] is max temperature
* coeffs[3+i] from i =0,9 are the coefficients themselves
* @param coeffs Vector of coefficients used to set the parameters for
* the standard state. There are 12 of them, designed to be compatible
* with the multiple temperature formulation.
* - coeffs[0] is equal to one.
* - coeffs[1] is min temperature
* - coeffs[2] is max temperature
* - coeffs[3+i] from i =0,9 are the coefficients themselves
*/
virtual void reportParameters(size_t& n, int& type,
doublereal& tlow, doublereal& thigh,
doublereal& pref,
doublereal* const coeffs) const;
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs);
protected:

96
include/cantera/thermo/Nasa9PolyMultiTempRegion.h
View file

@ -18,16 +18,15 @@
namespace Cantera
{
//! The NASA 9 polynomial parameterization for a single species
//! encompassing multiple temperature regions.
//! The NASA 9 polynomial parameterization for a single species encompassing
//! multiple temperature regions.
/*!
* The parameterization used in each temperature range is described in the
* documentation for class Nasa9Poly1.
*
* These NASA representations may have multiple temperature regions
* through the use of this Nasa9PolyMultiTempRegion object, which uses
* multiple copies of the Nasa9Poly1 object to handle multiple temperature
* regions.
* These NASA representations may have multiple temperature regions through the
* use of this Nasa9PolyMultiTempRegion object, which uses multiple copies of
* the Nasa9Poly1 object to handle multiple temperature regions.
*
* @ingroup spthermo
* @see Nasa9Poly1
@ -40,31 +39,19 @@ public:
//! Constructor used in templated instantiations
/*!
* @param regionPts Vector of pointers to Nasa9Poly1 objects. These
* objects all refer to the temperature regions for the
* same species. The vector must be in increasing
* temperature region format. Together they
* represent the reference temperature parameterization
* for a single species.
* @param regionPts Vector of pointers to Nasa9Poly1 objects. These objects
* all refer to the temperature regions for the same species. The vector
* must be in increasing temperature region format. Together they
* represent the reference temperature parameterization for a single
* species.
*
* Note, after the constructor, we will own the underlying
* Nasa9Poly1 objects and be responsible for owning them.
* Note, after the constructor, we will own the underlying Nasa9Poly1
* objects and be responsible for owning them.
*/
Nasa9PolyMultiTempRegion(std::vector<Nasa9Poly1*> &regionPts);
//! Copy constructor
/*!
* @param b object to be copied
*/
Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b);
//! Assignment operator
/*!
* @param b object to be copied
*/
Nasa9PolyMultiTempRegion& operator=(const Nasa9PolyMultiTempRegion& b);
//! Destructor
virtual ~Nasa9PolyMultiTempRegion();
virtual SpeciesThermoInterpType*
@ -75,60 +62,17 @@ public:
virtual size_t temperaturePolySize() const { return 7; }
virtual void updateTemperaturePoly(double T, double* T_poly) const;
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
* functions of temperature needed by this parameterization, and three
* pointers to arrays where the computed property values should be
* written. This method updates only one value in each array.
*
* Temperature Polynomial:
* tt[0] = t;
* tt[1] = t*t;
* tt[2] = t*t*t;
* tt[3] = t*t*t*t;
* tt[4] = 1.0/t;
* tt[5] = 1.0/(t*t);
* tt[6] = std::log(t);
*
* @param tt vector of temperature polynomials
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
//! @copydoc Nasa9Poly1::updateProperties
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const;
//! Compute the reference-state property of one species
/*!
* Given temperature T in K, this method updates the values of
* the non-dimensional heat capacity at constant pressure,
* enthalpy, and entropy, at the reference pressure, Pref
* of one of the species. The species index is used
* to reference into the cp_R, h_RT, and s_R arrays.
*
* Temperature Polynomial:
* tt[0] = t;
* tt[1] = t*t;
* tt[2] = t*t*t;
* tt[3] = t*t*t*t;
* tt[4] = 1.0/t;
* tt[5] = 1.0/(t*t);
* tt[6] = std::log(t);
*
* @param temp Temperature (Kelvin)
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
virtual void updatePropertiesTemp(const doublereal temp,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const;
//!This utility function reports back the type of
//! parameterization and all of the parameters for the
//! species, index.
//! This utility function reports back the type of parameterization and all
//! of the parameters for the species, index.
/*!
* All parameters are output variables
*
@ -137,9 +81,8 @@ public:
* @param tlow output - Minimum temperature
* @param thigh output - Maximum temperature
* @param pref output - reference pressure (Pa).
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
* There are 1 + 11*nzones coefficients
* @param coeffs Vector of coefficients used to set the parameters for
* the standard state. There are 1 + 11*nzones coefficients.
* coeffs[0] is equal to nTempZones.
* index = 1
* for each zone:
@ -152,11 +95,6 @@ public:
doublereal& pref,
doublereal* const coeffs) const;
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs);
protected:

31
include/cantera/thermo/NasaPoly1.h
View file

@ -17,12 +17,11 @@
namespace Cantera
{
/**
* The NASA polynomial parameterization for one temperature range.
* This parameterization expresses the heat capacity as a
* fourth-order polynomial. Note that this is the form used in the
* 1971 NASA equilibrium program and by the Chemkin software
* package, but differs from the form used in the more recent NASA
* equilibrium program.
* The NASA polynomial parameterization for one temperature range. This
* parameterization expresses the heat capacity as a fourth-order polynomial.
* Note that this is the form used in the 1971 NASA equilibrium program and by
* the Chemkin software package, but differs from the form used in the more
* recent NASA equilibrium program.
*
* Seven coefficients \f$(a_0,\dots,a_6)\f$ are used to represent
* \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as
@ -32,11 +31,11 @@ namespace Cantera
* \f]
* \f[
* \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2
* + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}.
* + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}.
* \f]
* \f[
* \frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2
+ \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6.
* + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6.
* \f]
*
* @ingroup spthermo
@ -82,12 +81,8 @@ public:
T_poly[5] = std::log(T);
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
* functions of temperature needed by this parameterization, and three
* pointers to arrays where the computed property values should be
* written. This method updates only one value in each array.
* @copydoc SpeciesThermoInterpType::updateProperties
*
* Temperature Polynomial:
* tt[0] = t;
@ -96,11 +91,6 @@ public:
* tt[3] = m_t[2]*t;
* tt[4] = 1.0/t;
* tt[5] = std::log(t);
*
* @param tt vector of temperature polynomials
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const {
@ -143,11 +133,6 @@ public:
std::copy(m_coeff.begin(), m_coeff.end(), coeffs);
}
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs) {
std::copy(coeffs, coeffs+7, m_coeff.begin());
}

36
include/cantera/thermo/NasaPoly2.h
View file

@ -18,12 +18,11 @@
namespace Cantera
{
/**
* The NASA polynomial parameterization for two temperature ranges.
* This parameterization expresses the heat capacity as a
* fourth-order polynomial. Note that this is the form used in the
* 1971 NASA equilibrium program and by the Chemkin software
* package, but differs from the form used in the more recent NASA
* equilibrium program.
* The NASA polynomial parameterization for two temperature ranges. This
* parameterization expresses the heat capacity as a fourth-order polynomial.
* Note that this is the form used in the 1971 NASA equilibrium program and by
* the Chemkin software package, but differs from the form used in the more
* recent NASA equilibrium program.
*
* Seven coefficients \f$(a_0,\dots,a_6)\f$ are used to represent
* \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as
@ -33,11 +32,11 @@ namespace Cantera
* \f]
* \f[
* \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2
* + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}.
* + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}.
* \f]
* \f[
* \frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2
+ \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6.
* + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6.
* \f]
*
* This class is designed specifically for use by the class
@ -89,26 +88,7 @@ public:
mnp_low.updateTemperaturePoly(T, T_poly);
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
* functions of temperature needed by this parameterization, and three
* pointers to arrays where the computed property values should be
* written. This method updates only one value in each array.
*
* Temperature Polynomial:
* tt[0] = t;
* tt[1] = t*t;
* tt[2] = m_t[1]*t;
* tt[3] = m_t[2]*t;
* tt[4] = 1.0/t;
* tt[5] = std::log(t);
*
* @param tt vector of temperature polynomials
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
//! @copydoc NasaPoly1::updateProperties
void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const {
if (tt[0] <= m_midT) {

45
include/cantera/thermo/ShomatePoly.h
View file

@ -17,8 +17,8 @@
namespace Cantera
{
//! The Shomate polynomial parameterization for one temperature range
//! for one species
//! The Shomate polynomial parameterization for one temperature range for one
//! species
/*!
* Seven coefficients \f$(A,\dots,G)\f$ are used to represent
* \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as
@ -29,15 +29,15 @@ namespace Cantera
* \f]
* \f[
* \tilde{h}^0(T) = A t + \frac{B t^2}{2} + \frac{C t^3}{3}
+ \frac{D t^4}{4} - \frac{E}{t} + F.
* + \frac{D t^4}{4} - \frac{E}{t} + F.
* \f]
* \f[
* \tilde{s}^0(T) = A\ln t + B t + \frac{C t^2}{2}
+ \frac{D t^3}{3} - \frac{E}{2t^2} + G.
* + \frac{D t^3}{3} - \frac{E}{2t^2} + G.
* \f]
*
* In the above expressions, the thermodynamic polynomials are expressed
* in dimensional units, but the temperature,\f$ t \f$, is divided by 1000. The
* In the above expressions, the thermodynamic polynomials are expressed in
* dimensional units, but the temperature,\f$ t \f$, is divided by 1000. The
* following dimensions are assumed in the above expressions:
*
* - \f$ \tilde{c}_p^0(T)\f$ = Heat Capacity (J/gmol*K)
@ -45,8 +45,8 @@ namespace Cantera
* - \f$ \tilde{s}^0(T) \f$= standard Entropy (J/gmol*K)
* - \f$ t \f$= temperature (K) / 1000.
*
* For more information about Shomate polynomials, see the NIST website,
* http://webbook.nist.gov/
* For more information about Shomate polynomials, see the NIST website,
* http://webbook.nist.gov/
*
* Before being used within Cantera, the dimensions must be adjusted to those
* used by Cantera (i.e., Joules and kmol).
@ -100,13 +100,10 @@ public:
T_poly[5] = 1.0/tt;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
* functions of temperature needed by this parameterization, and three
* pointers to arrays where the computed property values should be
* written. This method updates only one value in each array.
* @copydoc SpeciesThermoInterpType::updateProperties
*
* Form of the temperature polynomial:
* - `t` is T/1000.
* - `t[0] = t`
* - `t[1] = t*t`
@ -114,11 +111,6 @@ public:
* - `t[3] = 1.0/t[1]`
* - `t[4] = log(t)`
* - `t[5] = 1.0/t;
*
* @param[in] tt Array of evaluated temperature functions
* @param[out] cp_R Dimensionless heat capacity
* @param[out] h_RT Dimensionless enthalpy
* @param[out] s_R Dimensionless entropy
*/
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT,
@ -158,11 +150,6 @@ public:
}
}
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs) {
for (size_t i = 0; i < 7; i++) {
m_coeff[i] = coeffs[i] * 1000 / GasConstant;
@ -186,8 +173,8 @@ protected:
vector_fp m_coeff;
};
//! The Shomate polynomial parameterization for two temperature ranges
//! for one species
//! The Shomate polynomial parameterization for two temperature ranges for one
//! species
/*!
* Seven coefficients \f$(A,\dots,G)\f$ are used to represent
* \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as
@ -198,11 +185,11 @@ protected:
* \f]
* \f[
* \tilde{h}^0(T) = A t + \frac{B t^2}{2} + \frac{C t^3}{3}
+ \frac{D t^4}{4} - \frac{E}{t} + F.
* + \frac{D t^4}{4} - \frac{E}{t} + F.
* \f]
* \f[
* \tilde{s}^0(T) = A\ln t + B t + \frac{C t^2}{2}
+ \frac{D t^3}{3} - \frac{E}{2t^2} + G.
* + \frac{D t^3}{3} - \frac{E}{2t^2} + G.
* \f]
*
* In the above expressions, the thermodynamic polynomials are expressed
@ -214,8 +201,8 @@ protected:
* - \f$ \tilde{s}^0(T) \f$= standard Entropy (J/gmol*K)
* - \f$ t \f$= temperature (K) / 1000.
*
* For more information about Shomate polynomials, see the NIST website,
* http://webbook.nist.gov/
* For more information about Shomate polynomials, see the NIST website,
* http://webbook.nist.gov/
*
* Before being used within Cantera, the dimensions must be adjusted to those
* used by Cantera (i.e., Joules and kmol).

250
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -23,57 +23,50 @@ class VPSSMgr;
/**
* @defgroup spthermo Species Reference-State Thermodynamic Properties
*
* 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.
* 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.
*
* To compute the thermodynamic properties of multicomponent
* solutions, it is necessary to know something about the
* thermodynamic properties of the individual species present in
* the solution. Exactly what sort of species properties are
* required depends on the thermodynamic model for the
* solution. For a gaseous solution (i.e., a gas mixture), the
* species properties required are usually ideal gas properties at
* the mixture temperature and at a reference pressure (almost always at
* 1 bar). For other types of solutions, however, it may
* not be possible to isolate the species in a "pure" state. For
* example, the thermodynamic properties of, say, Na+ and Cl- in
* saltwater are not easily determined from data on the properties
* of solid NaCl, or solid Na metal, or chlorine gas. In this
* case, the solvation in water is fundamental to the identity of
* the species, and some other reference state must be used. One
* common convention for liquid solutions is to use thermodynamic
* data for the solutes in the limit of infinite dilution within the
* pure solvent; another convention is to reference all properties
* to unit molality.
* To compute the thermodynamic properties of multicomponent solutions, it is
* necessary to know something about the thermodynamic properties of the
* individual species present in the solution. Exactly what sort of species
* properties are required depends on the thermodynamic model for the solution.
* For a gaseous solution (i.e., a gas mixture), the species properties
* required are usually ideal gas properties at the mixture temperature and at
* a reference pressure (almost always at 1 bar). For other types of solutions,
* however, it may not be possible to isolate the species in a "pure" state.
* For example, the thermodynamic properties of, say, Na+ and Cl- in saltwater
* are not easily determined from data on the properties of solid NaCl, or
* solid Na metal, or chlorine gas. In this case, the solvation in water is
* fundamental to the identity of the species, and some other reference state
* must be used. One common convention for liquid solutions is to use
* thermodynamic data for the solutes in the limit of infinite dilution within
* the pure solvent; another convention is to reference all properties to unit
* molality.
*
* In defining these standard states for species in a phase, we make
* the following definition. A reference state is a standard state
* of a species in a phase limited to one particular pressure, the reference
* pressure. The reference state specifies the dependence of all
* thermodynamic functions as a function of the temperature, in
* between a minimum temperature and a maximum temperature. The
* reference state also specifies the molar volume of the species
* as a function of temperature. The molar volume is a thermodynamic
* function.
* A full standard state does the same thing as a reference state,
* In defining these standard states for species in a phase, we make the
* following definition. A reference state is a standard state of a species in
* a phase limited to one particular pressure, the reference pressure. The
* reference state specifies the dependence of all thermodynamic functions as a
* function of the temperature, in between a minimum temperature and a maximum
* temperature. The reference state also specifies the molar volume of the
* species as a function of temperature. The molar volume is a thermodynamic
* function. A full standard state does the same thing as a reference state,
* but specifies the thermodynamics functions at all pressures.
*
* Whatever the conventions used by a particular solution model,
* means need to be provided to compute the species properties in
* the reference state. Class SpeciesThermo is the base class
* 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
* calculates the reference-state thermodynamic values of all species in a single
* phase during each call.
* Whatever the conventions used by a particular solution model, means need to
* be provided to compute the species properties in the reference state. Class
* SpeciesThermo is the base class 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 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.
* calculation of thermodynamic functions for a single species in its reference
* state. The following classes inherit from SpeciesThermoInterpType.
*
* - NasaPoly1 in file NasaPoly1.h
* - This is a one zone model, consisting of a 7
@ -112,46 +105,41 @@ class VPSSMgr;
* functions by relying on a pressure dependent
* standard state object (i.e., a PDSS object) to calculate
* the thermodynamic functions.
* .
*
* The most important member function for the SpeciesThermoInterpType class
* is the member function
* \link SpeciesThermoInterpType::updatePropertiesTemp() updatePropertiesTemp()\endlink.
* The function calculates the values of Cp, H, and S for the specific
* species pertaining to this class. It takes as its arguments the
* base pointer for the vector of Cp, H, and S values for all species
* in the phase. The offset for the species is known within the
* object.
* The most important member function for the SpeciesThermoInterpType class is
* the member function SpeciesThermoInterpType::updatePropertiesTemp(). The
* function calculates the values of Cp, H, and S for the specific species
* pertaining to this class. It takes as its arguments the base pointer for the
* vector of Cp, H, and S values for all species in the phase. The offset for
* the species is known within the object.
*
* A key concept for reference states is that there is a maximum and a minimum
* temperature beyond which the thermodynamic formulation isn't valid.
* Calls for temperatures outside this range will cause the
* object to throw a CanteraError.
* A key concept for reference states is that there is a maximum and a minimum
* temperature beyond which the thermodynamic formulation isn't valid. Calls
* for temperatures outside this range will cause the object to throw a
* CanteraError.
*
* @ingroup thermoprops
*/
//! Pure Virtual Base class for the thermodynamic manager for
//! an individual species' reference state
//! Pure Virtual Base class for the thermodynamic manager for an individual
//! species' reference state
/*!
* This differs from the SpeciesThermo virtual
* base class in the sense that this class is meant to handle only
* one species. The speciesThermo class is meant to handle the
* calculation of all the species (or a large subset) in a phase.
* This differs from the SpeciesThermo virtual base class in the sense that this
* class is meant to handle only one species. The speciesThermo class is meant
* to handle the calculation of all the species (or a large subset) in a phase.
*
* One key feature is that the update routines use the same
* form as the update routines in the speciesThermo class. They update
* into a vector of cp_R, s_R, and H_R that spans all of the species in
* a phase. Therefore, this class must carry along a species index into that
* vector.
* One key feature is that the update routines use the same form as the update
* routines in the speciesThermo class. They update into a vector of cp_R, s_R,
* and H_R that spans all of the species in a phase. Therefore, this class must
* carry along a species index into that vector.
*
* These routine may be templated. A key requirement of the template is that
* there is a constructor with the following form:
*
* @code
* SpeciesThermoInterpType(int index, doublereal tlow, doublereal thigh,
* doublereal pref, const doublereal* coeffs)
* @endcode
* @code
* SpeciesThermoInterpType(int index, doublereal tlow, doublereal thigh,
* doublereal pref, const doublereal* coeffs)
* @endcode
*
* @ingroup spthermo
*/
@ -169,14 +157,14 @@ public:
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const = 0;
//! Returns the minimum temperature that the thermo
//! parameterization is valid
//! Returns the minimum temperature that the thermo parameterization is
//! valid
virtual doublereal minTemp() const {
return m_lowT;
}
//! Returns the maximum temperature that the thermo
//! parameterization is valid
//! Returns the maximum temperature that the thermo parameterization is
//! valid
virtual doublereal maxTemp() const {
return m_highT;
}
@ -212,22 +200,20 @@ public:
* The form and length of the Temperature Polynomial may vary depending on
* the parameterization.
*
* @param tempPoly vector of temperature polynomials
* @param tt vector of evaluated temperature functions
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
*/
virtual void updateProperties(const doublereal* tempPoly,
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const;
//! Compute the reference-state property of one species
/*!
* Given temperature T in K, this method updates the values of
* the non-dimensional heat capacity at constant pressure,
* enthalpy, and entropy, at the reference pressure, Pref
* of one of the species. The species index is used
* to reference into the cp_R, h_RT, and s_R arrays.
* Given temperature T in K, this method updates the values of the non-
* dimensional heat capacity at constant pressure, enthalpy, and entropy, at
* the reference pressure, of the species.
*
* @param temp Temperature (Kelvin)
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
@ -239,9 +225,8 @@ public:
doublereal* h_RT,
doublereal* s_R) const = 0;
//!This utility function reports back the type of
//! parameterization and all of the parameters for the
//! species, index.
//! This utility function reports back the type of parameterization and all
//! of the parameters for the species.
/*!
* All parameters are output variables
*
@ -260,36 +245,36 @@ public:
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
* @param coeffs Vector of coefficients used to set the parameters for the
* standard state.
*/
virtual void modifyParameters(doublereal* coeffs) {}
//! Report the 298 K Heat of Formation of the standard state of one species
//! (J kmol-1)
/*!
* The 298K Heat of Formation is defined as the enthalpy change to create
* the standard state of the species from its constituent elements in
* their standard states at 298 K and 1 bar.
* The 298K Heat of Formation is defined as the enthalpy change to create
* the standard state of the species from its constituent elements in their
* standard states at 298 K and 1 bar.
*
* @param h298 If this is nonnull, the current value of the Heat of
* Formation at 298K and 1 bar for species m_speciesIndex is
* returned in h298[m_speciesIndex].
* @return Returns the current value of the Heat of Formation at 298K
* and 1 bar for species m_speciesIndex.
* @param h298 If this is nonnull, the current value of the Heat of
* Formation at 298K and 1 bar for species m_speciesIndex is
* returned in h298[m_speciesIndex].
* @return the current value of the Heat of Formation at 298K and 1 bar for
* species m_speciesIndex.
*/
virtual doublereal reportHf298(doublereal* const h298 = 0) const;
//! Modify the value of the 298 K Heat of Formation of one species in the
//! phase (J kmol-1)
/*!
* The 298K heat of formation is defined as the enthalpy change to create
* the standard state of the species from its constituent elements in
* their standard states at 298 K and 1 bar.
* The 298K heat of formation is defined as the enthalpy change to create
* the standard state of the species from its constituent elements in their
* standard states at 298 K and 1 bar.
*
* @param k Species k
* @param Hf298New Specify the new value of the Heat of Formation at
* 298K and 1 bar
* @param k Species k
* @param Hf298New Specify the new value of the Heat of Formation at
* 298K and 1 bar
*/
virtual void modifyOneHf298(const size_t k, const doublereal Hf298New);
@ -305,13 +290,13 @@ protected:
//! Class for the thermodynamic manager for an individual species' reference
//! state which uses the PDSS base class to satisfy the requests.
/*!
* This class is a pass-through class for handling thermodynamics calls
* for reference state thermo to an pressure dependent standard state (PDSS)
* class. For some situations, it makes no sense to have a reference state
* at all. One example of this is the real water standard state.
* This class is a pass-through class for handling thermodynamics calls for
* reference state thermo to an pressure dependent standard state (PDSS) class.
* For some situations, it makes no sense to have a reference state at all. One
* example of this is the real water standard state.
*
* What this class does is just to pass through the calls for thermo at (T, p0)
* to the PDSS class, which evaluates the calls at (T, p0).
* What this class does is just to pass through the calls for thermo at (T, p0)
* to the PDSS class, which evaluates the calls at (T, p0).
*
* @ingroup spthermo
*/
@ -323,50 +308,37 @@ public:
//! Main Constructor
/*!
* @param vpssmgr_ptr Pointer to the Variable pressure standard state
* manager that owns the PDSS object that will handle calls for this
* object
* @param PDSS_ptr Pointer to the PDSS object that handles calls for
* this object
* @param vpssmgr_ptr Pointer to the Variable pressure standard state
* manager that owns the PDSS object that will handle calls for this
* object
* @param PDSS_ptr Pointer to the PDSS object that handles calls for
* this object
*/
STITbyPDSS(VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr);
//! copy constructor
/*!
* @param b Object to be copied
*/
STITbyPDSS(const STITbyPDSS& b);
virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType() const;
//! Initialize and/or Reinitialize all the pointers for this object
/*!
* This routine is needed because the STITbyPDSS object doesn't own the
* underlying objects. Therefore, shallow copies during duplication
* operations may fail.
* This routine is needed because the STITbyPDSS object doesn't own the
* underlying objects. Therefore, shallow copies during duplication
* operations may fail.
*
* @param speciesIndex species index for this object. Note, this must
* agree with what was internally set before.
* @param vpssmgr_ptr Pointer to the Variable pressure standard state
* manager that owns the PDSS object that will handle calls for this
* object
* @param PDSS_ptr Pointer to the PDSS object that handles calls for
* this object
* @param speciesIndex species index for this object. Note, this must agree
* with what was internally set before.
* @param vpssmgr_ptr Pointer to the Variable pressure standard state
* manager that owns the PDSS object that will handle calls for this
* object
* @param PDSS_ptr Pointer to the PDSS object that handles calls for
* this object
*/
void initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr);
//! Returns the minimum temperature that the thermo
//! parameterization is valid
virtual doublereal minTemp() const;
//! Returns the maximum temperature that the thermo
//! parameterization is valid
virtual doublereal maxTemp() const;
//! Returns the reference pressure (Pa)
virtual doublereal refPressure() const;
//! Returns an integer representing the type of parameterization
virtual int reportType() const;
virtual void updateProperties(const doublereal* tempPoly,
@ -386,8 +358,8 @@ public:
virtual void modifyParameters(doublereal* coeffs) {}
private:
//! Pointer to the Variable pressure standard state manager
//! that owns the PDSS object that will handle calls for this object
//! Pointer to the Variable pressure standard state manager that owns the
//! PDSS object that will handle calls for this object
VPSSMgr* m_vpssmgr_ptr;
//! Pointer to the PDSS object that handles calls for this object