From 986c120f9be97f4add4e6814d5e6ad0beadf5161 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Thu, 27 Dec 2007 19:09:38 +0000 Subject: [PATCH] doxygen update added Nasa9 connections and cleaned up warning messages. --- Cantera/src/thermo/Nasa9Poly1.cpp | 15 ++-- Cantera/src/thermo/Nasa9Poly1.h | 24 +++--- .../src/thermo/Nasa9PolyMultiTempRegion.cpp | 51 ++++++------ Cantera/src/thermo/Nasa9PolyMultiTempRegion.h | 78 ++++++++++++++----- Cantera/src/thermo/SpeciesThermo.h | 12 ++- Cantera/src/thermo/ThermoPhase.cpp | 2 + Cantera/src/thermo/speciesThermoTypes.h | 2 + 7 files changed, 117 insertions(+), 67 deletions(-) diff --git a/Cantera/src/thermo/Nasa9Poly1.cpp b/Cantera/src/thermo/Nasa9Poly1.cpp index aea81d7e1..61ecd735f 100644 --- a/Cantera/src/thermo/Nasa9Poly1.cpp +++ b/Cantera/src/thermo/Nasa9Poly1.cpp @@ -1,6 +1,6 @@ /** - * @file Nasa9Poly1.h - * Header for a single-species standard state object derived + * @file Nasa9Poly1.cpp + * Definitions for a single-species standard state object derived * from * \link Cantera::SpeciesThermoInterpType SpeciesThermoInterpType\endlink * based @@ -14,11 +14,8 @@ * $Revision$ * $Date$ */ - // Copyright 2007 Sandia National Laboratories - -//#include "global.h" #include "Nasa9Poly1.h" namespace Cantera { @@ -32,8 +29,8 @@ namespace Cantera { * Note that this is the form used in the * 2002 NASA equilibrium program * - * NASA Glenn Coefficients for Calculating Thermodynamic - * Properties of Individual Species, + * "NASA Glenn Coefficients for Calculating Thermodynamic + * Properties of Individual Species," * B. J. McBride, M. J. Zehe, S. Gordon * NASA/TP-2002-211556, Sept. 2002 * @@ -42,7 +39,7 @@ namespace Cantera { * \f$ C_p^0(T)\f$, \f$ H^0(T)\f$, and \f$ S^0(T) \f$ as * polynomials in \f$ T \f$ : * \f[ - * \frac{c_p(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T + * \frac{C_p^0(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T * + a_4 T^2 + a_5 T^3 + a_6 T^4 * \f] * @@ -59,7 +56,7 @@ namespace Cantera { * The standard state is assumed to be the ideal gas at the * standard pressure of 1 bar, for gases. * For condensed species, the standard state is the - * pure cyrstalline or liquid substance at the standard + * pure crystalline or liquid substance at the standard * pressure of 1 atm. * * These NASA representations may have more than 2 temperature regions. diff --git a/Cantera/src/thermo/Nasa9Poly1.h b/Cantera/src/thermo/Nasa9Poly1.h index a64b7a3fa..a44dae6e6 100644 --- a/Cantera/src/thermo/Nasa9Poly1.h +++ b/Cantera/src/thermo/Nasa9Poly1.h @@ -31,23 +31,22 @@ namespace Cantera { //! The NASA 9 polynomial parameterization for one temperature range. /*! - * This parameterization expresses the heat capacity via a - * 7 coefficient polynomial. - * + * This parameterization expresses the heat capacity via a + * 7 coefficient polynomial. * Note that this is the form used in the - * 2002 NASA equilibrium program + * 2002 NASA equilibrium program. A reference to the form is + * provided below: * - * NASA Glenn Coefficients for Calculating Thermodynamic - * Properties of Individual Species, + * "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$(a_0,\dots,a_6)\f$ are used to represent * \f$ C_p^0(T)\f$, \f$ H^0(T)\f$, and \f$ S^0(T) \f$ as * polynomials in \f$ T \f$ : * \f[ - * \frac{c_p(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T + * \frac{C_p^0(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T * + a_4 T^2 + a_5 T^3 + a_6 T^4 * \f] * @@ -61,13 +60,16 @@ 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 the ideal gas at the + * 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 cyrstalline or liquid substance at the standard + * pure crystalline or liquid substance at the standard * pressure of 1 atm. * - * These NASA representations may have more than 2 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 */ diff --git a/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp b/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp index d080985b8..ddf2f8f86 100644 --- a/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp +++ b/Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp @@ -1,6 +1,6 @@ /** - * @file Nasa9Poly1.h - * Header for a single-species standard state object derived + * @file Nasa9PolyMultiTempRegion.cpp + * Definitions for a single-species standard state object derived * from \link Cantera::SpeciesThermoInterpType * SpeciesThermoInterpType\endlink based * on the NASA 9 coefficient temperature polynomial form @@ -11,38 +11,32 @@ * This parameterization has one NASA temperature region. */ - - - /* $Author$ * $Revision$ * $Date$ */ - // Copyright 2007 Sandia National Laboratories - #include "global.h" #include "ctexceptions.h" #include "Nasa9PolyMultiTempRegion.h" namespace Cantera { - - // The NASA 9 polynomial parameterization for one temperature range. + // The NASA 9 polynomial parameterization for a single species + // encompassing multiple temperature regions. /* - * This parameterization expresses the heat capacity via a - * 7 coefficient polynomial. - * + * This parameterization expresses the heat capacity via a + * 7 coefficient polynomial. * Note that this is the form used in the - * 2002 NASA equilibrium program + * 2002 NASA equilibrium program. A reference to the form is + * provided below: * - * NASA Glenn Coefficients for Calculating Thermodynamic - * Properties of Individual Species, + * "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$(a_0,\dots,a_6)\f$ are used to represent * \f$ C_p^0(T)\f$, \f$ H^0(T)\f$, and \f$ S^0(T) \f$ as * polynomials in \f$ T \f$ : @@ -62,13 +56,16 @@ namespace Cantera { * + \frac{a_6}{4} T^4 + a_8 * \f] * - * The standard state is assumed to be the ideal gas at the + * 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 cyrstalline or liquid substance at the standard + * pure crystalline or liquid substance at the standard * pressure of 1 atm. - * - * These NASA representations may have more than 2 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 */ @@ -86,14 +83,14 @@ namespace Cantera { } - // constructor used in templated instantiations + // Constructor used in templated instantiations /* - * @param n Species index - * @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. + * @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. */ Nasa9PolyMultiTempRegion:: Nasa9PolyMultiTempRegion(std::vector ®ionPts) : diff --git a/Cantera/src/thermo/Nasa9PolyMultiTempRegion.h b/Cantera/src/thermo/Nasa9PolyMultiTempRegion.h index 6e1cb5f96..b29d138f5 100644 --- a/Cantera/src/thermo/Nasa9PolyMultiTempRegion.h +++ b/Cantera/src/thermo/Nasa9PolyMultiTempRegion.h @@ -1,20 +1,19 @@ /** - * @file Nasa9Poly1.h + * @file Nasa9PolyMultiTempRegion.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). + * applied to multiple temperature regions + * (see \ref spthermo and class \link Cantera::Nasa9PolyMultiTempRegion Nasa9PolyMultiTempRegion\endlink). * - * This parameterization has one NASA temperature region. + * This parameterization has multiple NASA temperature regions. */ #ifndef CT_NASA9POLYMULTITEMPREGION_H #define CT_NASA9POLYMULTITEMPREGION_H - /* $Author$ * $Revision$ * $Date$ @@ -27,11 +26,50 @@ #include "Nasa9Poly1.h" namespace Cantera { - - //! The NASA 9 polynomial parameterization for multiple temperature ranges. + //! The NASA 9 polynomial parameterization for a single species + //! encompassing multiple temperature regions. /*! - * + * 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 + * + * Nine 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 + * polynomials in \f$ T \f$ : + * \f[ + * \frac{C_p^0(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T + * + a_4 T^2 + a_5 T^3 + a_6 T^4 + * \f] + * + * \f[ + * \frac{H^0(T)}{RT} = - a_0 T^{-2} + a_1 \frac{\ln(T)}{T} + a_2 + * + a_3 T + a_4 T^2 + a_5 T^3 + a_6 T^4 + \frac{a_7}{T} + * \f] + * + * \f[ + * \frac{s^0(T)}{R} = - \frac{a_0}{2} T^{-2} - a_1 T^{-1} + a_2 \ln(T) + + + 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. + * + * 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 */ class Nasa9PolyMultiTempRegion : public SpeciesThermoInterpType { @@ -41,25 +79,27 @@ namespace Cantera { //! Empty constructor Nasa9PolyMultiTempRegion(); - - //! constructor used in templated instantiations + //! Constructor used in templated instantiations /*! - * @param n Species index - * @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. + * @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. */ Nasa9PolyMultiTempRegion(std::vector ®ionPts); - //! copy constructor + //! Copy constructor /*! * @param b object to be copied */ Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b); - //! assignment operator + //! Assignment operator /*! * @param b object to be copied */ @@ -68,7 +108,7 @@ namespace Cantera { //! Destructor virtual ~Nasa9PolyMultiTempRegion(); - //! duplicator + //! Duplicator virtual SpeciesThermoInterpType * duplMyselfAsSpeciesThermoInterpType() const; diff --git a/Cantera/src/thermo/SpeciesThermo.h b/Cantera/src/thermo/SpeciesThermo.h index 9c8a5f611..6a2e41826 100755 --- a/Cantera/src/thermo/SpeciesThermo.h +++ b/Cantera/src/thermo/SpeciesThermo.h @@ -123,7 +123,17 @@ namespace Cantera { * at a set number of temperatures. Between each temperature * the heat capacity is treated as a constant. * . - * @ingroup phases . + * - Nasa9Poly1 in file Nasa9Poly1.h + * - This is a one zone model, consisting of the 9 + * coefficient Nasa Polynomial format. + * . + * - Nasa9PolyMultiTempRegion in file Nasa9PolyMultiTempRegion.h + * - This is a multiple zone model, consisting of the 9 + * coefficient Nasa Polynomial format in each zone. + * . + * . + * + * @ingroup phases */ //@{ diff --git a/Cantera/src/thermo/ThermoPhase.cpp b/Cantera/src/thermo/ThermoPhase.cpp index afec8b3a0..fd9c5b66a 100644 --- a/Cantera/src/thermo/ThermoPhase.cpp +++ b/Cantera/src/thermo/ThermoPhase.cpp @@ -22,9 +22,11 @@ #include "ThermoPhase.h" +//@{ #ifndef MAX #define MAX(x,y) (( (x) > (y) ) ? (x) : (y)) #endif +//@} using namespace std; diff --git a/Cantera/src/thermo/speciesThermoTypes.h b/Cantera/src/thermo/speciesThermoTypes.h index 7efceb267..5e5e24265 100755 --- a/Cantera/src/thermo/speciesThermoTypes.h +++ b/Cantera/src/thermo/speciesThermoTypes.h @@ -65,6 +65,8 @@ //! This is implemented in the class Nasa9PolyMultiTempRegion in Nasa9Poly1MultiTempRegion #define NASA9MULTITEMP 513 +//! Surface Adsorbate Model for a species on a surface. +//! This is implemented in the class Adsorbate. #define ADSORBATE 1024 #include "ct_defs.h"