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added Nasa9 connections and cleaned up warning messages.
This commit is contained in:
Harry Moffat 2007-12-27 19:09:38 +00:00
parent f99458d08a
commit 986c120f9b
7 changed files with 117 additions and 67 deletions
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15
Cantera/src/thermo/Nasa9Poly1.cpp
View file

@ -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.

24
Cantera/src/thermo/Nasa9Poly1.h
View file

@ -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
*/

51
Cantera/src/thermo/Nasa9PolyMultiTempRegion.cpp
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@ -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<Cantera::Nasa9Poly1 *> &regionPts) :

78
Cantera/src/thermo/Nasa9PolyMultiTempRegion.h
View file

@ -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<Cantera::Nasa9Poly1 *> &regionPts);
//! 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;

12
Cantera/src/thermo/SpeciesThermo.h
View file

@ -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
*/
//@{

2
Cantera/src/thermo/ThermoPhase.cpp
View file

@ -22,9 +22,11 @@
#include "ThermoPhase.h"
//@{
#ifndef MAX
#define MAX(x,y) (( (x) > (y) ) ? (x) : (y))
#endif
//@}
using namespace std;

2
Cantera/src/thermo/speciesThermoTypes.h
View file

@ -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"