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This commit is contained in:
Dave Goodwin
2007-12-24 15:27:37 +00:00
parent c5f28afd19
commit 2cc7c139b6
16 changed files with 1588 additions and 1412 deletions
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10
Cantera/src/kinetics/EdgeKinetics.h
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@@ -1,7 +1,11 @@
/**
* @file EdgeKinetics.h
*
* $Author$
* @ingroup chemkinetics
* @ingroup electrochem
*/
/* $Author$
* $Revision$
* $Date$
*/
@@ -16,6 +20,10 @@
namespace Cantera {
/**
* Heterogeneous reactions at one-dimensional interfaces between
* multiple adjacent two-dimensional surfaces.
*/
class EdgeKinetics : public InterfaceKinetics {
public:

1
Cantera/src/kinetics/GRI_30_Kinetics.cpp
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@@ -1,6 +1,7 @@
/**
* @file GRI_30_Kinetics.cpp
*
* @ingroup chemkinetics
*/
// Copyright 2001 California Institute of Technology

1
Cantera/src/kinetics/GRI_30_Kinetics.h
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@@ -2,6 +2,7 @@
*
* @file GRI_30_Kinetics.h
*
* @ingroup chemkinetics
*/
// Copyright 2001 California Institute of Technology

9
Cantera/src/kinetics/InterfaceKinetics.h
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@@ -1,6 +1,7 @@
/**
* @file InterfaceKinetics.h
*
* @ingroup chemkinetics
*/
/*
* $Author$
@@ -10,6 +11,13 @@
// Copyright 2001 California Institute of Technology
/**
* @defgroup electrochem Electrochemistry
*
* Support for electrochemical reaction kinetics.
*
* @ingroup chemkinetics
*/
#ifndef CT_IFACEKINETICS_H
#define CT_IFACEKINETICS_H
@@ -67,6 +75,7 @@ namespace Cantera {
/// reactions are assumed to occur at a 2D interface between two
/// 3D phases.
///
/// @ingroup chemkinetics
class InterfaceKinetics : public Kinetics {
public:

5
Cantera/src/kinetics/Kinetics.h
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@@ -23,6 +23,10 @@ namespace Cantera {
// forward references
class ReactionData;
/**
* @defgroup chemkinetics Chemical Kinetics
*/
/// @defgroup kineticsmgr Kinetics Managers
/// @section kinmodman Models and Managers
///
@@ -106,6 +110,7 @@ namespace Cantera {
/// in the reactions), the next 3 will be for phase 'b', and finally the
/// net production rates for the surface species will occupy the last
/// 5 locations.
/// @ingroup chemkinetics
//! Public interface for kinetics managers.

2495
Cantera/src/kinetics/solveSP.cpp
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117
Cantera/src/spectra/LineBroadener.cpp
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@@ -3,25 +3,32 @@
using namespace std;
namespace Cantera {
namespace CanteraSpectra {
doublereal to_wavenumbers(doublereal freq) {
return freq/(100.0*lightSpeed);
}
doublereal from_wavenumbers(doublereal omega) {
return omega*(100.0*lightSpeed);
}
Lorentzian::Lorentzian(doublereal FWHM) {
m_hwhm = 0.5*FWHM;
Lorentzian::Lorentzian(doublereal gamma) {
m_hwhm = gamma;
m_hwhm2 = m_hwhm*m_hwhm;
}
/**
* The Lorentzian profile for collision-broadened lines.
*
*\f[
* \frac{1}{\pi} \frac{\gamma}{ (\Delta\nu)^2 + \gamma^2}
*\f]
* Units: 1/wavenumber (or cm).
*/
doublereal Lorentzian::profile(doublereal deltaFreq) {
return (1.0/Pi) *m_hwhm/(deltaFreq*deltaFreq + m_hwhm2);
}
/**
*
* The cumulative profile, given by
* \f[
* \frac{1}{\pi} \tan^{-1}\left(\frac{\Delta\nu}{gamma}\right) + 0.5
* \f]
*/
doublereal Lorentzian::cumulative(doublereal deltaFreq) {
return (1.0/Pi) * atan(deltaFreq/m_hwhm) + 0.5;
}
@@ -30,13 +37,15 @@ namespace Cantera {
return 2.0*m_hwhm;
}
Gaussian::Gaussian(doublereal FWHM) {
m_width = FWHM;
m_sigma = 0.5*FWHM / sqrt(2.0 * log(2.0));
Gaussian::Gaussian(doublereal sigma) {
m_sigma = sigma;
m_sigma2 = m_sigma*m_sigma;
}
doublereal Gaussian::profile(doublereal deltaFreq) {
//cout << "entered Gaussian::profile" << endl;
//cout << "deltaFreq = " << deltaFreq << endl;
//cout << "m_sigma = " << m_sigma << endl;
return 1.0/(m_sigma*SqrtTwo*SqrtPi) *
exp(-deltaFreq*deltaFreq/(2.0*m_sigma2));
}
@@ -46,7 +55,83 @@ namespace Cantera {
}
doublereal Gaussian::width() {
return m_width;
return 2.0*m_sigma*sqrt(log(4.0));
}
/**
* @param sigma The standard deviation of the Gaussian
* @param gamma The half-width of the Lorentzian.
*/
Voigt::Voigt(doublereal sigma, doublereal gamma) {
m_sigma = sigma;
m_sigma2 = m_sigma*m_sigma;
m_gamma_lor = gamma;
m_sigsqrt2 = SqrtTwo*m_sigma;
m_gamma = gamma/m_sigsqrt2;
m_eps = 1.0e-9;
}
/**
* This method evaluates the function
* \f[
* F(x, y) = \frac{y}{\pi}\int_{-\infty}^{+\infty} \frac{e^{-z^2}}
* {(x - z)^2 + y^2} dz
* \f]
*/
doublereal Voigt::F(doublereal x) {
if (x < 0.0) x = -x;
double y = m_gamma;
double c3 = log(Pi*m_eps/2.0);
double tau = sqrt(-log(y) - c3);
double b = (tau + x)/y;
double t = b*y;
double f1, f2, f3;
double c0 = 2.0/(Pi*m_eps);
const double c1 = 1.0/SqrtTwo;
const double c2 = 2.0/SqrtPi;
if (y > c0/m_eps) {
throw CanteraError("Voigt::F",
"condition that y < c0/epsion violated");
}
while (1 > 0) {
f1 = c2*y*exp(-Pi*Pi/(t*t));
f2 = fabs(y*y - Pi*Pi/(t*t));
f3 = 1.0 - pow(exp(-Pi*Pi/(t*t)),2);
t *= c1;
// cout << "t = " << t << endl;
if ((f1/(f2*f3)) < 0.5*m_eps) break;
}
double h = t/y;
int N = int(0.5*b/h);
double S = 0.0;
double u = h/2;
for (int i = 0; i < N; i++) {
S += (1.0 + exp(-4.0*x*y*u))*exp(-pow(y*u-x,2))/(u*u+1.0);
u += h;
}
double Q = h*S/Pi;
double C = 0.0;
if (y*y < Pi/h) {
C = 2.0*exp(y*y - x*x)*cos(2*x*y)/(1.0 + exp(2*Pi/h));
}
else {
return 0.0;
}
return Q + C;
}
/**
* Voigt profile.
*
*/
doublereal Voigt::profile(doublereal deltaFreq) {
const double ff = m_gamma_lor*m_gamma_lor/(2.0*Pi*m_sigma*m_sigma);
return ff*F(deltaFreq/m_sigsqrt2);
}
}

54
Cantera/src/spectra/LineBroadener.h
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@@ -1,23 +1,28 @@
/**
* @file LinerBoadener.h
* Header file for class LineBroadener
* @ingroup spectroscopy
*/
#include "ct_defs.h"
#include "ctexceptions.h"
namespace Cantera {
using namespace Cantera;
namespace CanteraSpectra {
/**
* Base class for classes implementing line shapes of
* various types.
* @ingroup spectroscopy
*/
class LineBroadener {
public:
/// Default constructor
LineBroadener() {}
/// Destructor
virtual ~LineBroadener() {}
/**
@@ -26,7 +31,8 @@ namespace Cantera {
* P(\Delta\nu)
*\f]
* as a function of distance from line
* center. This function must have total area = 1.0.
* center \f$ \Delta\nu \f$.
* This function must have total area = 1.0.
* Note that this method must be overloaded in each
* derived class. If the base class method is called,
* an exception will be thrown.
@@ -36,6 +42,10 @@ namespace Cantera {
"base class method called!");
}
doublereal operator()(doublereal deltaFreq) {
return profile(deltaFreq);
}
/**
* The cumulative profile, defined as
* \f[
@@ -47,6 +57,7 @@ namespace Cantera {
"base class method called!");
}
virtual doublereal width() { return 0.0; }
};
/**
@@ -55,7 +66,7 @@ namespace Cantera {
* \f[
* L(\Delta\nu) = \frac{1}{\pi}\frac{\gamma}{\Delta\nu^2 + \gamma^2}
* \f]
* where \f$ \gamma = {\mbox{FWHM}/2 \f$.
* where \f$ \gamma = {\mbox{FWHM}/2} \f$.
*/
class Lorentzian : public LineBroadener {
public:
@@ -80,15 +91,50 @@ namespace Cantera {
* Constructor.
* @param FWHM Full width at half-maximum.
*/
Gaussian(doublereal FWHM);
Gaussian(doublereal sigma);
virtual doublereal profile(doublereal deltaFreq);
virtual doublereal cumulative(doublereal deltaFreq);
virtual doublereal width();
doublereal standardDev() {
return m_sigma;
}
protected:
doublereal m_sigma;
doublereal m_sigma2;
doublereal m_width;
};
/**
* A Voigt profile is the convolution of a Lorentzian and a
* Gaussian profile. This profile results when Doppler
* broadening and collisional broadening both are important.
*/
class Voigt : public LineBroadener {
public:
/**
* Constructor.
*/
Voigt(doublereal sigma, doublereal gamma);
virtual doublereal profile(doublereal deltaFreq);
//virtual doublereal cumulative(doublereal deltaFreq)
//virtual doublereal width()
protected:
doublereal F(doublereal x);
doublereal m_sigma;
doublereal m_gamma_lor;
doublereal m_sigma2;
doublereal m_width;
doublereal m_gamma;
doublereal m_sigsqrt2;
doublereal m_a;
doublereal m_eps;
};
}

21
Cantera/src/spectra/rotor.cpp
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@@ -10,15 +10,17 @@
#include "ct_defs.h"
#include "rotor.h"
namespace Cantera {
namespace CanteraSpectra {
/**
* @param Bv Rotational constant, wavenumbers
* Constructor.
*
* @param Bv Rotational constant, wavenumbers.
* @dipoleMoment permanent dipole moment.
* @param Dv Coefficient describing centrifugal
* effects on the bond length. For a rigid rotor, Bv = 0.
* effects on the bond length. For a rigid rotor, Bv = 0.
* @param Hv Coefficient describing higher-order vibration-rotation
* interactions. For a rigid rotor, Hv = 0.
* @dipoleMoment permanent dipole moment.
*/
Rotor::Rotor(doublereal Bv, doublereal dipoleMoment,
doublereal Dv, doublereal Hv ) : m_Bv(Bv),
@@ -81,18 +83,23 @@ namespace Cantera {
return degeneracy(J)*exp(-wnum_to_J(energy_w(J))/(Boltzmann*T));
}
/** The difference in the energies of an upper and a lower state.
*
/**
* The frequency at which radiation is absorbed by a transition
* from the lower to the upper state in wavenumber units.
*/
doublereal Rotor::frequency(int J_lower, int J_upper) {
return (energy_w(J_upper) - energy_w(J_lower));
}
/**
* The spectral intensity of a rotational transition.
*/
doublereal Rotor::intensity(int J_lower, int J_upper, doublereal T) {
int dJ = J_upper - J_lower;
if (dJ > 1 || dJ < -1) return 0;
return relPopulation(J_lower, T);
}
}
}

31
Cantera/src/spectra/rotor.h
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@@ -1,45 +1,45 @@
#ifndef CT_ROTOR
#define CT_ROTOR
/**
* @file rotor.h
* Header file for class Rotor.
*/
/**
* @defgroup spectra Spectroscopic Models
* @defgroup spectroscopy Spectroscopic Models
*
* These classes are used to simulate the absorption and emission spectra of
* molecules.
*/
/*
* @ingroup thermoprops
*/
#ifndef CT_ROTOR
#define CT_ROTOR
#include "ct_defs.h"
using namespace Cantera;
namespace Cantera {
/**
* Namespace for spectroscopic functions and classes.
*/
namespace CanteraSpectra {
/**
* Class Rotor represents a non-rigid quantum-mechanical rotor.
* @ingroup spectra
* @ingroup spectroscopy
*/
class Rotor {
public:
/// Default Constructor.
Rotor() {}
/// Destructor.
virtual ~Rotor() {}
/*
*/
/// Full Constructor.
Rotor(doublereal Bv, doublereal dipoleMoment = 0.0,
doublereal Dv = 0.0, doublereal Hv = 0.0);
/// energy in wavenumbers
doublereal energy_w(int J);
/// degeneracy
int degeneracy(int J);
doublereal partitionFunction(doublereal T, int cutoff=-1);
@@ -66,6 +66,7 @@ namespace Cantera {
return freq/(100.0*lightSpeed);
}
/** Convert from wavenumbers to Joules. */
inline doublereal wnum_to_J(doublereal w) {
return Planck * w * 100.0 * lightSpeed;
}

173
Cantera/src/thermo/AdsorbateThermo.h
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@@ -1,5 +1,5 @@
/**
* @file HarmonicOscThermo.h
* @file AdsorbateThermo.h
*
* Header for a single-species standard
* state object derived from \link Cantera::SpeciesThermoInterpType
@@ -21,12 +21,11 @@
#include "SpeciesThermoInterpType.h"
#include <iostream>
using namespace std;
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
@@ -86,9 +85,9 @@ namespace Cantera {
return (SpeciesThermoInterpType *) np;
}
virtual void install(string name, int index, int type,
const doublereal* c,
doublereal minTemp, doublereal maxTemp, doublereal refPressure) {
virtual void install(std::string name, int index, int type,
const doublereal* c, doublereal minTemp, doublereal maxTemp,
doublereal refPressure) {
m_be = c[1];
m_nFreqs = int(c[0]);
for (int n = 0; n < m_nFreqs; n++) {
@@ -120,61 +119,61 @@ namespace Cantera {
virtual int speciesIndex() const { return m_index; }
//! 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.
*
* @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).
*/
void updatePropertiesTemp(const doublereal temp,
doublereal* cp_R,
doublereal* h_RT,
doublereal* s_R) const {
h_RT[m_index] = _energy_RT(temp);
cp_R[m_index] = (temp*h_RT[m_index]
- (temp-0.01)*_energy_RT(temp-0.01))/0.01;
s_R[m_index] = h_RT[m_index] - _free_energy_RT(temp);
}
//!This utility function reports back the type of
//! parameterization and all of the parameters for the
//! species, index.
/*!
* All parameters are output variables
*
* @param n Species index
* @param type Integer type of the standard type
* @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.
*/
void reportParameters(int &n, int &type,
doublereal &tlow, doublereal &thigh,
doublereal &pref,
doublereal* const coeffs) const {
n = m_index;
type = ADSORBATE;
tlow = m_lowT;
thigh = m_highT;
pref = m_Pref;
coeffs[0] = m_nFreqs;
coeffs[1] = m_be;
for (int i = 2; i < m_nFreqs+2; i++) {
coeffs[i] = m_freq[i-2];
}
}
//! 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.
*
* @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).
*/
void updatePropertiesTemp(const doublereal temp,
doublereal* cp_R,
doublereal* h_RT,
doublereal* s_R) const {
h_RT[m_index] = _energy_RT(temp);
cp_R[m_index] = (temp*h_RT[m_index]
- (temp-0.01)*_energy_RT(temp-0.01))/0.01;
s_R[m_index] = h_RT[m_index] - _free_energy_RT(temp);
}
//! This utility function reports back the type of
/*! parameterization and all of the parameters for the
* species, index.
*
* All parameters are output variables
*
* @param n Species index
* @param type Integer type of the standard type
* @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.
*/
void reportParameters(int &n, int &type,
doublereal &tlow, doublereal &thigh,
doublereal &pref,
doublereal* const coeffs) const {
n = m_index;
type = ADSORBATE;
tlow = m_lowT;
thigh = m_highT;
pref = m_Pref;
coeffs[0] = m_nFreqs;
coeffs[1] = m_be;
for (int i = 2; i < m_nFreqs+2; i++) {
coeffs[i] = m_freq[i-2];
}
}
protected:
//! lowest valid temperature
@@ -193,36 +192,36 @@ namespace Cantera {
doublereal m_be;
doublereal _energy_RT(double T) const {
doublereal x, hnu_kt, hnu, sum = 0.0;
doublereal kt = T*Boltzmann;
int i;
for (i = 0; i < m_nFreqs; i++) {
hnu = Planck * m_freq[i];
hnu_kt = hnu/kt;
x = exp(-hnu_kt);
sum += hnu_kt * x/(1.0 - x);
doublereal _energy_RT(double T) const {
doublereal x, hnu_kt, hnu, sum = 0.0;
doublereal kt = T*Boltzmann;
int i;
for (i = 0; i < m_nFreqs; i++) {
hnu = Planck * m_freq[i];
hnu_kt = hnu/kt;
x = exp(-hnu_kt);
sum += hnu_kt * x/(1.0 - x);
}
return sum + m_be/(GasConstant*T);
}
return sum + m_be/(GasConstant*T);
}
doublereal _free_energy_RT(double T) const {
doublereal x, hnu_kt, sum = 0.0;
doublereal kt = T*Boltzmann;
int i;
for (i = 0; i < m_nFreqs; i++) {
hnu_kt = Planck * m_freq[i] / kt;
x = exp(-hnu_kt);
sum += log(1.0 - x);
doublereal _free_energy_RT(double T) const {
doublereal x, hnu_kt, sum = 0.0;
doublereal kt = T*Boltzmann;
int i;
for (i = 0; i < m_nFreqs; i++) {
hnu_kt = Planck * m_freq[i] / kt;
x = exp(-hnu_kt);
sum += log(1.0 - x);
}
return sum + m_be/(GasConstant*T);
}
return sum + m_be/(GasConstant*T);
}
doublereal _entropy_R(double T) const {
return _energy_RT(T) - _free_energy_RT(T);
}
doublereal _entropy_R(double T) const {
return _energy_RT(T) - _free_energy_RT(T);
}
};
};
}
#endif

48
Cantera/src/thermo/Phase.h
View File

@@ -1,9 +1,12 @@
/**
* @file Phase.h
* Header file for class, Phase, which contains functions for setting the
* state of a phase, and for referencing species by name, and also contains text for the module phases
* (see \ref phases and class \link Cantera::Phase Phase\endlink).
*
* Header file for class, Phase, which contains functions for
* setting the state of a phase, and for referencing species by
* name, and also contains text for the module phases (see \ref
* phases and class \link Cantera::Phase Phase\endlink).
*/
/*
* $Author$
* $Revision$
@@ -25,7 +28,7 @@ namespace Cantera {
/**
* @defgroup phases Phases of Matter
* @defgroup phases Models of Phases of Matter
*
* These classes are used to represent the composition and state of a
* single phase of matter.
@@ -44,8 +47,9 @@ namespace Cantera {
* the phases may then be described using stoichiometry base on the
* same Elements class object.
*
* The member functions of class %Elements return information about the elements described
* in a particular instantiation of the class.
* The member functions of class %Elements return information about
* the elements described in a particular instantiation of the
* class.
*
* Class %Constituents is designed to provide information
* about the elements and species in a phase - names, index
@@ -64,9 +68,9 @@ namespace Cantera {
* %Constituents also contains utilities retrieving the index of
* a species in the phase given its name, Constituents::speciesIndex().
*
* Class State manages the independent variables of temperature, mass density,
* and species mass/mole fraction that define the thermodynamic
* state.
* Class State manages the independent variables of temperature,
* mass density, and species mass/mole fraction that define the
* thermodynamic state.
*
* Class %State stores just enough information about a
* multicomponent solution to specify its intensive thermodynamic
@@ -79,18 +83,20 @@ namespace Cantera {
* Class %State is not usually used directly in application
* programs. Its primary use is as a base class for class
* Phase. Class %State has no virtual methods, and none of its
* methods are meant to be overloaded. However, this is one exception.
* If the phase is incompressible, then the density must be replaced
* by the pressure as the independent variable. In this case, functions
* such as State::setMassFractions() within the class %State must actually now
* calculate the density (at constant <I>T</I> and <I>P</I>) instead of leaving
* it alone as befits an independent variable. Therefore, these types
* of functions are virtual functions and need to be overloaded
* for incompressible phases. Note, for nearly incompressible phases
* (or phases which utilize standard states based on a <I>T</I> and <I>P</I>) this
* change in independent variables may be advantageous as well,
* and these functions in %State need to overload as well so that the
* storred density within State doesn't become out of date.
* methods are meant to be overloaded. However, this is one
* exception. If the phase is incompressible, then the density
* must be replaced by the pressure as the independent variable. In
* this case, functions such as State::setMassFractions() within
* the class %State must actually now calculate the density (at
* constant <I>T</I> and <I>P</I>) instead of leaving it alone as
* befits an independent variable. Therefore, these types of
* functions are virtual functions and need to be overloaded for
* incompressible phases. Note, for nearly incompressible phases
* (or phases which utilize standard states based on a <I>T</I> and
* <I>P</I>) this change in independent variables may be
* advantageous as well, and these functions in %State need to
* overload as well so that the storred density within State
* doesn't become out of date.
*
* Class Phase derives from both clases
* Constituents and State. In addition to the methods of those two

20
Cantera/src/thermo/PureFluidPhase.h
View File

@@ -1,12 +1,11 @@
/**
* @file PureFluidPhase.h
* Header for a ThermoPhase object for a pure fluid phase consisting of
* gas, liquid, mixed-gas-liquid
* and supercrit fluid (see \ref thermoprops
* and class \link Cantera::PureFluidPhase PureFluidPhase\endlink).
*
*
* This object is only available if the WITH_PURE_FLUIDS optional compile
* Header for a ThermoPhase class for a pure fluid phase consisting of
* gas, liquid, mixed-gas-liquid and supercrit fluid (see \ref thermoprops
* and class \link Cantera::PureFluidPhase PureFluidPhase\endlink).
*
* This class is only available if the WITH_PURE_FLUIDS optional compile
* capability has been turned on in Cantera's makefile system.
* It inherits from ThermoPhase, but is built on top of the tpx package.
*/
@@ -40,11 +39,12 @@ namespace tpx {
namespace Cantera {
//! This phase object consists of a single component that can be a gas, a liquid,
//! a mixed gas-liquid fluid, or a fluid beyond its critical point
//! This phase object consists of a single component that can be a
//! gas, a liquid, a mixed gas-liquid fluid, or a fluid beyond its
//! critical point
/*!
* The object inherits from ThermoPhase. However, its build on top of the
* tpx package.
* The object inherits from ThermoPhase. However, its build on top
* of the tpx package.
*
*
* <H2> Specification of Species Standard State Properties </H2>

2
Cantera/src/thermo/SpeciesThermo.h
View File

@@ -123,7 +123,7 @@ namespace Cantera {
* at a set number of temperatures. Between each temperature
* the heat capacity is treated as a constant.
* .
* .
* @ingroup phases .
*/
//@{

5
Cantera/src/thermo/ThermoPhase.h
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@@ -1,8 +1,10 @@
/**
* @file ThermoPhase.h
*
* Header file for class ThermoPhase, the base class for phases with
* thermodynamic properties, and the text for the Module thermoprops
* (see \ref thermoprops and class \link Cantera::ThermoPhase ThermoPhase\endlink).
* (see \ref thermoprops and class \link Cantera::ThermoPhase
* ThermoPhase\endlink).
*/
/*
@@ -174,6 +176,7 @@ namespace Cantera {
* read ThermoPhases from XML files.
* @see newPhase(XML_Node &phase) How to call the Factory routine to create
* and initialize %ThermoPhase objects.
* @ingroup phases
*/

8
Cantera/src/transport/TransportBase.h
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@@ -12,6 +12,14 @@
// Copyright 2001-2003 California Institute of Technology
/**
* @defgroup tranprops Transport Properties
*
* @ingroup phases
*
* These classes provide transport properties.
*/
#ifndef CT_TRANSPORTBASE_H
#define CT_TRANSPORTBASE_H