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Doxygen update on SingleSpeciesTP

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double to doublereal conversions

made sure const parameters match on setTemperature()
This commit is contained in:
Harry Moffat 2010-01-15 20:22:09 +00:00
parent 8ea0c8197e
commit 3587de40b7
7 changed files with 156 additions and 104 deletions
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4
Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp
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@ -615,9 +615,9 @@ namespace Cantera {
// This is temporary. We will get rid of this
void IonsFromNeutralVPSSTP::setTemperature(doublereal t) {
void IonsFromNeutralVPSSTP::setTemperature(const doublereal temp) {
double p = pressure();
IonsFromNeutralVPSSTP::setState_TP(t, p);
IonsFromNeutralVPSSTP::setState_TP(temp, p);
}
// This is temporary. We will get rid of this

2
Cantera/src/thermo/IonsFromNeutralVPSSTP.h
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@ -458,7 +458,7 @@ namespace Cantera {
* @{
*/
virtual void setTemperature(doublereal t);
virtual void setTemperature(const doublereal t);
virtual void setPressure(doublereal p);
//! Set the temperature (K) and pressure (Pa)

108
Cantera/src/thermo/SingleSpeciesTP.cpp
View file

@ -232,20 +232,29 @@ namespace Cantera {
* of the zeroeth species.
*/
/**
* Get the array of chemical potentials at unit activity
* These are the standard state chemical potentials.
* \f$ \mu^0_k \f$.
// Get the array of chemical potentials at unit activity
/*
* These are the standard state chemical potentials. \f$ \mu^0_k \f$.
*
* @param mu On return, Contains the chemical potential of the single species
* and the phase. Units are J / kmol . Length = 1
*/
void SingleSpeciesTP::getChemPotentials(doublereal* mu) const {
getStandardChemPotentials(mu);
}
/**
* Get the array of non-dimensional species chemical potentials
* These are partial molar Gibbs free energies.
* \f$ \mu_k / \hat R T \f$.
// Get the array of non-dimensional species chemical potentials
// These are partial molar Gibbs free energies.
/*
* These are the standard state dimensionless chemical potentials.
* \f$ \mu_k / \hat R T \f$.
*
* Units: unitless
*
* @param murt On return, Contains the chemical potential / RT of the single species
* and the phase. Units are unitless. Length = 1
*/
void SingleSpeciesTP::getChemPotentials_RT(doublereal* murt) const {
getStandardChemPotentials(murt);
@ -253,21 +262,27 @@ namespace Cantera {
murt[0] /= rt;
}
/**
* Get the species electrochemical potentials. Units: J/kmol.
// Get the species electrochemical potentials. Units: J/kmol.
/*
* This method adds a term \f$ Fz_k \phi_k \f$ to
* each chemical potential.
*
* This is resolved here. A single single species phase
* is not allowed to have anything other than a zero
* charge.
* This is resolved here. A single species phase
* is not allowed to have anything other than a zero charge.
*
* @param murt On return, Contains the chemical potential / RT of the single species
* and the phase. Units are unitless. Length = 1
*/
void SingleSpeciesTP::getElectrochemPotentials(doublereal* mu) const {
getChemPotentials(mu);
}
/**
* Get the species partial molar enthalpies. Units: J/kmol.
// Get the species partial molar enthalpies. Units: J/kmol.
/*
* These are the phase enthalpies. \f$ h_k \f$.
*
* @param hbar On return, Contains the enthalpy of the single species
* and the phase. Units are J / kmol . Length = 1
*/
void SingleSpeciesTP::
getPartialMolarEnthalpies(doublereal* hbar) const {
@ -276,8 +291,15 @@ namespace Cantera {
hbar[0] *= _rt;
}
/**
* Get the species partial molar internal energies. Units: J/kmol.
// Get the species partial molar internal energies. Units: J/kmol.
/*
* These are the phase internal energies. \f$ u_k \f$.
*
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param ubar On return, Contains the internal energy of the single species
* and the phase. Units are J / kmol . Length = 1
*/
void SingleSpeciesTP::
getPartialMolarIntEnergies(doublereal* ubar) const {
@ -286,8 +308,15 @@ namespace Cantera {
ubar[0] *= _rt;
}
/**
* Get the species partial molar entropy. Units: J/kmol K.
// Get the species partial molar entropy. Units: J/kmol K.
/*
* This is the phase entropy. \f$ s(T,P) = s_o(T,P) \f$.
*
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param sbar On return, Contains the entropy of the single species
* and the phase. Units are J / kmol / K . Length = 1
*/
void SingleSpeciesTP::
getPartialMolarEntropies(doublereal* sbar) const {
@ -295,16 +324,30 @@ namespace Cantera {
sbar[0] *= GasConstant;
}
/**
* Get the species partial molar Heat Capacities. Units: J/kmol K.
// Get the species partial molar Heat Capacities. Units: J/ kmol K.
/*
* This is the phase heat capacity. \f$ Cp(T,P) = Cp_o(T,P) \f$.
*
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param cpbar On return, Contains the heat capacity of the single species
* and the phase. Units are J / kmol / K . Length = 1
*/
void SingleSpeciesTP::getPartialMolarCp(doublereal* cpbar) const {
getCp_R(cpbar);
cpbar[0] *= GasConstant;
}
/**
* Get the species partial molar volumes. Units: m^3/kmol.
// Get the species partial molar volumes. Units: m^3/kmol.
/*
* This is the phase molar volume. \f$ V(T,P) = V_o(T,P) \f$.
*
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param cpbar On return, Contains the molar volume of the single species
* and the phase. Units are m^3 / kmol. Length = 1
*/
void SingleSpeciesTP::getPartialMolarVolumes(doublereal* vbar) const {
double mw = molecularWeight(0);
@ -317,7 +360,7 @@ namespace Cantera {
* -----
*/
/**
/*
* Get the dimensional Gibbs functions for the standard
* state of the species at the current T and P.
*/
@ -326,14 +369,17 @@ namespace Cantera {
gpure[0] *= GasConstant * temperature();
}
/**
* Get the molar volumes of each species in their standard
* states at the current
* <I>T</I> and <I>P</I> of the solution.
* units = m^3 / kmol
// Get the molar volumes of each species in their standard
// states at the current <I>T</I> and <I>P</I> of the solution.
/*
* units = m^3 / kmol
*
* We resolve this function at this level, by assigning
* the molec weight divided by the phase density
* the molecular weight divided by the phase density
*
* @param vbar On output this contains the standard volume of the species
* and phase (m^3/kmol). Vector of length 1
*/
void SingleSpeciesTP::getStandardVolumes(doublereal* vbar) const {
double mw = molecularWeight(0);

114
Cantera/src/thermo/SingleSpeciesTP.h
View file

@ -256,49 +256,47 @@ namespace Cantera {
* standard state functions for species 0
*/
/**
* Get the array of non-dimensional species chemical potentials
* These are partial molar Gibbs free energies.
* \f$ \mu_k / \hat R T \f$.
//! Get the array of non-dimensional species chemical potentials
//! These are partial molar Gibbs free energies.
/*!
* These are the phase, partial molar, and the standard state
* dimensionless chemical potentials.
* \f$ \mu_k / \hat R T \f$.
*
* Units: unitless
*
* This function is resolved here by calling the standard state
* thermo function.
*
* @param mu Output vector of dimensionless chemical potentials.
* Length: m_kk.
* @param murt On return, Contains the chemical potential / RT of the single species
* and the phase. Units are unitless. Length = 1
*/
void getChemPotentials_RT(doublereal* mu) const;
void getChemPotentials_RT(doublereal* murt) const;
/**
* Get the species chemical potentials in the solution
* These are partial molar Gibbs free energies.
* Units: J/kmol.
//! Get the array of chemical potentials
/*!
* These are the phase, partial molar, and the standard state chemical potentials.
* \f$ \mu(T,P) = \mu^0_k(T,P) \f$.
*
* This function is resolved here by calling the standard state
* thermo function.
*
* @param mu Output vector of species chemical
* potentials. Length: m_kk. Units: J/kmol
* @param mu On return, Contains the chemical potential of the single species
* and the phase. Units are J / kmol . Length = 1
*/
void getChemPotentials(doublereal* mu) const;
/**
* Get the species electrochemical potentials. Units: J/kmol.
//! Get the species electrochemical potentials. Units: J/kmol.
/*!
* This method adds a term \f$ Fz_k \phi_k \f$ to
* each chemical potential.
*
* This is resolved here. A single single species phase
* is not allowed to have anything other than a zero
* charge.
* This is resolved here. A single species phase
* is not allowed to have anything other than a zero charge.
*
* @param mu Output vector of species electrochemical
* potentials. Length: m_kk. Units: J/kmol
* @param mu On return, Contains the electrochemical potential of the single species
* and the phase. Units J/kmol . Length = 1
*/
void getElectrochemPotentials(doublereal* mu) const;
//! Get the species partial molar enthalpies. Units: J/kmol.
/*!
* These are the phase enthalpies. \f$ h_k \f$.
*
* This function is resolved here by calling the standard state
* thermo function.
*
@ -307,43 +305,52 @@ namespace Cantera {
*/
void getPartialMolarEnthalpies(doublereal* hbar) const;
//! Get the species partial molar enthalpies. Units: J/kmol.
//! Get the species partial molar internal energies. Units: J/kmol.
/*!
* This function is resolved here by calling the standard state
* thermo function.
* These are the phase internal energies. \f$ u_k \f$.
*
* @param ubar Output vector of speciar partial molar internal energies.
* Length = m_kk. units are J/kmol.
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param ubar On return, Contains the internal energy of the single species
* and the phase. Units are J / kmol . Length = 1
*/
virtual void getPartialMolarIntEnergies(doublereal* ubar) const;
//! Get the species partial molar entropies. Units: J/kmol/K.
//! Get the species partial molar entropy. Units: J/kmol K.
/*!
* This function is resolved here by calling the standard state
* thermo function.
* This is the phase entropy. \f$ s(T,P) = s_o(T,P) \f$.
*
* @param sbar Output vector of species partial molar entropies.
* Length = 1. units are J/kmol/K.
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param sbar On return, Contains the entropy of the single species
* and the phase. Units are J / kmol / K . Length = 1
*/
void getPartialMolarEntropies(doublereal* sbar) const;
//! Get the species partial molar heat capacties. Units: J/kmol/K.
//! Get the species partial molar Heat Capacities. Units: J/ kmol /K.
/*!
* This function is resolved here by calling the standard state
* thermo function.
* This is the phase heat capacity. \f$ Cp(T,P) = Cp_o(T,P) \f$.
*
* @param cpbar Output vector of species partial molar heat capacities
* Length = 1. units are J/kmol/K.
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param cpbar On return, Contains the heat capacity of the single species
* and the phase. Units are J / kmol / K . Length = 1
*/
void getPartialMolarCp(doublereal* cpbar) const;
//! Get the species partial molar volumes. Units: m^3/kmol.
/*!
* This function is resolved here by calling the density function.
* This is the phase molar volume. \f$ V(T,P) = V_o(T,P) \f$.
*
* @param vbar Output vector of speciar partial molar volumes.
* Length = 1. units are m^3/kmol.
* This member function is resolved here. A single species phase obtains its
* thermo from the standard state function.
*
* @param vbar On return, Contains the molar volume of the single species
* and the phase. Units are m^3 / kmol. Length = 1
*/
void getPartialMolarVolumes(doublereal* vbar) const;
@ -367,19 +374,18 @@ namespace Cantera {
*/
void getPureGibbs(doublereal* gpure) const;
/**
* Get the molar volumes of each species in their standard
* states at the current
* <I>T</I> and <I>P</I> of the solution.
* units = m^3 / kmol
//! Get the molar volumes of each species in their standard
//! states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* units = m^3 / kmol
*
* We resolve this function at this level, by assigning
* the molec weight divided by the phase density
* the molecular weight divided by the phase density
*
* @param vol vector of length one, containing the standard volume
* of the phase.
* @param vbar On output this contains the standard volume of the species
* and phase (m^3/kmol). Vector of length 1
*/
void getStandardVolumes(doublereal *vol) const;
void getStandardVolumes(doublereal *vbar) const;
//@}

4
Cantera/src/thermo/VPStandardStateTP.cpp
View file

@ -357,8 +357,8 @@ namespace Cantera {
}
void VPStandardStateTP::setTemperature(doublereal t) {
setState_TP(t, m_Pcurrent);
void VPStandardStateTP::setTemperature(const doublereal temp) {
setState_TP(temp, m_Pcurrent);
updateStandardStateThermo();
}

6
Cantera/src/thermo/VPStandardStateTP.h
View file

@ -282,9 +282,9 @@ namespace Cantera {
* make sense to calculate the standard state without first
* setting T and P.
*
* @param T Temperature (kelvin)
* @param temp Temperature (kelvin)
*/
virtual void setTemperature(const doublereal T);
virtual void setTemperature(const doublereal temp);
//! Set the internally storred pressure (Pa) at constant
@ -296,7 +296,7 @@ namespace Cantera {
*
* @param p input Pressure (Pa)
*/
virtual void setPressure(const doublereal p);
virtual void setPressure(doublereal p);
protected:
/**

22
Cantera/src/thermo/WaterProps.h
View file

@ -164,7 +164,7 @@ namespace Cantera {
*
* units = returns density in kg m-3.
*/
static double density_T(double T, double P, int ifunc);
static doublereal density_T(doublereal T, doublereal P, int ifunc);
//! Bradley-Pitzer equation for the dielectric constant
@ -200,7 +200,7 @@ namespace Cantera {
* value at 25C and 1 atm, relEps = 78.38
*
*/
double relEpsilon(double T, double P_pascal, int ifunc = 0);
doublereal relEpsilon(doublereal T, doublereal P_pascal, int ifunc = 0);
//! ADebye calculates the value of A_Debye as a function
@ -243,7 +243,7 @@ namespace Cantera {
* - ifunc = 3 return pressure first derivative
* .
*
* @return Returns a single double whose meaning depends on ifunc:
* @return Returns a single doublereal whose meaning depends on ifunc:
* - ifunc = 0 return value
* - ifunc = 1 return temperature derivative
* - ifunc = 2 return temperature second derivative
@ -258,7 +258,7 @@ namespace Cantera {
* the Pitzer table p. 99 to 4 significant digits at 25C.
* and 20C. (Aphi = ADebye/3)
*/
double ADebye(double T, double P, int ifunc);
doublereal ADebye(doublereal T, doublereal P, int ifunc);
//! Returns the saturation pressure given the temperature
@ -266,7 +266,7 @@ namespace Cantera {
* @param T temperature (kelvin)
* @return returns the saturation pressure (pascal)
*/
double satPressure(double T);
doublereal satPressure(doublereal T);
//! Returns the density of water
@ -277,14 +277,14 @@ namespace Cantera {
* @param T Temperature (kelvin)
* @param P pressure (pascal)
*/
double density_IAPWS(double T, double P);
doublereal density_IAPWS(doublereal T, doublereal P);
//! Returns the density of water
/*!
* This function uses the internal state of the
* underlying water object
*/
double density_IAPWS() const;
doublereal density_IAPWS() const;
//! returns the coefficient of thermal expansion
@ -292,14 +292,14 @@ namespace Cantera {
* @param T Temperature (kelvin)
* @param P pressure (pascal)
*/
double coeffThermalExp_IAPWS(double T, double P);
doublereal coeffThermalExp_IAPWS(doublereal T, doublereal P);
//! Returns the isothermal compressibility of water
/*!
* @param T temperature in kelvin
* @param P pressure in pascal
*/
double isothermalCompressibility_IAPWS(double T, double P);
doublereal isothermalCompressibility_IAPWS(doublereal T, doublereal P);
//! Returns the viscosity of water at the current conditions
//! (kg/m/s)
@ -316,7 +316,7 @@ namespace Cantera {
* for steam and for water, even near the critical point.
* Pressures above 500 MPa and temperature above 900 C are suspect.
*/
double viscosityWater() const;
doublereal viscosityWater() const;
//! Returns the thermal conductivity of water at the current conditions
//! (W/m/K)
@ -333,7 +333,7 @@ namespace Cantera {
* for steam and for water, even near the critical point.
* Pressures above 500 MPa and temperature above 900 C are suspect.
*/
double thermalConductivityWater() const;
doublereal thermalConductivityWater() const;