diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp index aaa88fe7c..df90bac16 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp @@ -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 diff --git a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h index f9070fa0c..88b05e786 100644 --- a/Cantera/src/thermo/IonsFromNeutralVPSSTP.h +++ b/Cantera/src/thermo/IonsFromNeutralVPSSTP.h @@ -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) diff --git a/Cantera/src/thermo/SingleSpeciesTP.cpp b/Cantera/src/thermo/SingleSpeciesTP.cpp index 3bdfe52b3..8e8372c47 100644 --- a/Cantera/src/thermo/SingleSpeciesTP.cpp +++ b/Cantera/src/thermo/SingleSpeciesTP.cpp @@ -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$. + * + * This member function is resolved here. A single species phase obtains its + * thermo from the standard state function. + * + * @param cpbar On return, Contains the molar volume of the single species + * and the phase. Units are m^3 / kmol. Length = 1 */ void SingleSpeciesTP::getPartialMolarVolumes(doublereal* vbar) const { double mw = molecularWeight(0); @@ -317,7 +360,7 @@ namespace Cantera { * ----- */ - /** + /* * Get the dimensional Gibbs functions for the standard * state of the species at the current T and P. */ @@ -326,14 +369,17 @@ namespace Cantera { gpure[0] *= GasConstant * temperature(); } - /** - * Get the molar volumes of each species in their standard - * states at the current - * T and P of the solution. - * units = m^3 / kmol + + // Get the molar volumes of each species in their standard + // states at the current T and P of the solution. + /* + * units = m^3 / kmol * * We resolve this function at this level, by assigning - * the molec weight divided by the phase density + * the molecular weight divided by the phase density + * + * @param vbar On output this contains the standard volume of the species + * and phase (m^3/kmol). Vector of length 1 */ void SingleSpeciesTP::getStandardVolumes(doublereal* vbar) const { double mw = molecularWeight(0); diff --git a/Cantera/src/thermo/SingleSpeciesTP.h b/Cantera/src/thermo/SingleSpeciesTP.h index 59e726bf2..8375b1eae 100644 --- a/Cantera/src/thermo/SingleSpeciesTP.h +++ b/Cantera/src/thermo/SingleSpeciesTP.h @@ -256,49 +256,47 @@ namespace Cantera { * standard state functions for species 0 */ - /** - * Get the array of non-dimensional species chemical potentials - * These are partial molar Gibbs free energies. - * \f$ \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 - * T and P of the solution. - * units = m^3 / kmol + //! Get the molar volumes of each species in their standard + //! states at the current T and P 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; //@} diff --git a/Cantera/src/thermo/VPStandardStateTP.cpp b/Cantera/src/thermo/VPStandardStateTP.cpp index 2c1da45e1..0367dd46d 100644 --- a/Cantera/src/thermo/VPStandardStateTP.cpp +++ b/Cantera/src/thermo/VPStandardStateTP.cpp @@ -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(); } diff --git a/Cantera/src/thermo/VPStandardStateTP.h b/Cantera/src/thermo/VPStandardStateTP.h index 4faed6a10..988ac937a 100644 --- a/Cantera/src/thermo/VPStandardStateTP.h +++ b/Cantera/src/thermo/VPStandardStateTP.h @@ -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: /** diff --git a/Cantera/src/thermo/WaterProps.h b/Cantera/src/thermo/WaterProps.h index b6099f7df..a738e20de 100644 --- a/Cantera/src/thermo/WaterProps.h +++ b/Cantera/src/thermo/WaterProps.h @@ -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;