diff --git a/Cantera/src/thermo/HMWSoln.h b/Cantera/src/thermo/HMWSoln.h index e6b82a2f2..5279b5164 100644 --- a/Cantera/src/thermo/HMWSoln.h +++ b/Cantera/src/thermo/HMWSoln.h @@ -551,7 +551,6 @@ namespace Cantera { * It can be shown that the expression * * - * * \f[ * B^{\phi}_{ca} = \beta^{(0)}_{ca} + \beta^{(1)}_{ca} \exp{(- \alpha^{(1)}_{ca} \sqrt{I})} * + \beta^{(2)}_{ca} \exp{(- \alpha^{(2)}_{ca} \sqrt{I} )} @@ -3191,6 +3190,7 @@ namespace Cantera { //! gamma_o value for the cutoff process at the zero solvent point doublereal MC_X_o_min_; + //! Parameter in the Molality Exp cutoff treatment /*! * This is the slope of the p function at the zero solvent point @@ -3213,10 +3213,16 @@ namespace Cantera { //! Parameter in the Molality Exp cutoff treatment doublereal MC_cpCut_; + //! Parameter in the Molality Exp cutoff treatment doublereal CROP_ln_gamma_o_min; + + //! Parameter in the Molality Exp cutoff treatment doublereal CROP_ln_gamma_o_max; + //! Parameter in the Molality Exp cutoff treatment doublereal CROP_ln_gamma_k_min; + + //! Parameter in the Molality Exp cutoff treatment doublereal CROP_ln_gamma_k_max; //! This is a boolean-type vector indicating whether @@ -3490,7 +3496,10 @@ namespace Cantera { //! Precalculate the IMS Cutoff parameters for typeCutoff = 2 void calcIMSCutoffParams_(); + + //! Calculate molality cut-off parameters void calcMCCutoffParams_(); + //! Utility function to assign an integer value from a string //! for the ElectrolyteSpeciesType field. /*! diff --git a/Cantera/src/thermo/State.h b/Cantera/src/thermo/State.h index 9265013fe..b5bd5eca8 100755 --- a/Cantera/src/thermo/State.h +++ b/Cantera/src/thermo/State.h @@ -335,7 +335,12 @@ namespace Cantera { //! True if the number species has been set bool ready() const; - + //! Every time the mole fractions have changed, this routine + //! will increment the stateMFNumber + /*! + * @param forceChange If this is true then the stateMFNumber always + * changes. This defaults to false. + */ void stateMFChangeCalc(bool forceChange = false); //! Return the state number @@ -423,7 +428,7 @@ namespace Cantera { }; - + //! Return the State Mole Fraction Number inline int State::stateMFNumber() const { return m_stateNum; } diff --git a/Cantera/src/thermo/WaterSSTP.cpp b/Cantera/src/thermo/WaterSSTP.cpp index 007c7eda0..312215b9c 100644 --- a/Cantera/src/thermo/WaterSSTP.cpp +++ b/Cantera/src/thermo/WaterSSTP.cpp @@ -112,11 +112,6 @@ namespace Cantera { - void WaterSSTP::constructPhase() { - throw CanteraError("WaterSSTP::constructPhase()", "unimplemented"); - - } - /* * @param infile XML file containing the description of the diff --git a/Cantera/src/thermo/WaterSSTP.h b/Cantera/src/thermo/WaterSSTP.h index 220c0e22f..178d9b7be 100644 --- a/Cantera/src/thermo/WaterSSTP.h +++ b/Cantera/src/thermo/WaterSSTP.h @@ -399,13 +399,24 @@ namespace Cantera { */ virtual doublereal vaporFraction() const; - + //! Set the temperature of the phase + /*! + * The density and composition of the phase is constant during this + * operator. + * + * @param temp Temperature (Kelvin) + */ virtual void setTemperature(const doublereal temp); + //! Set the density of the phase + /*! + * The temperature and composition of the phase is constant during this + * operator. + * + * @param dens value of the density in kg m-3 + */ virtual void setDensity(const doublereal dens); - void constructPhase(); - //! Initialization of a pure water phase using an //! xml file.