diff --git a/Cantera/src/thermo/GibbsExcessVPSSTP.cpp b/Cantera/src/thermo/GibbsExcessVPSSTP.cpp index 6958d2b6b..4019c3886 100644 --- a/Cantera/src/thermo/GibbsExcessVPSSTP.cpp +++ b/Cantera/src/thermo/GibbsExcessVPSSTP.cpp @@ -257,15 +257,7 @@ namespace Cantera { return 0; } - //@} - /// @name Properties of the Standard State of the Species in the Solution - //@{ - - - - //@} - /// @name Thermodynamic Values for the Species Reference States - //@{ + double GibbsExcessVPSSTP::checkMFSum(const doublereal * const x) const { doublereal norm = accumulate(x, x + m_kk, 0.0); diff --git a/Cantera/src/thermo/GibbsExcessVPSSTP.h b/Cantera/src/thermo/GibbsExcessVPSSTP.h index 75242aec8..c9d27094f 100644 --- a/Cantera/src/thermo/GibbsExcessVPSSTP.h +++ b/Cantera/src/thermo/GibbsExcessVPSSTP.h @@ -1,9 +1,9 @@ /** - * @file gibbsExcessVPSSTP.h + * @file GibbsExcessVPSSTP.h * Header for intermediate ThermoPhase object for phases which * employ gibbs excess free energy based formulations * (see \ref thermoprops - * and class \link Cantera::gibbsExcessVPSSTP gibbsExcessVPSSTP\endlink). + * and class \link Cantera::GibbsExcessVPSSTP GibbsExcessVPSSTP\endlink). * * Header file for a derived class of ThermoPhase that handles * variable pressure standard state methods for calculating @@ -517,6 +517,10 @@ namespace Cantera { protected: + //! utility routine to check mole fraction sum + /*! + * @param x vector of mole fractions. + */ double checkMFSum(const doublereal * const x) const; protected: diff --git a/Cantera/src/thermo/MargulesVPSSTP.h b/Cantera/src/thermo/MargulesVPSSTP.h index 5f78c12fb..128caa440 100644 --- a/Cantera/src/thermo/MargulesVPSSTP.h +++ b/Cantera/src/thermo/MargulesVPSSTP.h @@ -1,5 +1,5 @@ /** - * @file Margules.h + * @file MargulesVPSSTP.h * Header for intermediate ThermoPhase object for phases which * employ gibbs excess free energy based formulations * (see \ref thermoprops diff --git a/Cantera/src/thermo/PDSS.h b/Cantera/src/thermo/PDSS.h index 1f542c417..ad989cfe8 100644 --- a/Cantera/src/thermo/PDSS.h +++ b/Cantera/src/thermo/PDSS.h @@ -100,6 +100,21 @@ namespace Cantera { * pressure dependencies to these thermo functions. * . * + * - PDSS_SSVol + * - standardState model = "constant_incompressible" || model == "constant" + * - standardState model = "temperature_polynomial" + * - standardState model = "density_temperature_polynomial" + * - This model assumes that the species in the phase obey a + * fairly general equation of state, but one that separates out + * the calculation of the standard state density and/or volume. + * Models include a cubic polynomial in temperature for either + * the standard state volume or the standard state density. + * The manager uses a SimpleThermo object to handle the + * calculation of the reference state. This object then adds the + * pressure dependencies and the volume terms to these thermo functions + * to complete the representation. + * . + * * - PDSS_Water_ * - standardState model = "Water" * - This model assumes that