IdealSolnGasVPSS.h

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/**
 *  @file IdealSolnGasVPSS.h
 * Definition file for a derived class of ThermoPhase that assumes
 * an ideal solution approximation and handles
 * variable pressure standard state methods for calculating
 * thermodynamic properties (see @ref thermoprops and
 * class @link Cantera::IdealSolnGasVPSS IdealSolnGasVPSS@endlink).
 */
 
// This file is part of Cantera. See License.txt in the top-level directory or
// at https://cantera.org/license.txt for license and copyright information.
 
#ifndef CT_IDEALSOLNGASVPSS_H
#define CT_IDEALSOLNGASVPSS_H
 
#include "VPStandardStateTP.h"
 
namespace Cantera
{
 
/**
 * @ingroup thermoprops
 *
 * An ideal solution approximation of a phase. Uses variable
 * pressure standard state methods for calculating thermodynamic properties.
 */
class IdealSolnGasVPSS : public VPStandardStateTP
{
public:
    //! Create an object from an input file
    explicit IdealSolnGasVPSS(const string& infile="", string id="");
 
    //! @name  Utilities (IdealSolnGasVPSS)
    //! @{
 
    string type() const override {
        return "ideal-solution-VPSS";
    }
 
    bool isIdeal() const override {
        return true;
    }
 
    //! Set the standard concentration model
    /**
     * Must be one of 'unity', 'species-molar-volume', or 'solvent-molar-volume'.
     */
    void setStandardConcentrationModel(const string& model);
 
    //! @}
    //! @name Molar Thermodynamic Properties
    //! @{
 
    double enthalpy_mole() const override;
    double entropy_mole() const override;
    double cp_mole() const override;
 
    //! Molar heat capacity at constant volume.
    //!
    //! For an ideal solution with pressure-dependent standard state volumes, the
    //! thermodynamic identity @f$ c_v = c_p - T v \beta^2 / \kappa_T @f$ is used, where
    //! @f$ \beta @f$ and @f$ \kappa_T @f$ are the mixture thermal expansion coefficient
    //! and isothermal compressibility, respectively.
    //!
    //! If all species have pressure-independent standard state volumes
    //! (@f$ \kappa_T = 0 @f$), then @f$ c_v = c_p @f$.
    double cv_mole() const override;
 
    //! @}
    //! @name Mechanical Properties
    //! @{
 
    void setPressure(double p) override;
 
    //! Isothermal compressibility of the mixture.
    /*!
     * Computed as
     * @f[
     *   \kappa_T = -\frac{1}{v}
     *       \sum_k X_k \left.\frac{\partial V^\circ_k}{\partial P}\right|_T
     * @f]
     * using the species standard state volume derivatives from each PDSS object. For
     * phases where all species have pressure-independent standard state volumes,
     * returns zero.
     */
    double isothermalCompressibility() const override;
 
    //! Thermal expansion coefficient of the mixture.
    /*!
     * Computed as
     * @f[
     *   \beta = \frac{1}{v}
     *       \sum_k X_k \left.\frac{\partial V^\circ_k}{\partial T}\right|_P
     * @f]
     * using the species standard state volume derivatives from each PDSS object.
     */
    double thermalExpansionCoeff() const override;
 
protected:
    void calcDensity() override;
    //! @}
 
public:
    Units standardConcentrationUnits() const override;
    void getActivityConcentrations(span<double> c) const override;
 
    //! Returns the standard concentration @f$ C^0_k @f$, which is used to
    //! normalize the generalized concentration.
    /*!
     * This is defined as the concentration by which the generalized
     * concentration is normalized to produce the activity. In many cases, this
     * quantity will be the same for all species in a phase.
     *
     * @param k Optional parameter indicating the species. The default
     *          is to assume this refers to species 0.
     * @return
     *   Returns the standard Concentration in units of m3 kmol-1.
     */
    double standardConcentration(size_t k=0) const override;
 
    void getActivityCoefficients(span<double> ac) const override;
 
 
    //! @name  Partial Molar Properties of the Solution
    //! @{
 
    void getChemPotentials(span<double> mu) const override;
    void getPartialMolarEnthalpies(span<double> hbar) const override;
    void getPartialMolarEntropies(span<double> sbar) const override;
    void getPartialMolarIntEnergies(span<double> ubar) const override;
    void getPartialMolarCp(span<double> cpbar) const override;
    void getPartialMolarVolumes(span<double> vbar) const override;
    //! @}
 
public:
    //! @name Initialization Methods - For Internal use
    //!
    //! The following methods are used in the process of constructing the phase
    //! and setting its parameters from a specification in an input file. They
    //! are not normally used in application programs. To see how they are used,
    //! see importPhase().
    //! @{
 
    bool addSpecies(shared_ptr<Species> spec) override;
    void initThermo() override;
    void getParameters(AnyMap& phaseNode) const override;
    void setToEquilState(span<const double> lambda_RT) override;
 
    //! @}
 
protected:
    //! form of the generalized concentrations
    /*!
     *    - 0 unity (default)
     *    - 1 1/V_k
     *    - 2 1/V_0
     */
    int m_formGC = 0;
 
    //! Temporary storage - length = m_kk.
    vector<double> m_pp;
};
}
 
#endif