PhaseIdentification.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright (C) 2014-2018 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
#include <Reaktoro/Common/ThermoScalar.hpp>
#include <Reaktoro/Common/ChemicalScalar.hpp>
 
namespace Reaktoro {
 
// Forward declarations
enum class PhaseType;
 
enum class PhaseIdentificationMethod
{
    None,
    VolumeMethod,
    IsothermalCompressibilityMethods,
    GibbsEnergyAndEquationOfStateMethod,
};
 
auto identifyPhaseUsingVolume(
    const ThermoScalar& temperature,
    const ThermoScalar& pressure,
    const ChemicalScalar& Z,
    const ChemicalScalar& b) -> PhaseType;
 
auto identifyPhaseUsingIsothermalCompressibility(
    const ThermoScalar& temperature,
    const ThermoScalar& pressure,
    const ChemicalScalar& Z) -> PhaseType;
    
auto identifyPhaseUsingGibbsEnergyAndEos(
    const ThermoScalar& pressure,
    const ThermoScalar& temperature,
    const ChemicalScalar& amix,
    const ChemicalScalar& bmix,
    const ChemicalScalar& A,
    const ChemicalScalar& B,
    const ChemicalScalar& C,
    std::vector<ChemicalScalar> Zs,
    const double epsilon,
    const double sigma) -> PhaseType;
 
}