PhaseChemicalModel.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
 
// C++ includes
#include <functional>
 
// Reaktoro includes
#include <Reaktoro/Common/ThermoScalar.hpp>
#include <Reaktoro/Common/ChemicalScalar.hpp>
#include <Reaktoro/Common/ChemicalVector.hpp>
 
namespace Reaktoro {
 
template<typename ScalarType, typename VectorType>
struct PhaseChemicalModelResultBase
{
    VectorType ln_activity_coefficients;
 
    VectorType ln_activities;
 
    VectorType partial_molar_volumes;
 
    ScalarType molar_volume;
 
    ScalarType residual_molar_gibbs_energy;
 
    ScalarType residual_molar_enthalpy;
 
    ScalarType residual_molar_heat_capacity_cp;
 
    ScalarType residual_molar_heat_capacity_cv;
};
 
using PhaseChemicalModelResult = PhaseChemicalModelResultBase<ChemicalScalarRef, ChemicalVectorRef>;
 
using PhaseChemicalModelResultConst = PhaseChemicalModelResultBase<ChemicalScalarConstRef, ChemicalVectorConstRef>;
 
using PhaseChemicalModel = std::function<void(PhaseChemicalModelResult&, Temperature, Pressure, VectorConstRef)>;
 
} // namespace Reaktoro