PhaseThermoModel.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/ThermoVector.hpp>
 
namespace Reaktoro {
 
template<typename VectorType>
struct PhaseThermoModelResultBase
{
    VectorType standard_partial_molar_gibbs_energies;
 
    VectorType standard_partial_molar_enthalpies;
 
    VectorType standard_partial_molar_volumes;
 
    VectorType standard_partial_molar_heat_capacities_cp;
 
    VectorType standard_partial_molar_heat_capacities_cv;
 
    VectorType ln_activity_constants;
};
 
using PhaseThermoModelResult = PhaseThermoModelResultBase<ThermoVectorRef>;
 
using PhaseThermoModelResultConst = PhaseThermoModelResultBase<ThermoVectorConstRef>;
 
using PhaseThermoModel = std::function<void(PhaseThermoModelResult&, Temperature, Pressure)>;
 
} // namespace Reaktoro