PhreeqcThermo.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright © 2014-2024 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
 
// Reaktoro includes
#include <Reaktoro/Common/Real.hpp>
#include <Reaktoro/Core/Model.hpp>
#include <Reaktoro/Core/ReactionStandardThermoModel.hpp>
#include <Reaktoro/Extensions/Phreeqc/PhreeqcLegacy.hpp> // ***BECAUSE PhreeqcLegacy.hpp IS INCLUDED HERE, MAKE SURE THIS HEADER FILE IS NOT EXPORTED!***
#include <Reaktoro/Extensions/Phreeqc/PhreeqcWater.hpp>
 
namespace Reaktoro {
namespace PhreeqcUtils {
 
auto standardVolume(const PhreeqcSpecies* species, real T, real P, const PhreeqcWaterProps& wprops) -> real;
 
auto standardVolumeIonicStrengthCorrection(const PhreeqcSpecies* species, real T, real P, real mu, const PhreeqcWaterProps& wprops) -> real;
 
auto standardVolume(const PhreeqcPhase* phase, real T, real P) -> real;
 
auto reactionThermoModel(const PhreeqcSpecies* species) -> ReactionStandardThermoModel;
 
auto reactionThermoModel(const PhreeqcPhase* phase) -> ReactionStandardThermoModel;
 
auto standardVolumeModel(const PhreeqcSpecies* species) -> Model<real(real,real)>;
 
auto standardVolumeModel(const PhreeqcPhase* phase) -> Model<real(real,real)>;
 
} // namespace PhreeqcUtils
} // namespace Reaktoro