AqueousChemicalModelDebyeHuckel.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 <map>
#include <memory>
 
// Reaktoro includes
#include <Reaktoro/Thermodynamics/Models/PhaseChemicalModel.hpp>
 
namespace Reaktoro {
 
// Forward declarations
class AqueousMixture;
class DebyeHuckelParams;
 
auto aqueousChemicalModelDebyeHuckel(const AqueousMixture& mixture, const DebyeHuckelParams& params) -> PhaseChemicalModel;
 
class DebyeHuckelParams
{
public:
    DebyeHuckelParams();
 
    auto aiondefault(double value) -> void;
 
    auto aiondefault() const -> double;
 
    auto aion(std::string name, double value) -> void;
 
    auto aion(const std::map<std::string, double>& pairs) -> void;
 
    auto aion(double value) -> void;
 
    auto aion(std::string name) const -> double;
 
    auto biondefault(double value) -> void;
 
    auto biondefault() const -> double;
 
    auto bion(std::string name, double value) -> void;
 
    auto bion(const std::map<std::string, double>& pairs) -> void;
 
    auto bion(double value) -> void;
 
    auto bion(std::string name) const -> double;
 
    auto bneutraldefault(double value) -> void;
 
    auto bneutraldefault() const -> double;
 
    auto bneutral(std::string name, double value) -> void;
 
    auto bneutral(const std::map<std::string, double>& pairs) -> void;
 
    auto bneutral(double value) -> void;
 
    auto bneutral(std::string name) const -> double;
 
    auto setLimitingLaw() -> void;
 
    auto setKielland1937() -> void;
 
    auto setWATEQ4F() -> void;
 
    auto setPHREEQC() -> void;
 
private:
    struct Impl;
 
    std::shared_ptr<Impl> pimpl;
};
 
} // namespace Reaktoro