ReactionRateModelPalandriKharaka.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/Types.hpp>
#include <Reaktoro/Core/Params.hpp>
#include <Reaktoro/Core/ReactionRateModel.hpp>
 
namespace Reaktoro {
 
struct ReactionRateModelParamsPalandriKharaka
{
    struct Catalyst
    {
        String formula;
 
        String property = "a";
 
        real power = 0.0;
    };
 
    struct Mechanism
    {
        String name;
 
        real lgk;
 
        real E;
 
        real p = 1.0;
 
        real q = 1.0;
 
        Vec<Catalyst> catalysts;
    };
 
    String mineral;
 
    Strings othernames;
 
    Vec<Mechanism> mechanisms;
};
 
auto ReactionRateModelPalandriKharaka() -> ReactionRateModelGenerator;
 
auto ReactionRateModelPalandriKharaka(Params const& params) -> ReactionRateModelGenerator;
 
auto ReactionRateModelPalandriKharaka(ReactionRateModelParamsPalandriKharaka const& params) -> ReactionRateModelGenerator;
 
auto ReactionRateModelPalandriKharaka(Vec<ReactionRateModelParamsPalandriKharaka> const& paramsvec) -> ReactionRateModelGenerator;
 
} // namespace Reaktoro