StandardThermoModelNasa.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/Core/AggregateState.hpp>
#include <Reaktoro/Core/StandardThermoModel.hpp>
 
namespace Reaktoro {
 
struct StandardThermoModelParamsNasa
{
    struct Polynomial
    {
        double Tmin; 
        double Tmax; 
 
        String label; 
        AggregateState state; 
 
        real a1; 
        real a2; 
        real a3; 
        real a4; 
        real a5; 
        real a6; 
        real a7; 
        real b1; 
        real b2; 
    };
 
    real dHf;
 
    real dH0;
 
    real H0;
 
    double T0;
 
    Vec<Polynomial> polynomials;
};
 
auto StandardThermoModelNasa(const StandardThermoModelParamsNasa& params) -> StandardThermoModel;
 
//=================================================================================================
// AUXILIARY METHODS
//=================================================================================================
 
namespace detail {
 
auto indexTemperatureInterval(const Vec<StandardThermoModelParamsNasa::Polynomial>& polynomials, const real& T) -> Index;
 
auto computeStandardThermoProps(const StandardThermoModelParamsNasa::Polynomial& polynomial, const real& T) -> StandardThermoProps;
 
auto computeStandardThermoProps(const StandardThermoModelParamsNasa& params, const real& T) -> StandardThermoProps;
 
} // namespace detail
} // namespace Reaktoro