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opm-simulators/opm/material/binarycoefficients/h2o_co2.hh

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// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
/*****************************************************************************
* Copyright (C) 2012 by Andreas Lauser *
* *
* This program is free software: you can redistribute it and/or modify *
* it under the terms of the GNU General Public License as published by *
* the Free Software Foundation, either version 2 of the License, or *
* (at your option) any later version. *
* *
* This program 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 General Public License for more details. *
* *
* You should have received a copy of the GNU General Public License *
* along with this program. If not, see <http://www.gnu.org/licenses/>. *
*****************************************************************************/
/*!
* \file
*
* \copydoc Opm::BinaryCoeff::H2O_CO2
*/
#ifndef OPM_BINARY_COEFF_H2O_CO2_HH
#define OPM_BINARY_COEFF_H2O_CO2_HH
#include <opm/material/binarycoefficients/henryiapws.hh>
#include <opm/material/binarycoefficients/fullermethod.hh>
#include <opm/material/components/h2o.hh>
#include <opm/material/components/simpleco2.hh>
namespace Opm {
namespace BinaryCoeff {
/*!
* \ingroup Binarycoefficients
* \brief Binary coefficients for water and CO2.
*/
class H2O_CO2
{
public:
/*!
* \brief Henry coefficent \f$[N/m^2]\f$ for molecular CO2 in liquid water.
*
* See:
*
* IAPWS: "Guideline on the Henry's Constant and Vapor-Liquid
* Distribution Constant for Gases in H2O and D2O at High
* Temperatures"
* http://www.iapws.org/relguide/HenGuide.pdf
*/
template <class Scalar>
static Scalar henry(Scalar temperature)
{
const Scalar E = 1672.9376;
const Scalar F = 28.1751;
const Scalar G = -112.4619;
const Scalar H = 85.3807;
return henryIAPWS(E, F, G, H, temperature);
}
/*!
* \brief Binary diffusion coefficent [m^2/s] for molecular water and CO2.
*
* To calculate the values, the \ref fullerMethod is used.
*/
template <class Scalar>
static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
{
typedef Opm::H2O<Scalar> H2O;
typedef Opm::SimpleCO2<Scalar> CO2;
// atomic diffusion volumes
const Scalar SigmaNu[2] = { 13.1 /* H2O */, 26.9 /* CO2 */ };
// molar masses [g/mol]
const Scalar M[2] = { H2O::molarMass()*1e3, CO2::molarMass()*1e3 };
return fullerMethod(M, SigmaNu, temperature, pressure);
}
/*!
* \brief Diffusion coefficent [m^2/s] for molecular CO2 in liquid water.
*
* \todo
*/
template <class Scalar>
static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
{
DUNE_THROW(Dune::NotImplemented,
"Binary liquid diffusion coefficients of CO2 and CH4");
}
};
}
} // end namepace
#endif