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H2O_Mesitylene.hpp
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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:
/*
This file is part of the Open Porous Media project (OPM).
OPM 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.
OPM 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 OPM. If not, see <http://www.gnu.org/licenses/>.
Consult the COPYING file in the top-level source directory of this
module for the precise wording of the license and the list of
copyright holders.
*/
#ifndef OPM_BINARY_COEFF_H2O_MESITYLENE_HPP
#define OPM_BINARY_COEFF_H2O_MESITYLENE_HPP
#include <opm/material/components/H2O.hpp>
#include <opm/material/components/Mesitylene.hpp>
namespace Opm
{
namespace BinaryCoeff
{
class H2O_Mesitylene
{
public:
template <class Evaluation>
static Evaluation henry(const Evaluation& /*temperature*/)
{
// after Sanders
double sanderH = 1.7e-1; // [M/atm]
//conversion to our Henry definition
double opmH = sanderH / 101.325; // has now [(mol/m^3)/Pa]
opmH *= 18.02e-6; // multiplied by molar volume of reference phase = water
return 1.0/opmH; // [Pa]
}
template <class Evaluation>
static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
{
typedef H2O<double> H2O;
typedef Mesitylene<double> Mesitylene;
temperature = max(temperature, 1e-9); // regularization
temperature = min(temperature, 500.0); // regularization
pressure = max(pressure, 0.0); // regularization
pressure = min(pressure, 1e8); // regularization
const double M_m = 1e3*Mesitylene::molarMass(); // [g/mol] molecular weight of mesitylene
const double M_w = 1e3*H2O::molarMass(); // [g/mol] molecular weight of water
const double Tb_m = 437.9; // [K] boiling temperature of mesitylen
const double Tb_w = 373.15; // [K] boiling temperature of water (at p_atm)
const double V_B_w = 18.0; // [cm^3/mol] LeBas molal volume of water
const double sigma_w = 1.18*std::pow(V_B_w, 0.333); // charact. length of air
const double T_scal_w = 1.15*Tb_w; // [K] (molec. energy of attraction/Boltzmann constant)
const double V_B_m = 162.6; // [cm^3/mol] LeBas molal volume of mesitylen
const double sigma_m = 1.18*std::pow(V_B_m, 0.333); // charact. length of mesitylen
const double sigma_wm = 0.5*(sigma_w + sigma_m);
const double T_scal_m = 1.15*Tb_m;
const double T_scal_wm = std::sqrt(T_scal_w*T_scal_m);
const Evaluation T_star = max(temperature/T_scal_wm, 1e-5);
const Evaluation& Omega = 1.06036/pow(T_star,0.1561) + 0.193/exp(T_star*0.47635)
+ 1.03587/exp(T_star*1.52996) + 1.76474/exp(T_star*3.89411);
const double B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_w + 1.0/M_m);
const double Mr = (M_w + M_m)/(M_w*M_m);
const Evaluation D_wm = (B_*pow(temperature,1.6)*std::sqrt(Mr))
/(1e-5*pressure*std::pow(sigma_wm, 2.0)*Omega); // [cm^2/s]
return D_wm*1e-4; // [m^2/s]
}
template <class Evaluation>
static Evaluation liquidDiffCoeff(const Evaluation& /*temperature*/, const Evaluation& /*pressure*/)
{
// This is just an order of magnitude estimate. Please improve!
return 1e-9;
}
};
} // namespace BinaryCoeff
} // namespace Opm
#endif
H2O.hpp
Material properties of pure water .
Mesitylene.hpp
Component for Mesitylene.
Opm::BinaryCoeff::H2O_Mesitylene
Binary coefficients for water and mesitylene.
Definition H2O_Mesitylene.hpp:42
Opm::BinaryCoeff::H2O_Mesitylene::henry
static Evaluation henry(const Evaluation &)
Henry coefficent for mesitylene in liquid water.
Definition H2O_Mesitylene.hpp:52
Opm::BinaryCoeff::H2O_Mesitylene::gasDiffCoeff
static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
Binary diffusion coefficent [m^2/s] for molecular water and mesitylene.
Definition H2O_Mesitylene.hpp:67
Opm::BinaryCoeff::H2O_Mesitylene::liquidDiffCoeff
static Evaluation liquidDiffCoeff(const Evaluation &, const Evaluation &)
Diffusion coefficent [m^2/s] for mesitylene in liquid water.
Definition H2O_Mesitylene.hpp:106
Opm::H2O
Material properties of pure water .
Definition H2O.hpp:65
Opm::H2O::molarMass
static const Scalar molarMass()
The molar mass in of water.
Definition H2O.hpp:85
Opm::Mesitylene
Component for Mesitylene.
Definition Mesitylene.hpp:47
Opm::Mesitylene::molarMass
static Scalar molarMass()
The molar mass in of mesitylene.
Definition Mesitylene.hpp:60
Opm
This class implements a small container which holds the transmissibility mulitpliers for all the face...
Definition Exceptions.hpp:30