99a61df00a
conceptually, this may not be the purest conceivable solution, but it is the most practical one.
104 lines
4.0 KiB
C++
104 lines
4.0 KiB
C++
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
|
|
// vi: set et ts=4 sw=4 sts=4:
|
|
/*
|
|
Copyright (C) 2009-2013 by Andreas Lauser
|
|
|
|
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/>.
|
|
*/
|
|
/*!
|
|
* \file
|
|
* \copydoc Opm::BinaryCoeff::Air_Mesitylene
|
|
*/
|
|
#ifndef OPM_BINARY_COEFF_AIR_MESITYLENE_HPP
|
|
#define OPM_BINARY_COEFF_AIR_MESITYLENE_HPP
|
|
|
|
#include <opm/material/components/Air.hpp>
|
|
#include <opm/material/components/Mesitylene.hpp>
|
|
|
|
namespace Opm
|
|
{
|
|
namespace BinaryCoeff
|
|
{
|
|
|
|
/*!
|
|
* \brief Binary coefficients for water and mesitylene.
|
|
*/
|
|
class Air_Mesitylene
|
|
{
|
|
public:
|
|
/*!
|
|
*
|
|
*/
|
|
template <class Evaluation>
|
|
static Evaluation henry(const Evaluation& temperature)
|
|
{ OPM_THROW(std::runtime_error, "Not implemented: Henry coefficient of air in mesitylene"); }
|
|
|
|
/*!
|
|
* \brief Binary diffusion coefficent [m^2/s] for air and mesitylene.
|
|
* I used the method according to Wilke and Lee
|
|
* see Handbook of chem. property's Estimation Methods
|
|
* W.J. Lyman, W.F. Reehl, D.H. Rosenblatt
|
|
*
|
|
*/
|
|
template <class Evaluation>
|
|
static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
|
|
{
|
|
typedef Opm::MathToolbox<Evaluation> Toolbox;
|
|
typedef Opm::Air<double> Air;
|
|
typedef Opm::Mesitylene<double> Mesitylene;
|
|
|
|
temperature = Toolbox::max(temperature, 1e-9); // regularization
|
|
temperature = Toolbox::min(temperature, 500.0); // regularization
|
|
pressure = Toolbox::max(pressure, 0.0); // regularization
|
|
pressure = Toolbox::min(pressure, 1e8); // regularization
|
|
|
|
const double M_m = 1e3*Mesitylene::molarMass(); // [g/mol] molecular weight of mesitylene
|
|
const double M_a = 1e3*Air::molarMass(); // [g/mol] molecular weight of air
|
|
const double Tb_m = 437.9; // [K] boiling temperature of mesitylene
|
|
const double sigma_a = 3.711; // charact. length of air
|
|
const double T_scal_a = 78.6; // [K] (molec. energy of attraction/Boltzmann constant)
|
|
const double V_B_m = 162.6; // [cm^3/mol] LeBas molal volume of mesitylene
|
|
const double sigma_m = 1.18*std::pow(V_B_m, 0.333); // charact. length of mesitylene
|
|
const double sigma_am = 0.5*(sigma_a + sigma_m);
|
|
const double T_scal_m = 1.15*Tb_m;
|
|
const double T_scal_am = std::sqrt(T_scal_a*T_scal_m);
|
|
|
|
Evaluation T_star = temperature/T_scal_am;
|
|
T_star = Toolbox::max(T_star, 1e-5); // regularization
|
|
|
|
const Evaluation Omega = 1.06036/Toolbox::pow(T_star, 0.1561) + 0.193/Toolbox::exp(T_star*0.47635)
|
|
+ 1.03587/Toolbox::exp(T_star*1.52996) + 1.76474/Toolbox::exp(T_star*3.89411);
|
|
const double B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_a + 1.0/M_m);
|
|
const double Mr = (M_a + M_m)/(M_a*M_m);
|
|
const Evaluation D_am = (B_*Toolbox::pow(temperature, 1.5) * std::sqrt(Mr))
|
|
/(1e-5*pressure*std::pow(sigma_am, 2.0) * Omega); // [cm^2/s]
|
|
|
|
return 1e-4*D_am; // [m^2/s]
|
|
}
|
|
|
|
/*!
|
|
* \brief Diffusion coefficent [m^2/s] for molecular mesitylene in liquid water.
|
|
*/
|
|
template <class Evaluation>
|
|
static Evaluation liquidDiffCoeff(const Evaluation& temperature, const Evaluation& pressure)
|
|
{ OPM_THROW(std::runtime_error, "Not implemented: Binary liquid diffusion coefficients of air and mesitylene"); }
|
|
};
|
|
|
|
} // namespace BinaryCoeff
|
|
} // namespace Opm
|
|
|
|
#endif
|