99a61df00a
conceptually, this may not be the purest conceivable solution, but it is the most practical one.
117 lines
4.3 KiB
C++
117 lines
4.3 KiB
C++
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
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// vi: set et ts=4 sw=4 sts=4:
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/*
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Copyright (C) 2009-2013 by Andreas Lauser
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This file is part of the Open Porous Media project (OPM).
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OPM is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 2 of the License, or
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(at your option) any later version.
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OPM is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with OPM. If not, see <http://www.gnu.org/licenses/>.
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*/
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/*!
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* \file
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* \copydoc Opm::BinaryCoeff::H2O_Mesitylene
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*/
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#ifndef OPM_BINARY_COEFF_H2O_MESITYLENE_HPP
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#define OPM_BINARY_COEFF_H2O_MESITYLENE_HPP
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#include <opm/material/components/H2O.hpp>
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#include <opm/material/components/Mesitylene.hpp>
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namespace Opm
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{
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namespace BinaryCoeff
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{
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/*!
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* \brief Binary coefficients for water and mesitylene.
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*/
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class H2O_Mesitylene
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{
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public:
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/*!
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* \brief Henry coefficent \f$[N/m^2]\f$ for mesitylene in liquid water.
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*
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* See:
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*
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* Sanders1999 Henry collection
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*/
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template <class Evaluation>
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static Evaluation henry(const Evaluation& temperature)
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{
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// after Sanders
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double sanderH = 1.7e-1; // [M/atm]
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//conversion to our Henry definition
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double opmH = sanderH / 101.325; // has now [(mol/m^3)/Pa]
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opmH *= 18.02e-6; // multiplied by molar volume of reference phase = water
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return 1.0/opmH; // [Pa]
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}
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/*!
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* \brief Binary diffusion coefficent [m^2/s] for molecular water and mesitylene.
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*
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*/
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template <class Evaluation>
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static Evaluation gasDiffCoeff(Evaluation temperature, Evaluation pressure)
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{
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typedef Opm::MathToolbox<Evaluation> Toolbox;
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typedef Opm::H2O<double> H2O;
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typedef Opm::Mesitylene<double> Mesitylene;
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temperature = Toolbox::max(temperature, 1e-9); // regularization
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temperature = Toolbox::min(temperature, 500.0); // regularization
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pressure = Toolbox::max(pressure, 0.0); // regularization
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pressure = Toolbox::min(pressure, 1e8); // regularization
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const double M_m = 1e3*Mesitylene::molarMass(); // [g/mol] molecular weight of mesitylene
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const double M_w = 1e3*H2O::molarMass(); // [g/mol] molecular weight of water
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const double Tb_m = 437.9; // [K] boiling temperature of mesitylen
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const double Tb_w = 373.15; // [K] boiling temperature of water (at p_atm)
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const double V_B_w = 18.0; // [cm^3/mol] LeBas molal volume of water
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const double sigma_w = 1.18*std::pow(V_B_w, 0.333); // charact. length of air
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const double T_scal_w = 1.15*Tb_w; // [K] (molec. energy of attraction/Boltzmann constant)
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const double V_B_m = 162.6; // [cm^3/mol] LeBas molal volume of mesitylen
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const double sigma_m = 1.18*std::pow(V_B_m, 0.333); // charact. length of mesitylen
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const double sigma_wm = 0.5*(sigma_w + sigma_m);
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const double T_scal_m = 1.15*Tb_m;
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const double T_scal_wm = std::sqrt(T_scal_w*T_scal_m);
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const Evaluation T_star = Toolbox::max(temperature/T_scal_wm, 1e-5);
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const Evaluation& Omega = 1.06036/Toolbox::pow(T_star,0.1561) + 0.193/Toolbox::exp(T_star*0.47635)
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+ 1.03587/Toolbox::exp(T_star*1.52996) + 1.76474/Toolbox::exp(T_star*3.89411);
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const double B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_w + 1.0/M_m);
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const double Mr = (M_w + M_m)/(M_w*M_m);
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const Evaluation D_wm = (B_*Toolbox::pow(temperature,1.6)*std::sqrt(Mr))
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/(1e-5*pressure*std::pow(sigma_wm, 2.0)*Omega); // [cm^2/s]
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return D_wm*1e-4; // [m^2/s]
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}
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/*!
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* \brief Diffusion coefficent [m^2/s] for mesitylene in liquid water.
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*/
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template <class Evaluation>
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static Evaluation liquidDiffCoeff(const Evaluation& temperature, const Evaluation& pressure)
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{
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// This is just an order of magnitude estimate. Please improve!
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return 1e-9;
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}
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};
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} // namespace BinaryCoeff
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} // namespace Opm
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#endif
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