116 lines
4.0 KiB
C++
116 lines
4.0 KiB
C++
/*
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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_Xylene
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*/
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#ifndef OPM_BINARY_COEFF_H2O_XYLENE_HPP
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#define OPM_BINARY_COEFF_H2O_XYLENE_HPP
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#include <opm/material/components/H2O.hpp>
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#include <opm/material/components/Xylene.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 xylene.
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*/
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class H2O_Xylene
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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 xylene 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 Scalar>
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static Scalar henry(Scalar temperature)
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{
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// after Sanders
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Scalar sanderH = 1.5e-1; //[M/atm]
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//conversion to our Henry definition
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Scalar 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 xylene.
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*
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*/
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template <class Scalar>
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static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
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{
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typedef Opm::H2O<Scalar> H2O;
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typedef Opm::Xylene<Scalar> Xylene;
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temperature = std::max(temperature, 1e-9); // regularization
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temperature = std::min(temperature, 500.0); // regularization
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pressure = std::max(pressure, 0.0); // regularization
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pressure = std::min(pressure, 1e8); // regularization
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const Scalar M_x = 1e3*Xylene::molarMass(); // [g/mol] molecular weight of xylene
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const Scalar M_w = 1e3*H2O::molarMass(); // [g/mol] molecular weight of water
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const Scalar Tb_x = 412.9; // [K] boiling temperature of xylene
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const Scalar Tb_w = 373.15; // [K] boiling temperature of water (at p_atm)
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const Scalar V_B_w = 18.0; // [cm^3/mol] LeBas molal volume of water
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const Scalar sigma_w = 1.18*std::pow(V_B_w, 0.333); // charact. length of air
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const Scalar T_scal_w = 1.15*Tb_w; // [K] (molec. energy of attraction/Boltzmann constant)
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const Scalar V_B_x = 140.4; // [cm^3/mol] LeBas molal volume of xylene
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const Scalar sigma_x = 1.18*std::pow(V_B_x, 0.333); // charact. length of xylene
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const Scalar sigma_wx = 0.5*(sigma_w + sigma_x);
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const Scalar T_scal_x = 1.15*Tb_x;
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const Scalar T_scal_wx = std::sqrt(T_scal_w*T_scal_x);
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Scalar T_star = temperature/T_scal_wx;
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T_star = std::max(T_star, 1e-5); // regularization
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const Scalar Omega = 1.06036/std::pow(T_star, 0.1561) + 0.193/std::exp(T_star*0.47635)
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+ 1.03587/std::exp(T_star*1.52996) + 1.76474/std::exp(T_star*3.89411);
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const Scalar B_ = 0.00217 - 0.0005*std::sqrt(1.0/M_w + 1.0/M_x);
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const Scalar Mr = (M_w + M_x)/(M_w*M_x);
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const Scalar D_wx = (B_*std::pow(temperature,1.6)*std::sqrt(Mr))
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/(1e-5*pressure*std::pow(sigma_wx, 2.0)*Omega); // [cm^2/s]
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return D_wx*1e-4; // [m^2/s]
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}
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/*!
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* \brief Diffusion coefficent [m^2/s] for xylene in liquid water.
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*
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* \todo
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*/
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template <class Scalar>
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static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
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{
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return 1.e-9; // This is just an order of magnitude. Please improve it!
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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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