| Line | Branch | Exec | Source |
|---|---|---|---|
| 1 | // -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- | ||
| 2 | // vi: set et ts=4 sw=4 sts=4: | ||
| 3 | // | ||
| 4 | // SPDX-FileCopyrightText: Copyright © DuMux Project contributors, see AUTHORS.md in root folder | ||
| 5 | // SPDX-License-Identifier: GPL-3.0-or-later | ||
| 6 | // | ||
| 7 | /*! | ||
| 8 | * \file | ||
| 9 | * \ingroup Binarycoefficients | ||
| 10 | * \brief Binary coefficients for water and methane. | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_BINARY_COEFF_H2O_CH4_HH | ||
| 13 | #define DUMUX_BINARY_COEFF_H2O_CH4_HH | ||
| 14 | |||
| 15 | #include <dumux/material/binarycoefficients/henryiapws.hh> | ||
| 16 | #include <dumux/material/binarycoefficients/fullermethod.hh> | ||
| 17 | |||
| 18 | #include <dumux/material/components/ch4.hh> | ||
| 19 | #include <dumux/material/components/h2o.hh> | ||
| 20 | |||
| 21 | namespace Dumux::BinaryCoeff { | ||
| 22 | |||
| 23 | /*! | ||
| 24 | * \ingroup Binarycoefficients | ||
| 25 | * \brief Binary coefficients for water and methane. | ||
| 26 | */ | ||
| 27 | class H2O_CH4 | ||
| 28 | { | ||
| 29 | public: | ||
| 30 | /*! | ||
| 31 | * \brief Henry coefficient \f$[N/m^2]\f$ for molecular methane in liquid water. | ||
| 32 | * | ||
| 33 | * See: | ||
| 34 | * | ||
| 35 | * IAPWS: "Guideline on the Henry's Constant and Vapor-Liquid | ||
| 36 | * Distribution Constant for Gases in H2O and D2O at High | ||
| 37 | * Temperatures" | ||
| 38 | * http://www.iapws.org/relguide/HenGuide.pdf | ||
| 39 | */ | ||
| 40 | template <class Scalar> | ||
| 41 | static Scalar henry(Scalar temperature) | ||
| 42 | { | ||
| 43 | const Scalar E = 2215.6977; | ||
| 44 | const Scalar F = -0.1089; | ||
| 45 | const Scalar G = -6.6240; | ||
| 46 | const Scalar H = 4.6789; | ||
| 47 | |||
| 48 | return henryIAPWS(E, F, G, H, temperature); | ||
| 49 | } | ||
| 50 | |||
| 51 | /*! | ||
| 52 | * \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water in methane. | ||
| 53 | * | ||
| 54 | * \param temperature the temperature \f$\mathrm{[K]}\f$ | ||
| 55 | * \param pressure the phase pressure \f$\mathrm{[Pa]}\f$ | ||
| 56 | */ | ||
| 57 | template <class Scalar> | ||
| 58 | 1 | static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure) | |
| 59 | { | ||
| 60 | // DUNE_THROW(Dune::NotImplemented, "diffusion coefficient for gasous water and methane"); | ||
| 61 | |||
| 62 | typedef Dumux::Components::H2O<Scalar> H2O; | ||
| 63 | typedef Dumux::Components::CH4<Scalar> CH4; | ||
| 64 | |||
| 65 | // atomic diffusion volumes | ||
| 66 | // Vch4 = sum(ni*Vi) = 15.9 + 4*2.31 = 25.14 (Tang et al., 2015)--> method, (Poling et al., 2001, p.11.11)--> values | ||
| 67 | 1 | const Scalar SigmaNu[2] = { 13.1 /* H2O */, 25.14 /* CH4 */ }; | |
| 68 | // molar masses [g/mol] | ||
| 69 | 1 | const Scalar M[2] = { H2O::molarMass()*Scalar(1e3), CH4::molarMass()*Scalar(1e3) }; | |
| 70 | |||
| 71 | 1 | return fullerMethod(M, SigmaNu, temperature, pressure); | |
| 72 | } | ||
| 73 | |||
| 74 | /*! | ||
| 75 | * \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular methane in liquid water. | ||
| 76 | * \param temperature the temperature \f$\mathrm{[K]}\f$ | ||
| 77 | * \param pressure the phase pressure \f$\mathrm{[Pa]}\f$ | ||
| 78 | * | ||
| 79 | * The empirical equations for estimating the diffusion coefficient in | ||
| 80 | * infinite solution which are presented in Reid, 1987 \cite reid1987 all show a | ||
| 81 | * linear dependency on temperature. We thus simply scale the | ||
| 82 | * experimentally obtained diffusion coefficient of Ferrell and | ||
| 83 | * Himmelblau by the temperature.<br> | ||
| 84 | * This function use an interpolation of the data by \cite witherspoon1965 | ||
| 85 | * http://dx.doi.org/10.1021/j100895a017 | ||
| 86 | */ | ||
| 87 | template <class Scalar> | ||
| 88 | static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure) | ||
| 89 | { | ||
| 90 | return 2.93856e-11 * temperature - 6.89402e-09; | ||
| 91 | } | ||
| 92 | }; | ||
| 93 | |||
| 94 | } // end namespace Dumux::BinaryCoeff | ||
| 95 | |||
| 96 | #endif | ||
| 97 |