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|---|---|---|---|
| 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-FileCopyrightInfo: 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 oxygen. | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_BINARY_COEFF_H2O_O2_HH | ||
| 13 | #define DUMUX_BINARY_COEFF_H2O_O2_HH | ||
| 14 | |||
| 15 | #include <dumux/material/binarycoefficients/henryiapws.hh> | ||
| 16 | #include <dumux/material/binarycoefficients/fullermethod.hh> | ||
| 17 | |||
| 18 | #include <dumux/material/components/o2.hh> | ||
| 19 | #include <dumux/material/components/h2o.hh> | ||
| 20 | |||
| 21 | namespace Dumux { | ||
| 22 | namespace BinaryCoeff { | ||
| 23 | |||
| 24 | /*! | ||
| 25 | * \ingroup Binarycoefficients | ||
| 26 | * \brief Binary coefficients for water and oxygen. | ||
| 27 | */ | ||
| 28 | class H2O_O2 | ||
| 29 | { | ||
| 30 | public: | ||
| 31 | /*! | ||
| 32 | * \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for molecular oxygen in liquid water. | ||
| 33 | * \param temperature the temperature \f$\mathrm{[K]}\f$ | ||
| 34 | */ | ||
| 35 | template <class Scalar> | ||
| 36 | static Scalar henry(Scalar temperature) | ||
| 37 | { | ||
| 38 | 2897487 | const Scalar E = 2305.0674; | |
| 39 | 2897487 | const Scalar F = -11.3240; | |
| 40 | 2897487 | const Scalar G = 25.3224; | |
| 41 | 2897487 | const Scalar H = -15.6449; | |
| 42 | |||
| 43 | 2897487 | return henryIAPWS(E, F, G, H, temperature); | |
| 44 | } | ||
| 45 | |||
| 46 | /*! | ||
| 47 | * \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water and oxygen. | ||
| 48 | * | ||
| 49 | * Uses fullerMethod to determine the diffusion of water in nitrogen. | ||
| 50 | * \param temperature the temperature \f$\mathrm{[K]}\f$ | ||
| 51 | * \param pressure the phase pressure \f$\mathrm{[Pa]}\f$ | ||
| 52 | */ | ||
| 53 | template <class Scalar> | ||
| 54 | static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure) | ||
| 55 | { | ||
| 56 | using H2O = Dumux::Components::H2O<Scalar>; | ||
| 57 | using O2 = Components::O2<Scalar>; | ||
| 58 | |||
| 59 | // atomic diffusion volumes | ||
| 60 | 2595779 | const Scalar SigmaNu[2] = { 13.1 /* H2O */, 16.3 /* O2 */ }; | |
| 61 | // molar masses [g/mol] | ||
| 62 | 2595779 | const Scalar M[2] = { H2O::molarMass()*1e3, O2::molarMass()*1e3 }; | |
| 63 | |||
| 64 | 2595779 | return fullerMethod(M, SigmaNu, temperature, pressure); | |
| 65 | } | ||
| 66 | |||
| 67 | /*! | ||
| 68 | * \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular oxygen in liquid water. | ||
| 69 | * \param temperature the temperature \f$\mathrm{[K]}\f$ | ||
| 70 | * \param pressure the phase pressure \f$\mathrm{[Pa]}\f$ | ||
| 71 | * | ||
| 72 | * The empirical equations for estimating the diffusion coefficient in | ||
| 73 | * infinite solution which are presented in Reid, 1987 all show a | ||
| 74 | * linear dependency on temperature. We thus simply scale the | ||
| 75 | * experimentally obtained diffusion coefficient of Ferrell and | ||
| 76 | * Himmelblau by the temperature. | ||
| 77 | * | ||
| 78 | * See: | ||
| 79 | * | ||
| 80 | * R. Reid et al. (1987, pp. 599) \cite reid1987 <BR> | ||
| 81 | * | ||
| 82 | * R. Ferrell, D. Himmelblau (1967, pp. 111-115) \cite ferrell1967 | ||
| 83 | */ | ||
| 84 | template <class Scalar> | ||
| 85 | ✗ | static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure) | |
| 86 | { | ||
| 87 | 2897490 | const Scalar Texp = 273.15 + 25; // [K] | |
| 88 |
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2897490 | const Scalar Dexp = 2.2e-9; // [m^2/s] |
| 89 | 2897489 | return Dexp * temperature/Texp; | |
| 90 | } | ||
| 91 | }; | ||
| 92 | |||
| 93 | } // end namespace BinaryCoeff | ||
| 94 | } // end namespace Dumux | ||
| 95 | |||
| 96 | #endif | ||
| 97 |