| 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-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 The IAPWS formulation of Henry coefficients in water. | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_HENRY_IAPWS_HH | ||
| 13 | #define DUMUX_HENRY_IAPWS_HH | ||
| 14 | |||
| 15 | #include <dumux/material/components/h2o.hh> | ||
| 16 | |||
| 17 | namespace Dumux { | ||
| 18 | /*! | ||
| 19 | * \ingroup Binarycoefficients | ||
| 20 | * \brief The Henry constants in liquid water using the IAPWS 2004 | ||
| 21 | * formulation. | ||
| 22 | * \param E Correlation parameter | ||
| 23 | * \param F Correlation parameter | ||
| 24 | * \param G Correlation parameter | ||
| 25 | * \param H Correlation parameter | ||
| 26 | * \param temperature the temperature \f$\mathrm{[K]}\f$ | ||
| 27 | * | ||
| 28 | * This function calculates \f$\mathrm{K_D}\f$, see: | ||
| 29 | * | ||
| 30 | * IAPWS: "Guideline on the Henry's Constant and Vapor-Liquid | ||
| 31 | * Distribution Constant for Gases in H2O and D2O at High | ||
| 32 | * Temperatures" | ||
| 33 | * Equation (5) \cite watanabe2004 <BR> | ||
| 34 | * | ||
| 35 | * Range of validity: T = {278.12 ; 636.46} | ||
| 36 | * approximations beyond this range are increasingly incorrect. | ||
| 37 | * However, close to the critical the values are more, again. | ||
| 38 | */ | ||
| 39 | template <class Scalar> | ||
| 40 | 20648437 | inline Scalar henryIAPWS(Scalar E, | |
| 41 | Scalar F, | ||
| 42 | Scalar G, | ||
| 43 | Scalar H, | ||
| 44 | Scalar temperature) | ||
| 45 | { | ||
| 46 | using H2O = Dumux::Components::H2O<Scalar>; | ||
| 47 | |||
| 48 | // regularizing temperature helps for stability. | ||
| 49 | // Results are unphysical! | ||
| 50 |
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20648437 | if (temperature > H2O::criticalTemperature()) |
| 51 | ✗ | temperature = H2O::criticalTemperature(); | |
| 52 | |||
| 53 | 20648437 | Scalar Tr = temperature/H2O::criticalTemperature(); | |
| 54 | 20648437 | Scalar tau = 1 - Tr; | |
| 55 | |||
| 56 | static const Scalar c[6] = { | ||
| 57 | 1.99274064, 1.09965342, -0.510839303, | ||
| 58 | -1.75493479,-45.5170352, -6.7469445e5 | ||
| 59 | }; | ||
| 60 | static const Scalar d[6] = { | ||
| 61 | 1/3.0, 2/3.0, 5/3.0, | ||
| 62 | 16/3.0, 43/3.0, 110/3.0 | ||
| 63 | }; | ||
| 64 | static const Scalar q = -0.023767; | ||
| 65 | |||
| 66 | 20648437 | Scalar f = 0; | |
| 67 | using std::pow; | ||
| 68 |
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144539059 | for (int i = 0; i < 6; ++i) { |
| 69 | 123890622 | f += c[i]*pow(tau, d[i]); | |
| 70 | } | ||
| 71 | |||
| 72 | 20648437 | Scalar exponent = | |
| 73 | 41296874 | q*F + | |
| 74 | 20648437 | E/temperature*f + | |
| 75 | 20648437 | (F + | |
| 76 | 41296874 | G*pow(tau, 2.0/3) + | |
| 77 | 41296874 | H*tau)* | |
| 78 | 20648437 | exp((H2O::tripleTemperature() - temperature)/100); | |
| 79 | |||
| 80 | using std::exp; | ||
| 81 | 20648437 | return exp(exponent)*H2O::vaporPressure(temperature); | |
| 82 | } | ||
| 83 | } | ||
| 84 | |||
| 85 | #endif | ||
| 86 |