diff --git a/dumux/material/binarycoefficients/CMakeLists.txt b/dumux/material/binarycoefficients/CMakeLists.txt
index b0dfe4b88f43b0feaaad2e233282e04bb77f9700..d18463edee2790acd1ed6e63666ce71143a28584 100644
--- a/dumux/material/binarycoefficients/CMakeLists.txt
+++ b/dumux/material/binarycoefficients/CMakeLists.txt
@@ -1,7 +1,6 @@
install(FILES
air_mesitylene.hh
air_xylene.hh
-brine_air.hh
brine_co2.hh
fullermethod.hh
h2o_air.hh
diff --git a/dumux/material/binarycoefficients/brine_air.hh b/dumux/material/binarycoefficients/brine_air.hh
deleted file mode 100644
index 6e8632db1b539ab010bb7c984ab7c99f2a3221f7..0000000000000000000000000000000000000000
--- a/dumux/material/binarycoefficients/brine_air.hh
+++ /dev/null
@@ -1,636 +0,0 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \ingroup Binarycoefficients
- * \brief Binary coefficients for Brine and Air.
- */
-#ifndef DUMUX_BINARY_COEFF_BRINE_Air_HH
-#define DUMUX_BINARY_COEFF_BRINE_Air_HH
-
-#include <dumux/material/components/brine.hh>
-#include <dumux/material/components/h2o.hh>
-#include <dumux/material/components/air.hh>
-#include <dumux/material/idealgas.hh>
-
-namespace Dumux {
-namespace BinaryCoeff {
-/*!
- * \ingroup Binarycoefficients
- * \brief Binary coefficients for Brine and Air.
- */
-template<class Scalar, class Air, bool verbose = true>
-class Brine_Air {
- using H2O = Dumux::Components::H2O<Scalar>;
- // using Air = Dumux::Components::Air<Scalar>;
- using Brine = Dumux::Components::Brine<Scalar,H2O>;
- using IdealGas = Dumux::IdealGas<Scalar>;
- static const int wPhaseIdx = 0; // index of the liquid phase
- static const int nPhaseIdx = 1; // index of the gas phase
-
-public:
- /*!
- * \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ of water in the Air phase.
- *
- * According to B. Xu et al. (2003) \cite xu2003 <BR>
- * \param temperature the temperature \f$\mathrm{[K]}\f$
- * \param pressure the phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure) {
- //Diffusion coefficient of water in the Air phase
- const Scalar Theta=1.8;
- const Scalar Daw=2.13e-5; /* reference value */
- const Scalar pg0=1.e5; /* reference pressure */
- const Scalar T0=273.15; /* reference temperature */
- Scalar Dgaw;
- Dgaw=Daw*(pg0/pressure)*pow((temperature/T0),Theta);
- return Dgaw;
- }
- ;
-
- /*!
- * Lacking better data on water-air diffusion in liquids, we use at the
- * moment the diffusion coefficient of the air's main component nitrogen!!
- * \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular nitrogen in liquid water.
- *
- * The empirical equations for estimating the diffusion coefficient in
- * infinite solution which are presented in Reid, 1987 all show a
- * linear dependency on temperature. We thus simply scale the
- * experimentally obtained diffusion coefficient of Ferrell and
- * Himmelblau by the temperature.
- * \param temperature The temperature \f$\mathrm{[K]}\f$
- * \param pressure The pressure \f$\mathrm{[Pa]}\f$
- *
- * See:
- *
- * R. Reid et al. (1987, pp. 599) \cite reid1987 <BR>
- *
- * R. Ferrell, D. Himmelblau (1967, pp. 111-115) \cite ferrell1967
- */
- static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure) {
- //Diffusion coefficient of Air in the H2O phase
- const Scalar Texp = 273.15 + 25; // [K]
- const Scalar Dexp = 2.01e-9; // [m^2/s]
- return Dexp * temperature/Texp;
- };
-
- /*!
- * \brief Returns the _mol_ (!) fraction of Air in the liquid
- * phase and the mol_ (!) fraction of H2O in the gas phase
- * for a given temperature, pressure, Air density and brine
- * XwNaCl.
- *
- * Implemented according to Spycher and Pruess (2005) \cite spycher2005 <BR>
- * applying the activity coefficient expression of Duan and Sun (2003) \cite duan2003 <BR>
- * and the correlations for pure water given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
- *
- * \param temperature the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- * \param XwNaCl the XwNaCl \f$\mathrm{[kg NaCl / kg solution]}\f$
- * \param knownPhaseIdx indicates which phases are present
- * \param xwAir mole fraction of Air in brine \f$\mathrm{[mol/mol]}\f$
- * \param xnH2O mole fraction of water in the gas phase \f$\mathrm{[mol/mol]}\f$
- * \param xwNaCl the xwNaCl
- */
- static void calculateMoleFractions(const Scalar temperature,
- const Scalar pg,
- const Scalar XwNaCl,
- const int knownPhaseIdx,
- Scalar &xwAir,
- Scalar &xnH2O,
- Scalar &xwNaCl) {
- DUNE_THROW(Dune::InvalidStateException, "Function: " << "calculateMoleFractions" << " is invalid.");
-// Scalar A = computeA_(temperature, pg);
-//
-// /* XwNaCl: conversion from mass fraction to mol fraction */
-// xwNaCl = massTomoleFrac_(XwNaCl);
-//
-// // if both phases are present the mole fractions in each phase can be calculate
-// // with the mutual solubility function
-// if (knownPhaseIdx < 0) {
-// Scalar molalityNaCl = molFracToMolality_(xwNaCl); // molality of NaCl //CHANGED
-// Scalar m0_Air = molalityAirinPureWater_(temperature, pg); // molality of Air in pure water
-// Scalar gammaStar = activityCoefficient_(temperature, pg, molalityNaCl);// activity coefficient of Air in brine
-// Scalar m_Air = m0_Air / gammaStar; // molality of Air in brine
-// xwAir = m_Air / (molalityNaCl + 55.508 + m_Air); // mole fraction of Air in brine
-// xnH2O = A * (1 - xwAir - xwNaCl); // mole fraction of water in the gas phase
-// }
-//
-// // if only liquid phase is present the mole fraction of Air in brine is given and
-// // and the virtual equilibrium mole fraction of water in the non-existing gas phase can be estimated
-// // with the mutual solubility function
-// if (knownPhaseIdx == wPhaseIdx) {
-//// xnH2O = A * (1 - xwAir - xwNaCl);
-// DUNE_THROW(Dune::InvalidStateException, "phase index: " << "wPhaseIdx" << " is invalid.");
-//
-// }
-//
-// // if only gas phase is present the mole fraction of water in the gas phase is given and
-// // and the virtual equilibrium mole fraction of Air in the non-existing liquid phase can be estimated
-// // with the mutual solubility function
-// if (knownPhaseIdx == nPhaseIdx) {
-// //y_H2o = fluidstate.
-//// xwAir = 1 - xwNaCl - xnH2O / A;
-// DUNE_THROW(Dune::InvalidStateException, "phase index: " << "nPhaseIdx" << " is invalid.");
-// }
- }
-
- /*!
- * \brief Returns the fugacity coefficient \f$\mathrm{[-]}\f$ of the Air component in a water-Air mixture
- * (given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 )
- *
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar fugacityCoefficientAir(Scalar T, Scalar pg) {
-
- Scalar V = 1 / (Air::gasDensity(T, pg) / Air::molarMass()) * 1.e6; // molar volume in cm^3/mol
- Scalar pg_bar = pg / 1.e5; // gas phase pressure in bar
- Scalar a_Air = (7.54e7 - 4.13e4 * T); // mixture parameter of Redlich-Kwong equation
- static const Scalar b_Air = 27.8; // mixture parameter of Redlich-Kwong equation
- static const Scalar R = IdealGas::R * 10.; // ideal gas constant with unit bar cm^3 /(K mol)
- Scalar lnPhiAir, phiAir;
-
- using std::log;
- using std::pow;
- using std::exp;
- lnPhiAir = log(V / (V - b_Air)) + b_Air / (V - b_Air) - 2 * a_Air / (R
- * pow(T, 1.5) * b_Air) * log((V + b_Air) / V) + a_Air * b_Air
- / (R * pow(T, 1.5) * b_Air * b_Air) * (log((V + b_Air) / V)
- - b_Air / (V + b_Air)) - log(pg_bar * V / (R * T));
-
- phiAir = exp(lnPhiAir); // fugacity coefficient of Air
- return phiAir;
-
- }
-
- /*!
- * \brief Returns the fugacity coefficient \f$\mathrm{[-]}\f$ of the H2O component in a water-Air mixture
- * (given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 )
- *
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar fugacityCoefficientH2O(Scalar T, Scalar pg) {
-
- Scalar V = 1 / (Air::gasDensity(T, pg) / Air::molarMass()) * 1.e6; // molar volume in cm^3/mol
- Scalar pg_bar = pg / 1.e5; // gas phase pressure in bar
- Scalar a_Air = (7.54e7 - 4.13e4 * T);// mixture parameter of Redlich-Kwong equation
- static const Scalar a_Air_H2O = 7.89e7;// mixture parameter of Redlich-Kwong equation
- static const Scalar b_Air = 27.8;// mixture parameter of Redlich-Kwong equation
- static const Scalar b_H2O = 18.18;// mixture parameter of Redlich-Kwong equation
- static const Scalar R = IdealGas::R * 10.; // ideal gas constant with unit bar cm^3 /(K mol)
- Scalar lnPhiH2O, phiH2O;
-
- using std::log;
- using std::pow;
- using std::exp;
- lnPhiH2O = log(V / (V - b_Air)) + b_H2O / (V - b_Air) - 2 * a_Air_H2O
- / (R * pow(T, 1.5) * b_Air) * log((V + b_Air) / V) + a_Air
- * b_H2O / (R * pow(T, 1.5) * b_Air * b_Air) * (log((V + b_Air)
- / V) - b_Air / (V + b_Air)) - log(pg_bar * V / (R * T));
- phiH2O = exp(lnPhiH2O); // fugacity coefficient of H2O
- return phiH2O;
- }
-
- /*!
- * \brief Returns the molality of NaCl \f$\mathrm{(mol NaCl / kg water)}\f$ for a given mole fraction \f$\mathrm{(mol NaCl / mol solution)}\f$
- *
- * \param XwNaCl mole fraction of NaCL in brine \f$\mathrm{[mol/mol]}\f$
- */
- static Scalar molalityNaCl(Scalar XwNaCl) {
-
- // conversion from mol fraction to molality
- const Scalar mol_NaCl = XwNaCl / 58.4428e-3;
-
- return mol_NaCl;
- }
-
-private:
- /*!
- * \brief Returns the molality of NaCl \f$\mathrm{(mol NaCl / kg water)}\f$ for a given mole fraction
- *
- * \param XwNaCl the XwNaCl \f$\mathrm{[kg NaCl / kg solution]}\f$
- */
- static Scalar massTomoleFrac_(Scalar XwNaCl) {
-
- DUNE_THROW(Dune::InvalidStateException, "Function: " << "massTomoleFrac_" << " is invalid.");
-
-// const Scalar Mw = H2O::molarMass(); /* molecular weight of water [kg/mol] */
-// const Scalar Ms = 58.8e-3; /* molecular weight of NaCl [kg/mol] */
-//
-// const Scalar X_NaCl = XwNaCl;
-// /* XwNaCl: conversion from mass fraction to mol fraction */
-// const Scalar xwNaCl = -Mw * X_NaCl / ((Ms - Mw) * X_NaCl - Ms);
-// return xwNaCl;
- }
-
- /*!
- * \brief Returns the equilibrium molality of Air \f$\mathrm{(mol Air / kg water)}\f$ for a
- * Air-water mixture at a given pressure and temperature
- *
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar molalityAirinPureWater_(Scalar temperature, Scalar pg) {
- Scalar A = computeA_(temperature, pg); // according to Spycher, Pruess and Ennis-King (2003)
- Scalar B = computeB_(temperature, pg); // according to Spycher, Pruess and Ennis-King (2003)
- Scalar yH2OinGas = (1 - B) / (1. / A - B); // equilibrium mol fraction of H2O in the gas phase
- Scalar xAirinWater = B * (1 - yH2OinGas); // equilibrium mol fraction of Air in the water phase
- Scalar molalityAir = (xAirinWater * 55.508) / (1 - xAirinWater); // Air molality
- return molalityAir;
- }
-
- /*!
- * \brief Returns the activity coefficient of Air in brine for a
- * molal description. According to Duan and Sun (2003) \cite duan2003 <BR>
- * given in Spycher and Pruess (2005) \cite spycher2005 <BR>
- *
- * \param temperature the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- * \param molalityNaCl molality of NaCl \f$\mathrm{(mol NaCl / kg water)}\f$
- */
- static Scalar activityCoefficient_(Scalar temperature, Scalar pg,
- Scalar molalityNaCl) {
- Scalar lambda = computeLambda_(temperature, pg); // lambda_{Air-Na+}
- Scalar xi = computeXi_(temperature, pg); // Xi_{Air-Na+-Cl-}
- Scalar lnGammaStar = 2 * lambda * molalityNaCl + xi * molalityNaCl
- * molalityNaCl;
- using std::exp;
- Scalar gammaStar = exp(lnGammaStar);
- return gammaStar; // molal activity coefficient of Air in brine
- }
-
- /*!
- * \brief Returns the paramater A for the calculation of
- * them mutual solubility in the water-Air system.
- * Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
- *
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar computeA_(Scalar T, Scalar pg) {
- Scalar deltaP = pg / 1e5 - 1; // pressure range [bar] from p0 = 1bar to pg[bar]
- const Scalar v_av_H2O = 18.1; // average partial molar volume of H2O [cm^3/mol]
- const Scalar R = IdealGas::R * 10;
- Scalar k0_H2O = equilibriumConstantH2O_(T); // equilibrium constant for H2O at 1 bar
- Scalar phi_H2O = fugacityCoefficientH2O(T, pg); // fugacity coefficient of H2O for the water-Air system
- Scalar pg_bar = pg / 1.e5;
- using std::exp;
- Scalar A = k0_H2O / (phi_H2O * pg_bar) * exp(deltaP * v_av_H2O / (R * T));
- return A;
-
- }
-
- /*!
- * \brief Returns the paramater B for the calculation of
- * the mutual solubility in the water-Air system.
- * Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
- *
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar computeB_(Scalar T, Scalar pg) {
- Scalar deltaP = pg / 1e5 - 1; // pressure range [bar] from p0 = 1bar to pg[bar]
- const Scalar v_av_Air = 32.6; // average partial molar volume of Air [cm^3/mol]
- const Scalar R = IdealGas::R * 10;
- Scalar k0_Air = equilibriumConstantAir_(T); // equilibrium constant for Air at 1 bar
- Scalar phi_Air = fugacityCoefficientAir(T, pg); // fugacity coefficient of Air for the water-Air system
- Scalar pg_bar = pg / 1.e5;
- using std::exp;
- Scalar B = phi_Air * pg_bar / (55.508 * k0_Air) * exp(-(deltaP
- * v_av_Air) / (R * T));
- return B;
- }
-
- /*!
- * \brief Returns the parameter lambda, which is needed for the
- * calculation of the Air activity coefficient in the brine-Air system.
- * Given in Spycher and Pruess (2005) \cite spycher2005 <BR>
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar computeLambda_(Scalar T, Scalar pg) {
- Scalar lambda;
- static const Scalar c[6] = { -0.411370585, 6.07632013E-4, 97.5347708,
- -0.0237622469, 0.0170656236, 1.41335834E-5 };
-
- using std::log;
- Scalar pg_bar = pg / 1.0E5; /* conversion from Pa to bar */
- lambda = c[0] + c[1] * T + c[2] / T + c[3] * pg_bar / T + c[4] * pg_bar
- / (630.0 - T) + c[5] * T * log(pg_bar);
-
- return lambda;
- }
-
- /*!
- * \brief Returns the parameter xi, which is needed for the
- * calculation of the Air activity coefficient in the brine-Air system.
- * Given in Spycher and Pruess (2005) \cite spycher2005 <BR>
- * \param T the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- */
- static Scalar computeXi_(Scalar T, Scalar pg) {
- Scalar xi;
- static const Scalar c[4] = { 3.36389723E-4, -1.98298980E-5,
- 2.12220830E-3, -5.24873303E-3 };
-
- Scalar pg_bar = pg / 1.0E5; /* conversion from Pa to bar */
- xi = c[0] + c[1] * T + c[2] * pg_bar / T + c[3] * pg_bar / (630.0 - T);
-
- return xi;
- }
-
- /*!
- * \brief Returns the equilibrium constant for Air, which is needed for the
- * calculation of the mutual solubility in the water-Air system
- * Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
- * \param T the temperature \f$\mathrm{[K]}\f$
- */
- static Scalar equilibriumConstantAir_(Scalar T) {
- Scalar TinC = T - 273.15; //temperature in °C
- static const Scalar c[3] = { 1.189, 1.304e-2, -5.446e-5 };
- Scalar logk0_Air = c[0] + c[1] * TinC + c[2] * TinC * TinC;
- Scalar k0_Air = pow(10, logk0_Air);
- return k0_Air;
- }
-
- /*!
- * \brief Returns the equilibrium constant for H2O, which is needed for the
- * calculation of the mutual solubility in the water-Air system
- * Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
- * \param T the temperature \f$\mathrm{[K]}\f$
- */
- static Scalar equilibriumConstantH2O_(Scalar T) {
- Scalar TinC = T - 273.15; //temperature in °C
- static const Scalar c[4] = { -2.209, 3.097e-2, -1.098e-4, 2.048e-7 };
- Scalar logk0_H2O = c[0] + c[1] * TinC + c[2] * TinC * TinC + c[3]
- * TinC * TinC * TinC;
- Scalar k0_H2O = pow(10, logk0_H2O);
- return k0_H2O;
- }
-
-};
-
-/*!
- * \brief Old version of binary coefficients for Air and brine.
- * Calculates molfraction of Air in brine according to Duan and Sun 2003
- * molfraction of H2O has been assumed to be a constant value
- * For use with the actual brine_co2_system this class still needs to be adapted
- */
-template<class Scalar, class Air, bool verbose = true>
-class Brine_Air_Old
-{
- using H2O = Dumux::Components::H2O<Scalar>;
- using Brine = Dumux::Components::Brine<Scalar,H2O>;
- // using Air = Dumux::Components::Air<Scalar>;
- using IdealGas = Dumux::IdealGas<Scalar>;
-
-public:
- /*!
- * \brief Returns the _mole_ (!) fraction of Air in the liquid
- * phase at a given temperature, pressure and density of
- * Air.
- *
- * \param temperature the temperature \f$\mathrm{[K]}\f$
- * \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
- * \param rhoAir density of Air
- */
- static Scalar moleFracAirInBrine(Scalar temperature, Scalar pg, Scalar rhoAir)
- {
- // regularisations:
- if (pg > 2.5e8) {
- pg = 2.5e8;
- }
- if (pg < 2.e5) {
- pg = 2.e5;
- }
- if (temperature < 275.) {
- temperature = 275;
- }
- if (temperature > 600.) {
- temperature = 600;
- }
-
- const Scalar Mw = H2O::molarMass(); /* molecular weight of water [kg/mol] */
- const Scalar Ms = 58.8e-3; /* molecular weight of NaCl [kg/mol] */
-
- const Scalar X_NaCl = Brine::XwNaCl;
- /* XwNaCl: conversion from mass fraction to mole fraction */
- const Scalar xwNaCl = -Mw * X_NaCl / ((Ms - Mw) * X_NaCl - Ms);
-
- // XwNaCl: conversion from mole fraction to molality
- const Scalar mol_NaCl = -55.56 * xwNaCl / (xwNaCl - 1);
-
- const Scalar A = computeA_(temperature, pg); /* mu_{Air}^{l(0)}/RT */
- const Scalar B = computeB_(temperature, pg); /* lambda_{Air-Na+} */
- const Scalar C = computeC_(temperature, pg); /* Xi_{Air-Na+-Cl-} */
- const Scalar pgAir = partialPressureAir_(temperature, pg);
- const Scalar phiAir = fugacityCoeffAir_(temperature, pgAir, rhoAir);
-
- using std::log;
- using std::pow;
- using std::exp;
- const Scalar exponent = A - log(phiAir) + 2*B*mol_NaCl + C*pow(mol_NaCl,2);
-
- const Scalar mol_Airw = pgAir / (1e5 * exp(exponent)); /* paper: equation (6) */
-
- const Scalar x_Airw = mol_Airw / (mol_Airw + 55.56); /* conversion: molality to mole fraction */
- //Scalar X_Airw = x_Airw*MAir/(x_Airw*MAir + (1-x_Airw)*Mw); /* conversion: mole fraction to mass fraction */
-
- return x_Airw;
- }
-
-private:
- /*!
- * \brief computation of mu_{Air}^{l(0)}/RT
- * \param T the temperature [K]
- * \param pg the gas phase pressure [Pa]
- */
- static Scalar computeA_(Scalar T, Scalar pg)
- {
- static const Scalar c[10] = {
- 28.9447706,
- -0.0354581768,
- -4770.67077,
- 1.02782768E-5,
- 33.8126098,
- 9.04037140E-3,
- -1.14934031E-3,
- -0.307405726,
- -0.0907301486,
- 9.32713393E-4,
- };
-
- const Scalar pg_bar = pg / 1.0E5; /* conversion from Pa to bar */
- const Scalar Tr = 630.0 - T;
-
- using std::log;
- return
- c[0] +
- c[1]*T +
- c[2]/T +
- c[3]*T*T +
- c[4]/Tr +
- c[5]*pg_bar +
- c[6]*pg_bar*log(T) +
- c[7]*pg_bar/T +
- c[8]*pg_bar/Tr +
- c[9]*pg_bar*pg_bar/(Tr*Tr);
- }
-
- /*!
- * \brief computation of B
- *
- * \param T the temperature [K]
- * \param pg the gas phase pressure [Pa]
- */
- static Scalar computeB_(Scalar T, Scalar pg)
- {
- const Scalar c1 = -0.411370585;
- const Scalar c2 = 6.07632013E-4;
- const Scalar c3 = 97.5347708;
- const Scalar c8 = -0.0237622469;
- const Scalar c9 = 0.0170656236;
- const Scalar c11 = 1.41335834E-5;
-
- const Scalar pg_bar = pg / 1.0E5; /* conversion from Pa to bar */
-
- using std::log;
- return
- c1 +
- c2*T +
- c3/T +
- c8*pg_bar/T +
- c9*pg_bar/(630.0-T) +
- c11*T*log(pg_bar);
- }
- /*!
- * \brief computation of C
- *
- * \param T the temperature [K]
- * \param pg the gas phase pressure [Pa]
- */
- static Scalar computeC_(Scalar T, Scalar pg)
- {
- const Scalar c1 = 3.36389723E-4;
- const Scalar c2 = -1.98298980E-5;
- const Scalar c8 = 2.12220830E-3;
- const Scalar c9 = -5.24873303E-3;
-
- const Scalar pg_bar = pg / 1.0E5; /* conversion from Pa to bar */
-
- return
- c1 +
- c2*T +
- c8*pg_bar/T +
- c9*pg_bar/(630.0-T);
- }
- /*!
- * \brief computation of partial pressure Air
- *
- * We assume that the partial pressure of brine is its vapor pressure.
- * \warning: Strictly this is assumption is invalid for air because the
- * mole fraction of air in brine can be considerable
- *
- * \param temperature the temperature [K]
- * \param pg the gas phase pressure [Pa]
- */
- static Scalar partialPressureAir_(Scalar temperature, Scalar pg)
- {
- return pg - Brine::vaporPressure(temperature);
- }
-
- /*!
- * \brief The fugacity coefficient of Air for a Air-H2O mixture.
- *
- * \param temperature the temperature [K]
- * \param pg the gas phase pressure [Pa]
- * \param rhoAir the density of Air for the critical volume [kg/m^3]
- */
- static Scalar fugacityCoeffAir_(Scalar temperature,
- Scalar pg,
- Scalar rhoAir)
- {
- static const Scalar a[15] = {
- 8.99288497E-2,
- -4.94783127E-1,
- 4.77922245E-2,
- 1.03808883E-2,
- -2.82516861E-2,
- 9.49887563E-2,
- 5.20600880E-4,
- -2.93540971E-4,
- -1.77265112E-3,
- -2.51101973E-5,
- 8.93353441E-5,
- 7.88998563E-5,
- -1.66727022E-2,
- 1.3980,
- 2.96000000E-2
- };
-
- // reduced temperature
- const Scalar Tr = temperature / Air::criticalTemperature();
- // reduced pressure
- const Scalar pr = pg / Air::criticalPressure();
-
- // reduced molar volume. ATTENTION: Vc is _NOT_ the critical
- // molar volume of Air. See the reference!
- const Scalar Vc = IdealGas::R*Air::criticalTemperature()/Air::criticalPressure();
- const Scalar Vr =
- // molar volume of Air at (temperature, pg)
- Air::molarMass() / rhoAir
- *
- // "pseudo-critical" molar volume
- 1.0 / Vc;
-
- // the Z coefficient
- const Scalar Z = pr * Vr / Tr;
-
- const Scalar A = a[0] + a[1] / (Tr * Tr) + a[2] / (Tr * Tr * Tr);
- const Scalar B = a[3] + a[4] / (Tr * Tr) + a[5] / (Tr * Tr * Tr);
- const Scalar C = a[6] + a[7] / (Tr * Tr) + a[8] / (Tr * Tr * Tr);
- const Scalar D = a[9] + a[10] / (Tr * Tr) + a[11] / (Tr * Tr * Tr);
-
- using std::log;
- using std::exp;
- const Scalar lnphiAir =
- Z - 1 -
- log(Z) +
- A/Vr +
- B/(2*Vr*Vr) +
- C/(4*Vr*Vr*Vr*Vr) +
- D/(5*Vr*Vr*Vr*Vr*Vr)
- +
- a[12]/(2*Tr*Tr*Tr*a[14])*
- (
- a[13] + 1 -
- ( a[13] + 1 +
- a[14]/(Vr*Vr)
- )*exp(-a[14]/(Vr*Vr)));
-
- return exp(lnphiAir);
- }
-
-};
-}
-} // end namespace
-
-#endif
diff --git a/dumux/material/components/nacl.hh b/dumux/material/components/nacl.hh
index 4fd0e1071d6a5a5cabbc1f12c81bec6f77ee849e..038c2e1df91443e13cca75240cd1288194ade1ca 100644
--- a/dumux/material/components/nacl.hh
+++ b/dumux/material/components/nacl.hh
@@ -43,7 +43,6 @@ namespace Components {
template <class Scalar>
class NaCl
: public Components::Base<Scalar, NaCl<Scalar> >
-, public Components::Liquid<Scalar, NaCl<Scalar> >
, public Components::Solid<Scalar, NaCl<Scalar> >
{
public:
@@ -63,16 +62,6 @@ public:
return 58.4428e-3 ;
}
- /*!
- * \brief The diffusion Coefficient \f$\mathrm{[m^2/s]}\f$ of NaCl in water.
- * \param temperature absolute temperature in \f$\mathrm{[K]}\f$
- * \param pressure of the phase in \f$\mathrm{[Pa]}\f$
- */
- static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
- {
- return 2e-9;
- }
-
/*!
* \brief The mass density \f$\mathrm{[kg/m^3]}\f$ of NaCl.
*/
@@ -105,8 +94,6 @@ public:
{
return 6.49;
}
-
-
};
} // end namespace Components
diff --git a/dumux/material/fluidstates/2p2c.hh b/dumux/material/fluidstates/2p2c.hh
index c628adde8cfa901829cdb57ee9c644c8eb8a55c8..23434d11a996c9496ee8b1d3a1ebecfa99308c91 100644
--- a/dumux/material/fluidstates/2p2c.hh
+++ b/dumux/material/fluidstates/2p2c.hh
@@ -32,7 +32,7 @@ namespace Dumux {
* sequential 2p2c model.
* This boils down to so-called "flash calculation", in this case isothermal and isobaric.
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class TwoPTwoCFluidState
{
public:
@@ -41,12 +41,12 @@ public:
phase1Idx = FluidSystem::phase1Idx,
};
- enum {
- numPhases = FluidSystem::numPhases,
- numComponents = FluidSystem::numComponents
- };
-
public:
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ //! export the scalar type
+ using Scalar = ScalarType;
// comply with new style 2p2c models
int wettingPhase() const
diff --git a/dumux/material/fluidstates/adapter.hh b/dumux/material/fluidstates/adapter.hh
new file mode 100644
index 0000000000000000000000000000000000000000..4dae36fef463cebfff08a42a6259c662157251a7
--- /dev/null
+++ b/dumux/material/fluidstates/adapter.hh
@@ -0,0 +1,119 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \ingroup FluidStates
+ * \brief Adapter class for fluid states with different indices
+ */
+#ifndef DUMUX_MATERIAL_FLUID_STATE_ADAPTER_HH
+#define DUMUX_MATERIAL_FLUID_STATE_ADAPTER_HH
+
+#include <array>
+#include <dune/common/exceptions.hh>
+
+namespace Dumux {
+
+/*!
+ * \ingroup FluidStates
+ * \tparam FluidState the fluid state that is adapted to another fluid state's index set
+ * \tparam AdapterPolicy
+ * \brief Adapter class for fluid states with different indices
+ * \note This is useful when writing a fluid system that has another fluid system as an ingredient
+ * To forward to the other fluid system (which variables to be sorted according to its own indices)
+ * create the fluid state adapter of the fluid state to forward and pass the adapter to this fluid state.
+ * You need to provide an adapter policy which maps the phase and component indices from the embedded fluid
+ * system's indices to the actual fluid system's indices.
+ */
+template<class FluidState, class AdapterPolicy>
+class FluidStateAdapter
+{
+ using FluidSystem = typename AdapterPolicy::FluidSystem;
+public:
+ //! export scalar type
+ using Scalar = typename FluidState::Scalar;
+
+ //! export number of phases and components of the embedded fluid system
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ /*!
+ * \ingroup FluidStates
+ * \brief Adapter class for fluid states with different indices
+ * \param fluidState the fluid state to be wrapped
+ */
+ FluidStateAdapter(const FluidState& fluidState)
+ : fluidState_(fluidState)
+ {}
+
+ /*!
+ * \name Member functions forwarding to the fluid state mapping the indices
+ */
+ // \{
+ int wettingPhase() const
+ { DUNE_THROW(Dune::InvalidStateException, "wetting phase index cannot be mapped"); }
+
+ Scalar moleFraction(int phaseIdx, int compIdx) const
+ {
+ Scalar sumMoleFrac = 0.0;
+ for (int cIdx = 0; cIdx < numComponents; ++cIdx)
+ sumMoleFrac += fluidState_.moleFraction(AdapterPolicy::phaseIdx(phaseIdx), AdapterPolicy::compIdx(cIdx));
+
+ return fluidState_.moleFraction(AdapterPolicy::phaseIdx(phaseIdx), AdapterPolicy::compIdx(compIdx))/sumMoleFrac;
+ }
+
+ Scalar massFraction(int phaseIdx, int compIdx) const
+ {
+ Scalar sumMassFrac = 0.0;
+ for (int cIdx = 0; cIdx < numComponents; ++cIdx)
+ sumMassFrac += fluidState_.massFraction(AdapterPolicy::phaseIdx(phaseIdx), AdapterPolicy::compIdx(cIdx));
+
+ return fluidState_.massFraction(AdapterPolicy::phaseIdx(phaseIdx), AdapterPolicy::compIdx(compIdx))/sumMassFrac;
+ }
+
+ Scalar averageMolarMass(int phaseIdx) const
+ {
+ Scalar sumXi = 0.0;
+ Scalar sumXiMi = 0.0;
+ for (int cIdx = 0; cIdx < numComponents; ++cIdx)
+ {
+ const auto xi = fluidState_.moleFraction(AdapterPolicy::phaseIdx(phaseIdx), AdapterPolicy::compIdx(cIdx));
+ sumXi += xi;
+ sumXiMi += xi*FluidSystem::molarMass(cIdx);
+ }
+
+ return sumXiMi/sumXi;
+ }
+
+ Scalar pressure(int phaseIdx) const
+ { return fluidState_.pressure(AdapterPolicy::phaseIdx(phaseIdx)); }
+
+ Scalar temperature(int phaseIdx) const
+ { return fluidState_.temperature(AdapterPolicy::phaseIdx(phaseIdx)); }
+
+ Scalar temperature() const
+ { return fluidState_.temperature(0); }
+ // \}
+
+private:
+ const FluidState& fluidState_;
+};
+
+} // end namespace Dumux
+
+#endif
diff --git a/dumux/material/fluidstates/compositional.hh b/dumux/material/fluidstates/compositional.hh
index 35f58e3dc21bd5b90636a4f127a0857b1a650e67..31dd1cf6e0112c15fd2cccf703d163f63eabcc44 100644
--- a/dumux/material/fluidstates/compositional.hh
+++ b/dumux/material/fluidstates/compositional.hh
@@ -40,12 +40,15 @@ namespace Dumux {
* multi-phase, multi-component fluid system assuming
* thermodynamic equilibrium.
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class CompositionalFluidState
{
public:
- enum { numPhases = FluidSystem::numPhases };
- enum { numComponents = FluidSystem::numComponents };
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ //! export the scalar type
+ using Scalar = ScalarType;
//! default constructor
CompositionalFluidState() = default;
diff --git a/dumux/material/fluidstates/immiscible.hh b/dumux/material/fluidstates/immiscible.hh
index ec7b05b630a18e62f62fd53f30c2c85c3346795f..b1168b4026156701952f97ab53c974b08e7a756d 100644
--- a/dumux/material/fluidstates/immiscible.hh
+++ b/dumux/material/fluidstates/immiscible.hh
@@ -37,16 +37,19 @@ namespace Dumux {
* multi-phase fluid system assuming immiscibility and
* thermodynamic equilibrium.
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class ImmiscibleFluidState
{
public:
- static constexpr int numComponents = FluidSystem::numComponents;
static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
static_assert(numPhases == numComponents,
"The number of phases must be equal to the number of "
"components if immiscibility is assumed!");
+ //! export the scalar type
+ using Scalar = ScalarType;
+
//! default constructor
ImmiscibleFluidState() = default;
diff --git a/dumux/material/fluidstates/isothermalimmiscible.hh b/dumux/material/fluidstates/isothermalimmiscible.hh
index 6885d05baf9abd25f0d744165350aefa37b285bf..41d89e189b302439421d96d0a38f2099017171a6 100644
--- a/dumux/material/fluidstates/isothermalimmiscible.hh
+++ b/dumux/material/fluidstates/isothermalimmiscible.hh
@@ -37,11 +37,15 @@ namespace Dumux {
* multi-phase fluid system assuming immiscibility and
* thermodynamic equilibrium.
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class IsothermalImmiscibleFluidState
{
public:
static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ //! export the scalar type
+ using Scalar = ScalarType;
//! default constructor
IsothermalImmiscibleFluidState() = default;
diff --git a/dumux/material/fluidstates/nonequilibrium.hh b/dumux/material/fluidstates/nonequilibrium.hh
index 0c1a34ad5f25ef0b79157cfef58d3adecfa68daa..879dd662322cfce06606749e42ca5e1c26324ca6 100644
--- a/dumux/material/fluidstates/nonequilibrium.hh
+++ b/dumux/material/fluidstates/nonequilibrium.hh
@@ -38,13 +38,16 @@ namespace Dumux {
* multi-phase, multi-component fluid system without using
* any assumptions.
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class NonEquilibriumFluidState
{
public:
static constexpr int numPhases = FluidSystem::numPhases;
static constexpr int numComponents = FluidSystem::numComponents;
+ //! export the scalar type
+ using Scalar = ScalarType;
+
/*****************************************************
* Generic access to fluid properties (No assumptions
* on thermodynamic equilibrium required)
diff --git a/dumux/material/fluidstates/nonequilibriumenergy.hh b/dumux/material/fluidstates/nonequilibriumenergy.hh
index c9584df750eb5ade3948f5eaf9baca0964b720ab..aebaab721b5b3d691bf8f2a095127e4ada8e86f9 100644
--- a/dumux/material/fluidstates/nonequilibriumenergy.hh
+++ b/dumux/material/fluidstates/nonequilibriumenergy.hh
@@ -40,14 +40,17 @@ namespace Dumux {
* - local thermal non-equilibrium
* - local chemical equilibrium
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class NonEquilibriumEnergyFluidState
-: public NonEquilibriumFluidState<Scalar, FluidSystem>
+: public NonEquilibriumFluidState<ScalarType, FluidSystem>
{
- using ParentType = NonEquilibriumFluidState<Scalar, FluidSystem>;
+ using ParentType = NonEquilibriumFluidState<ScalarType, FluidSystem>;
public:
- enum { numPhases = FluidSystem::numPhases };
- enum { numComponents = FluidSystem::numComponents };
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ //! export the scalar type
+ using Scalar = ScalarType;
using ParentType::ParentType;
diff --git a/dumux/material/fluidstates/nonequilibriummass.hh b/dumux/material/fluidstates/nonequilibriummass.hh
index c450d2fc3b9931dcabe38338ea91c378aaab73f3..f0a2e61334578ce7edf69b5746cb7b3425c2d225 100644
--- a/dumux/material/fluidstates/nonequilibriummass.hh
+++ b/dumux/material/fluidstates/nonequilibriummass.hh
@@ -40,14 +40,17 @@ namespace Dumux {
* - local thermal equilibrium
* - local chemical non-equilibrium
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class NonEquilibriumMassFluidState
-: public NonEquilibriumFluidState<Scalar, FluidSystem>
+: public NonEquilibriumFluidState<ScalarType, FluidSystem>
{
- using ParentType = NonEquilibriumFluidState<Scalar, FluidSystem>;
+ using ParentType = NonEquilibriumFluidState<ScalarType, FluidSystem>;
public:
- enum { numPhases = FluidSystem::numPhases };
- enum { numComponents = FluidSystem::numComponents };
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ //! export the scalar type
+ using Scalar = ScalarType;
using ParentType::ParentType;
diff --git a/dumux/material/fluidstates/pressureoverlay.hh b/dumux/material/fluidstates/pressureoverlay.hh
index 5ee250dedaa6ed3f4f6cbaa9086d748a0405b5dc..793e06eef6e2a1eac3c46a918b839b8ada07d669 100644
--- a/dumux/material/fluidstates/pressureoverlay.hh
+++ b/dumux/material/fluidstates/pressureoverlay.hh
@@ -34,12 +34,15 @@ namespace Dumux {
* pressures and takes all other quantities from an other
* fluid state.
*/
-template <class Scalar, class FluidState>
+template <class FluidState>
class PressureOverlayFluidState
{
public:
- enum { numPhases = FluidState::numPhases };
- enum { numComponents = FluidState::numComponents };
+ static constexpr int numPhases = FluidState::numPhases;
+ static constexpr int numComponents = FluidState::numComponents;
+
+ //! export the scalar type
+ using Scalar = typename FluidState::Scalar;
/*!
* \brief Constructor
diff --git a/dumux/material/fluidstates/pseudo1p2c.hh b/dumux/material/fluidstates/pseudo1p2c.hh
index 81213dd393af0a4a6e10fcbaf3daf872f94f086d..93872b3bd706812cbfd9ada25e47df6281315086 100644
--- a/dumux/material/fluidstates/pseudo1p2c.hh
+++ b/dumux/material/fluidstates/pseudo1p2c.hh
@@ -39,15 +39,17 @@ namespace Dumux {
* The "flash" calculation routines are in the sequential flash constrain solver, see
* CompositionalFlash .
*/
-template <class Scalar, class FluidSystem>
+template <class ScalarType, class FluidSystem>
class PseudoOnePTwoCFluidState
{
public:
- enum {
- numPhases = FluidSystem::numPhases,
- numComponents = FluidSystem::numComponents
- };
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
+
+ //! export the scalar type
+ using Scalar = ScalarType;
+
enum {
phase0Idx = FluidSystem::phase0Idx,
phase1Idx = FluidSystem::phase1Idx,
@@ -56,7 +58,6 @@ public:
comp1Idx = FluidSystem::comp1Idx
};
-public:
/*! \name Acess functions */
//@{
/*!
diff --git a/dumux/material/fluidstates/saturationoverlay.hh b/dumux/material/fluidstates/saturationoverlay.hh
index c3d2f81a9dda90d38debd5ec5be831a4ca44a2ac..3d02a3427f0f7ba1be4dd71be99d879b04514426 100644
--- a/dumux/material/fluidstates/saturationoverlay.hh
+++ b/dumux/material/fluidstates/saturationoverlay.hh
@@ -34,12 +34,15 @@ namespace Dumux {
* saturations and takes all other quantities from an other
* fluid state.
*/
-template <class Scalar, class FluidState>
+template <class FluidState>
class SaturationOverlayFluidState
{
public:
- enum { numPhases = FluidState::numPhases };
- enum { numComponents = FluidState::numComponents };
+ static constexpr int numPhases = FluidState::numPhases;
+ static constexpr int numComponents = FluidState::numComponents;
+
+ //! export the scalar type
+ using Scalar = typename FluidState::Scalar;
/*!
* \brief Constructor
diff --git a/dumux/material/fluidstates/temperatureoverlay.hh b/dumux/material/fluidstates/temperatureoverlay.hh
index 65d52b8724a99d4ab3bd254864f7e72057e0c3d1..c1d721329244170fae68d1fa60927c0f32166c7c 100644
--- a/dumux/material/fluidstates/temperatureoverlay.hh
+++ b/dumux/material/fluidstates/temperatureoverlay.hh
@@ -34,12 +34,15 @@ namespace Dumux {
* temperatures and takes all other quantities from an other
* fluid state.
*/
-template <class Scalar, class FluidState>
+template <class FluidState>
class TemperatureOverlayFluidState
{
public:
- enum { numPhases = FluidState::numPhases };
- enum { numComponents = FluidState::numComponents };
+ static constexpr int numPhases = FluidState::numPhases;
+ static constexpr int numComponents = FluidState::numComponents;
+
+ //! export the scalar type
+ using Scalar = typename FluidState::Scalar;
/*!
* \brief Constructor
diff --git a/dumux/material/fluidsystems/base.hh b/dumux/material/fluidsystems/base.hh
index 051c683c72a6ebf5aa41a8e752d1fd271df1d7b0..e2ab7ecf8c8c917838e136f9c82ee5446daba413 100644
--- a/dumux/material/fluidsystems/base.hh
+++ b/dumux/material/fluidsystems/base.hh
@@ -59,7 +59,6 @@ public:
/*!
* \brief Get the main component of a given phase if possible
*
- * \param compIdx The index of the component to check
* \param phaseIdx The index of the fluid phase to consider
* \note This method has to can throw at compile time if the fluid system doesn't assume a
* main phase. Then using e.g. Fick's law will fail compiling.
diff --git a/dumux/material/fluidsystems/brine.hh b/dumux/material/fluidsystems/brine.hh
new file mode 100644
index 0000000000000000000000000000000000000000..2ac1d7ae960a3467acc0312c45bf79faec92871a
--- /dev/null
+++ b/dumux/material/fluidsystems/brine.hh
@@ -0,0 +1,479 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief A fluid system for brine, i.e. H2O with dissolved NaCl.
+ */
+#ifndef DUMUX_BRINE_FLUID_SYSTEM_HH
+#define DUMUX_BRINE_FLUID_SYSTEM_HH
+
+#include <dumux/material/fluidsystems/base.hh>
+
+#include <dumux/material/constants.hh>
+#include <dumux/material/components/h2o.hh>
+#include <dumux/material/components/nacl.hh>
+#include <dumux/material/components/tabulatedcomponent.hh>
+
+#include <dumux/common/exceptions.hh>
+
+namespace Dumux {
+namespace FluidSystems {
+
+/*!
+ * \ingroup Fluidsystems
+ * \brief A compositional single phase fluid system consisting of
+ * two components, which are H2O and NaCl.
+ */
+template< class Scalar, class H2OType = Components::TabulatedComponent<Dumux::Components::H2O<Scalar>> >
+class Brine : public BaseFluidSystem< Scalar, Brine<Scalar, H2OType>>
+{
+ using ThisType = Brine<Scalar, H2OType>;
+ using Base = BaseFluidSystem<Scalar, ThisType>;
+
+public:
+ //! export the involved components
+ using H2O = H2OType;
+ using NaCl = Dumux::Components::NaCl<Scalar>;
+
+ static const int numPhases = 1; //!< Number of phases in the fluid system
+ static const int numComponents = 2; //!< Number of components in the fluid system (H2O, NaCl)
+
+ static constexpr int phase0Idx = 0; //!< Index of the first (and only) phase
+ static constexpr int liquidPhaseIdx = phase0Idx; //!< The one considered phase is liquid
+
+ static constexpr int H2OIdx = 0; //!< index of the water component
+ static constexpr int NaClIdx = 1; //!< index of the NaCl component
+ static constexpr int comp0Idx = H2OIdx; //!< index of the first component
+ static constexpr int comp1Idx = NaClIdx; //!< index of the second component
+
+ /*!
+ * \brief Return the human readable name of the phase
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static const std::string phaseName(int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ return "brine";
+ }
+
+ /*!
+ * \brief Returns whether the fluids are miscible
+ * \note There is only one phase, so miscibility makes no sense here
+ */
+ static constexpr bool isMiscible()
+ {
+ return false;
+ }
+
+ /*!
+ * \brief Return whether a phase is liquid
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static constexpr bool isLiquid(int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ return true;
+ }
+
+ /*!
+ * \brief Returns true if and only if a fluid phase is assumed to
+ * be an ideal mixture.
+ *
+ * We define an ideal mixture as a fluid phase where the fugacity
+ * coefficients of all components times the pressure of the phase
+ * are indepent on the fluid composition. This assumtion is true
+ * if Henry's law and Raoult's law apply. If you are unsure what
+ * this function should return, it is safe to return false. The
+ * only damage done will be (slightly) increased computation times
+ * in some cases.
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static bool isIdealMixture(int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ return true;
+ }
+
+ /*!
+ * \brief Returns true if and only if a fluid phase is assumed to
+ * be compressible.
+ *
+ * Compressible means that the partial derivative of the density
+ * to the fluid pressure is always larger than zero.
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static bool isCompressible(int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ return H2O::liquidIsCompressible();
+ }
+
+ /*!
+ * \brief Returns true if and only if a fluid phase is assumed to
+ * be an ideal gas.
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+
+ static bool isIdealGas(int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ return false; /*we're a liquid!*/
+ }
+
+ /****************************************
+ * Component related static parameters
+ ****************************************/
+
+ /*!
+ * \brief Return the human readable name of a component
+ * \param compIdx The index of the component to consider
+ */
+ static std::string componentName(int compIdx)
+ {
+ switch (compIdx)
+ {
+ case H2OIdx: return H2O::name();
+ case NaClIdx: return NaCl::name();
+ };
+ DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);
+ }
+
+ /*!
+ * \brief Return the molar mass of a component in \f$\mathrm{[kg/mol]}\f$.
+ * \param compIdx The index of the component to consider
+ */
+ static Scalar molarMass(int compIdx)
+ {
+ switch (compIdx)
+ {
+ case H2OIdx: return H2O::molarMass();
+ case NaClIdx: return NaCl::molarMass();
+ };
+ DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);
+ }
+
+ /****************************************
+ * thermodynamic relations
+ ****************************************/
+ /*!
+ * \brief Initialize the fluid system's static parameters generically
+ * \note If a tabulated H2O component is used, we do our best to create
+ * tables that always work.
+ */
+ static void init()
+ {
+ init(/*tempMin=*/273.15,
+ /*tempMax=*/623.15,
+ /*numTemp=*/100,
+ /*pMin=*/-10.,
+ /*pMax=*/20e6,
+ /*numP=*/200);
+ }
+
+ /*!
+ * \brief Initialize the fluid system's static parameters using
+ * problem specific temperature and pressure ranges
+ *
+ * \param tempMin The minimum temperature used for tabulation of water [K]
+ * \param tempMax The maximum temperature used for tabulation of water [K]
+ * \param nTemp The number of ticks on the temperature axis of the table of water
+ * \param pressMin The minimum pressure used for tabulation of water [Pa]
+ * \param pressMax The maximum pressure used for tabulation of water [Pa]
+ * \param nPress The number of ticks on the pressure axis of the table of water
+ */
+ static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp,
+ Scalar pressMin, Scalar pressMax, unsigned nPress)
+ {
+
+ if (H2O::isTabulated)
+ {
+ std::cout << "Initializing tables for the H2O fluid properties ("
+ << nTemp*nPress
+ << " entries).\n";
+
+ H2O::init(tempMin, tempMax, nTemp, pressMin, pressMax, nPress);
+ }
+ }
+
+ using Base::density;
+ /*!
+ * \brief Return the phase density [kg/m^3].
+ * \note The density is compuated as a function of the salt mass fraction
+ */
+ template <class FluidState>
+ static Scalar density(const FluidState& fluidState, int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ const Scalar temperature = fluidState.temperature(phaseIdx);
+ const Scalar pressure = fluidState.pressure(phaseIdx);
+ const Scalar xNaCl = fluidState.massFraction(phaseIdx, NaClIdx);
+
+ using std::max;
+ const Scalar TempC = temperature - 273.15;
+ const Scalar pMPa = pressure/1.0E6;
+ const Scalar salinity = max(0.0, xNaCl);
+
+ const Scalar rhow = H2O::liquidDensity(temperature, pressure);
+ const Scalar density = rhow + 1000*salinity*(0.668 +
+ 0.44*salinity +
+ 1.0E-6*(300*pMPa -
+ 2400*pMPa*salinity +
+ TempC*(80.0 +
+ 3*TempC -
+ 3300*salinity -
+ 13*pMPa +
+ 47*pMPa*salinity)));
+ assert(density > 0.0);
+ return density;
+ }
+
+ using Base::fugacityCoefficient;
+ /*!
+ * \copybrief Base::fugacityCoefficient
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ * \param compIdx The index of the component to consider
+ */
+ template <class FluidState>
+ static Scalar fugacityCoefficient(const FluidState &fluidState,
+ int phaseIdx,
+ int compIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ assert(0 <= compIdx && compIdx < numComponents);
+
+ if (phaseIdx == compIdx)
+ // We could calculate the real fugacity coefficient of
+ // the component in the fluid. Probably that's not worth
+ // the effort, since the fugacity coefficient of the other
+ // component is infinite anyway...
+ return 1.0;
+ return std::numeric_limits<Scalar>::infinity();
+ }
+
+ using Base::viscosity;
+ /*!
+ * \brief Return the viscosity of the phase.
+ */
+ template <class FluidState>
+ static Scalar viscosity(const FluidState& fluidState, int phaseIdx = liquidPhaseIdx)
+ {
+ assert(phaseIdx == liquidPhaseIdx);
+ const Scalar temperature = fluidState.temperature(phaseIdx);
+ const Scalar xNaCl = fluidState.massFraction(phaseIdx, NaClIdx);
+
+ using std::pow;
+ using std::exp;
+ using std::max;
+ const Scalar T = max(temperature, 275.0);
+ const Scalar salinity = max(0.0, xNaCl);
+
+ const Scalar T_C = T - 273.15;
+ const Scalar A = ((0.42*pow((pow(salinity, 0.8)-0.17), 2)) + 0.045)*pow(T_C, 0.8);
+ const Scalar mu_brine = 0.1 + (0.333*salinity) + (1.65+(91.9*salinity*salinity*salinity))*exp(-A); // [cP]
+ assert(mu_brine > 0.0);
+ return mu_brine/1000.0; // [Pa·s]
+ }
+
+ /*!
+ * \brief Vapor pressure of a component \f$\mathrm{[Pa]}\f$.
+ *
+ * \param fluidState The fluid state
+ * \param compIdx The index of the component to consider
+ */
+ template <class FluidState>
+ static Scalar vaporPressure(const FluidState& fluidState, int compIdx)
+ {
+ if (compIdx == H2OIdx)
+ {
+ // simplified version of Eq 2.29 in Vishal Jambhekar's Promo
+ const Scalar temperature = fluidState.temperature(H2OIdx);
+ return H2O::vaporPressure(temperature)/fluidState.massFraction(phase0Idx, H2OIdx);
+ }
+ else if (compIdx == NaClIdx)
+ DUNE_THROW(Dune::NotImplemented, "NaCl::vaporPressure(t)");
+ else
+ DUNE_THROW(Dune::NotImplemented, "Invalid component index " << compIdx);
+ }
+
+ using Base::enthalpy;
+ /*!
+ * \brief Given a phase's composition, temperature and pressure,
+ * return its specific enthalpy \f$\mathrm{[J/kg]}\f$.
+ *
+ * \param fluidState The fluid state
+ * \param compIdx The index of the component to consider
+ *
+ * Equations given in:
+ * - Palliser & McKibbin (1998) \cite palliser1998 <BR>
+ * - Michaelides (1981) \cite michaelides1981 <BR>
+ * - Daubert & Danner (1989) \cite daubert1989
+ *
+ */
+ template <class FluidState>
+ static Scalar enthalpy(const FluidState& fluidState, int phaseIdx)
+ {
+ /*Numerical coefficients from PALLISER*/
+ static const Scalar f[] = { 2.63500E-1, 7.48368E-6, 1.44611E-6, -3.80860E-10 };
+
+ /*Numerical coefficients from MICHAELIDES for the enthalpy of brine*/
+ static const Scalar a[4][3] = { { +9633.6, -4080.0, +286.49 },
+ { +166.58, +68.577, -4.6856 },
+ { -0.90963, -0.36524, +0.249667E-1 },
+ { +0.17965E-2, +0.71924E-3, -0.4900E-4 } };
+
+ const Scalar p = fluidState.pressure(phaseIdx);
+ const Scalar T = fluidState.temperature(phaseIdx);
+ const Scalar theta = T - 273.15;
+ const Scalar salSat = f[0] + f[1]*theta + f[2]*theta*theta + f[3]*theta*theta*theta;
+
+ /*Regularization*/
+ using std::min;
+ using std::max;
+ const Scalar xNaCl = fluidState.massFraction(phase0Idx, NaClIdx);
+ const Scalar salinity = min(max(xNaCl,0.0), salSat);
+
+ const Scalar hw = H2O::liquidEnthalpy(T, p)/1E3; /* kJ/kg */
+
+ /*DAUBERT and DANNER*/
+ const Scalar h_NaCl = (3.6710E4*T + 0.5*(6.2770E1)*T*T - ((6.6670E-2)/3)*T*T*T
+ + ((2.8000E-5)/4)*(T*T*T*T))/(58.44E3)- 2.045698e+02; /* U [kJ/kg] */
+
+ const Scalar m = (1E3/58.44)*(salinity/(1-salinity));
+
+ using std::pow;
+ Scalar d_h = 0;
+ for (int i = 0; i<=3; i++)
+ for (int j=0; j<=2; j++)
+ d_h = d_h + a[i][j] * pow(theta, i) * pow(m, j);
+
+ /* heat of dissolution for halite according to Michaelides 1971 */
+ const Scalar delta_h = (4.184/(1E3 + (58.44 * m)))*d_h;
+
+ /* Enthalpy of brine without any dissolved gas */
+ const Scalar h_ls1 =(1-salinity)*hw + salinity*h_NaCl + salinity*delta_h; /* kJ/kg */
+ return h_ls1*1E3; /*J/kg*/
+ }
+
+ using Base::molarDensity;
+ /*!
+ * \brief The molar density \f$\rho_{mol,\alpha}\f$ of
+ * the fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$
+ *
+ * The molar density for the simple relation is defined by the
+ * mass density \f$\rho_\alpha\f$ and the molar mass of the main component \f$M_\kappa\f$:
+ *
+ * \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{M_\kappa} \;.\f]
+ */
+ template <class FluidState>
+ static Scalar molarDensity(const FluidState& fluidState, int phaseIdx = liquidPhaseIdx)
+ {
+ return density(fluidState, phaseIdx)/fluidState.averageMolarMass(phaseIdx);
+ }
+
+ using Base::diffusionCoefficient;
+ /*!
+ * \brief Returns the diffusion coefficient \f$\mathrm{[-]}\f$
+ * of a component in a phase.
+ */
+ template <class FluidState>
+ static Scalar diffusionCoefficient(const FluidState& fluidState, int phaseIdx, int compIdx)
+ {
+ DUNE_THROW(Dune::NotImplemented, "FluidSystems::Brine::diffusionCoefficient()");
+ }
+
+ using Base::binaryDiffusionCoefficient;
+ /*!
+ * \brief Given a phase's composition, temperature and pressure,
+ * return the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for components
+ * \f$\mathrm{i}\f$ and \f$\mathrm{j}\f$ in this phase.
+ * \param fluidState The fluid state
+ * \param paramCache mutable parameters
+ * \param phaseIdx Index of the fluid phase
+ * \param compIIdx Index of the component i
+ * \param compJIdx Index of the component j
+ */
+ template <class FluidState>
+ static Scalar binaryDiffusionCoefficient(const FluidState& fluidState,
+ int phaseIdx,
+ int compIIdx,
+ int compJIdx)
+ {
+ if (phaseIdx == liquidPhaseIdx)
+ {
+ //! \todo TODO implement binary coefficients
+ // http://webserver.dmt.upm.es/~isidoro/dat1/Mass%20diffusivity%20data.htm
+ // The link above was given as a reference in brine_air fluid system.
+ // Doesn't work anymore though...
+ if (compJIdx == NaClIdx)
+ return 0.12e-9;
+ else
+ DUNE_THROW(Dune::NotImplemented, "Binary diffusion coefficient of components "
+ << compIIdx << " and " << compJIdx
+ << " in phase " << phaseIdx);
+ }
+
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index: " << phaseIdx);
+ }
+
+ using Base::thermalConductivity;
+ /*!
+ * \brief Thermal conductivity of a fluid phase \f$\mathrm{[W/(m K)]}\f$.
+ * \param fluidState An abitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ *
+ * \todo TODO: For the thermal conductivity of the phases the contribution of
+ * NaCl is neglected. This contribution is probably not big, but somebody
+ * would have to find out its influence.
+ */
+ template <class FluidState>
+ static Scalar thermalConductivity(const FluidState& fluidState, int phaseIdx)
+ {
+ if (phaseIdx == liquidPhaseIdx)
+ return H2O::liquidThermalConductivity(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx));
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index: " << phaseIdx);
+ }
+
+ using Base::heatCapacity;
+ /*!
+ * \brief Specific isobaric heat capacity of a fluid phase.
+ * \f$\mathrm{[J/(kg*K)}\f$.
+ * \param fluidState An abitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ *
+ * \todo TODO: The calculation of the isobaric heat capacity is preliminary. A better
+ * description of the influence of NaCl on the phase property has to be found.
+ */
+ template <class FluidState>
+ static Scalar heatCapacity(const FluidState &fluidState, int phaseIdx)
+ {
+ if (phaseIdx == liquidPhaseIdx)
+ return H2O::liquidHeatCapacity(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx));
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
+ }
+};
+
+} // end namespace FluidSystems
+} // end namespace Dumux
+
+#endif
diff --git a/dumux/material/fluidsystems/brineair.hh b/dumux/material/fluidsystems/brineair.hh
index aa097bf58937c45ad442691eb7efacd8cd38f246..437977735f86c1db94d04d3fddea409eb7edf807 100644
--- a/dumux/material/fluidsystems/brineair.hh
+++ b/dumux/material/fluidsystems/brineair.hh
@@ -21,27 +21,31 @@
* \ingroup Fluidsystems
* \brief @copybrief Dumux::FluidSystems::BrineAir
*/
-#ifndef DUMUX_BRINE_AIR_SYSTEM_HH
-#define DUMUX_BRINE_AIR_SYSTEM_HH
+#ifndef DUMUX_BRINE_AIR_FLUID_SYSTEM_HH
+#define DUMUX_BRINE_AIR_FLUID_SYSTEM_HH
+#include <array>
#include <cassert>
#include <iomanip>
#include <dumux/material/idealgas.hh>
+#include <dumux/material/fluidstates/adapter.hh>
#include <dumux/material/fluidsystems/base.hh>
-#include <dumux/material/components/brine.hh>
+#include <dumux/material/fluidsystems/brine.hh>
#include <dumux/material/components/air.hh>
#include <dumux/material/components/h2o.hh>
#include <dumux/material/components/nacl.hh>
-#include <dumux/material/binarycoefficients/brine_air.hh>
#include <dumux/material/binarycoefficients/h2o_air.hh>
#include <dumux/material/components/tabulatedcomponent.hh>
#include <dumux/common/valgrind.hh>
#include <dumux/common/exceptions.hh>
+#include "brine.hh"
+
namespace Dumux {
namespace FluidSystems {
+
/*!
* \ingroup Fluidsystems
* \brief Policy for the brine-air fluid system
@@ -58,8 +62,8 @@ struct BrineAirDefaultPolicy
* \brief A compositional two-phase fluid system with a liquid and a gaseous phase
* and \f$H_2O\f$, \f$Air\f$ and \f$S\f$ (dissolved minerals) as components.
*
- * This fluidsystem is applied by default with the tabulated version of
- * water of the IAPWS-formulation.
+ * \note This fluidsystem is applied by default with the tabulated version of
+ * water of the IAPWS-formulation.
*/
template <class Scalar,
class H2Otype = Components::TabulatedComponent<Components::H2O<Scalar>>,
@@ -72,48 +76,74 @@ class BrineAir
using IdealGas = Dumux::IdealGas<Scalar>;
public:
+ //! export the involved components
using H2O = H2Otype;
using Air = Components::Air<Scalar>;
- using Brine = Components::Brine<Scalar, H2Otype>;
using NaCl = Components::NaCl<Scalar>;
+
+ //! export the underlying brine fluid system for the liquid phase
+ using Brine = Dumux::FluidSystems::Brine<Scalar, H2Otype>;
+
+ //! export the binary coefficients between air and water
using H2O_Air = BinaryCoeff::H2O_Air;
- using Brine_Air = BinaryCoeff::Brine_Air<Scalar, Air>;
- // the type of parameter cache objects. this fluid system does not
+ //! the type of parameter cache objects
using ParameterCache = NullParameterCache;
/****************************************
* Fluid phase related static parameters
****************************************/
- static constexpr int numPhases = 2; // liquid and gas phases
+ static constexpr int numPhases = 2; // one liquid and one gas phase
static constexpr int numComponents = 3; // H2O, Air, NaCl
static constexpr int liquidPhaseIdx = 0; // index of the liquid phase
- static constexpr int gasPhaseIdx = 1; // index of the gas phase
+ static constexpr int gasPhaseIdx = 1; // index of the gas phase
static constexpr int phase0Idx = liquidPhaseIdx; // index of the first phase
- static constexpr int phase1Idx = gasPhaseIdx; // index of the second phase
+ static constexpr int phase1Idx = gasPhaseIdx; // index of the second phase
// export component indices to indicate the main component
// of the corresponding phase at atmospheric pressure 1 bar
// and room temperature 20°C:
static constexpr int H2OIdx = 0;
static constexpr int AirIdx = 1;
+ static constexpr int NaClIdx = 2;
static constexpr int comp0Idx = H2OIdx;
static constexpr int comp1Idx = AirIdx;
- static constexpr int NaClIdx = 2;
+ static constexpr int comp2Idx = NaClIdx;
+
+private:
+ struct BrineAdapterPolicy
+ {
+ using FluidSystem = Brine;
+
+ static constexpr int phaseIdx(int brinePhaseIdx) { return liquidPhaseIdx; }
+ static constexpr int compIdx(int brineCompIdx) { return compMap[brineCompIdx]; }
+
+ private:
+ static constexpr std::array<int, Brine::numComponents> compMap{ {H2OIdx, NaClIdx} };
+ };
+
+ template<class FluidState>
+ using BrineAdapter = FluidStateAdapter<FluidState, BrineAdapterPolicy>;
+
+public:
+
+ /****************************************
+ * phase related static parameters
+ ****************************************/
/*!
* \brief Return the human readable name of a fluid phase
- *
* \param phaseIdx index of the phase
*/
static std::string phaseName(int phaseIdx)
{
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
switch (phaseIdx)
{
- case liquidPhaseIdx: return "liquid";
- case gasPhaseIdx: return "gas";
+ case liquidPhaseIdx: return Brine::phaseName(Brine::liquidPhaseIdx);
+ case gasPhaseIdx: return Air::name();
}
DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
@@ -126,19 +156,16 @@ public:
/*!
* \brief Return whether a phase is liquid
- *
* \param phaseIdx The index of the fluid phase to consider
*/
static bool isLiquid(int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
-
return phaseIdx != gasPhaseIdx;
}
/*!
* \brief Return whether a phase is gaseous
- *
* \param phaseIdx The index of the fluid phase to consider
*/
static constexpr bool isGas(int phaseIdx)
@@ -167,7 +194,6 @@ public:
// we assume Henry's and Raoult's laws for the water phase and
// and no interaction between gas molecules of different
// components, so all phases are ideal mixtures!
-
return true;
}
@@ -186,72 +212,90 @@ public:
// ideal gases are always compressible
if (phaseIdx == gasPhaseIdx)
return true;
- // the water component decides for the liquid phase...
- return H2O::liquidIsCompressible();
+ // let brine decide for the liquid phase...
+ return Brine::isCompressible(Brine::liquidPhaseIdx);
}
/*!
* \brief Returns true if and only if a fluid phase is assumed to
* be an ideal gas.
- *
* \param phaseIdx The index of the fluid phase to consider
*/
static bool isIdealGas(int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
-
// let the fluids decide
if (phaseIdx == gasPhaseIdx)
return H2O::gasIsIdeal() && Air::gasIsIdeal();
return false; // not a gas
}
+ /*!
+ * \brief Get the main component of a given phase if possible
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static constexpr int getMainComponent(int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ if (phaseIdx == liquidPhaseIdx)
+ return H2OIdx;
+ else
+ return AirIdx;
+ }
+
/****************************************
* Component related static parameters
****************************************/
/*!
* \brief Return the human readable name of a component
- *
* \param compIdx The index of the component to consider
*/
static std::string componentName(int compIdx)
{
+ assert(0 <= compIdx && compIdx < numComponents);
switch (compIdx)
{
- case H2OIdx: return H2O::name();
- case AirIdx: return Air::name();
- case NaClIdx:return "NaCl";
+ case H2OIdx: return H2O::name();
+ case AirIdx: return Air::name();
+ case NaClIdx: return NaCl::name();
}
DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);
}
/*!
* \brief Return the molar mass of a component in \f$\mathrm{[kg/mol]}\f$.
- *
* \param compIdx The index of the component to consider
*/
static Scalar molarMass(int compIdx)
{
+ assert(0 <= compIdx && compIdx < numComponents);
switch (compIdx)
{
- case H2OIdx: return H2O::molarMass();
- case AirIdx: return Air::molarMass();
- case NaClIdx:return NaCl::molarMass();
+ case H2OIdx: return H2O::molarMass();
+ case AirIdx: return Air::molarMass();
+ case NaClIdx: return NaCl::molarMass();
}
DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);
}
/*!
- * \brief Return the saturation vapor pressure of the liquid phase \f$\mathrm{[Pa]}\f$.
+ * \brief Vapor pressure of a component \f$\mathrm{[Pa]}\f$.
*
- * \param Temperature temperature of the liquid phase
- * \param salinity salinity (salt mass fraction) of the liquid phase
+ * \param fluidState The fluid state
+ * \param compIdx The index of the component to consider
*/
- static Scalar vaporPressure(Scalar temperature, Scalar salinity) //Vapor pressure dependence on Osmosis
- {
- return Brine::vaporPressure(temperature, salinity);
- }
-
+ template <class FluidState>
+ static Scalar vaporPressure(const FluidState& fluidState, int compIdx)
+ {
+ // The vapor pressure of the water is affected by the
+ // salinity, thus, we forward to the interface of Brine here
+ if (compIdx == H2OIdx)
+ return Brine::vaporPressure(BrineAdapter<FluidState>(fluidState), Brine::H2OIdx);
+ else if (compIdx == NaClIdx)
+ DUNE_THROW(Dune::NotImplemented, "NaCl::vaporPressure(t)");
+ else
+ DUNE_THROW(Dune::NotImplemented, "Invalid component index " << compIdx);
+ }
/****************************************
* thermodynamic relations
@@ -291,13 +335,9 @@ public:
std::cout << " - use ideal gas density: " << std::boolalpha << Policy::useIdealGasDensity() << std::endl;
if (H2O::isTabulated)
- {
- H2O::init(tempMin, tempMax, nTemp,
- pressMin, pressMax, nPress);
- }
+ H2O::init(tempMin, tempMax, nTemp, pressMin, pressMax, nPress);
}
- using Base::density;
/*!
* \brief Given a phase's composition, temperature, pressure, and
* the partial pressures of all components, return its
@@ -311,47 +351,43 @@ public:
* - cited by: Bachu & Adams (2002)
* "Equations of State for basin geofluids" \cite adams2002
*/
+ using Base::density;
template <class FluidState>
- static Scalar density(const FluidState &fluidState,
- int phaseIdx)
+ static Scalar density(const FluidState &fluidState, int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
- Scalar temperature = fluidState.temperature(phaseIdx);
- Scalar pressure = fluidState.pressure(phaseIdx);
+ const auto T = fluidState.temperature(phaseIdx);
+ const auto p = fluidState.pressure(phaseIdx);
- if (phaseIdx == phase0Idx){
+ if (phaseIdx == liquidPhaseIdx)
+ {
+ // assume pure brine
if (Policy::useBrineDensityAsLiquidMixtureDensity())
- // assume pure brine
- return Brine::liquidDensity(temperature,
- pressure,
- fluidState.massFraction(phase0Idx, NaClIdx));
+ return Brine::density(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx);
+
+ // assume one molecule of gas replaces one "brine" molecule
else
- {
- return Brine::liquidMolarDensity(temperature,
- pressure,
- fluidState.massFraction(phase0Idx, NaClIdx))
- * (Brine::molarMass()*fluidState.moleFraction(liquidPhaseIdx, H2OIdx)
- + Brine::molarMass()*fluidState.moleFraction(liquidPhaseIdx, NaClIdx)
- + Air::molarMass()*fluidState.moleFraction(liquidPhaseIdx, AirIdx));
- }
+ return Brine::molarDensity(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx)
+ *(H2O::molarMass()*fluidState.moleFraction(liquidPhaseIdx, H2OIdx)
+ + NaCl::molarMass()*fluidState.moleFraction(liquidPhaseIdx, NaClIdx)
+ + Air::molarMass()*fluidState.moleFraction(liquidPhaseIdx, AirIdx));
}
- else if (phaseIdx == phase1Idx){
- if (Policy::useIdealGasDensity())
+ else if (phaseIdx == phase1Idx)
+ {
// for the gas phase assume an ideal gas
- {
- const Scalar averageMolarMass = fluidState.averageMolarMass(phase1Idx);
- return IdealGas::density(averageMolarMass, temperature, pressure);
- }
+ if (Policy::useIdealGasDensity())
+ return IdealGas::density(fluidState.averageMolarMass(phase1Idx), T, p);
- return Brine::gasDensity(temperature, fluidState.partialPressure(phase1Idx, H2OIdx))
- + Air::gasDensity(temperature, fluidState.partialPressure(phase1Idx, AirIdx));
+ // if useComplexRelations = true, compute density. NaCl is assumed
+ // not to be present in gas phase, NaCl has only solid interfaces implemented
+ return H2O::gasDensity(T, fluidState.partialPressure(phase1Idx, H2OIdx))
+ + Air::gasDensity(T, fluidState.partialPressure(phase1Idx, AirIdx));
}
else
DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
- using Base::molarDensity;
/*!
* \brief The molar density \f$\rho_{mol,\alpha}\f$
* of a fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$
@@ -361,32 +397,29 @@ public:
*
* \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f]
*/
+ using Base::molarDensity;
template <class FluidState>
- static Scalar molarDensity(const FluidState &fluidState, int phaseIdx)
+ static Scalar molarDensity(const FluidState& fluidState, int phaseIdx)
{
- const Scalar temperature = fluidState.temperature(phaseIdx);
- const Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == liquidPhaseIdx)
- {
- // assume pure water or that each gas molecule displaces exactly one
- // molecule in the liquid.
- Scalar salinity = fluidState.massFraction(liquidPhaseIdx, NaClIdx);
- return Brine::liquidMolarDensity(temperature, pressure, salinity);
- }
+ return Brine::molarDensity(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx);
else if (phaseIdx == phase1Idx)
{
- if (Policy::useIdealGasDensity())
+ const Scalar T = fluidState.temperature(phaseIdx);
+
// for the gas phase assume an ideal gas
- { return IdealGas::molarDensity(temperature, pressure); }
+ if (Policy::useIdealGasDensity())
+ return IdealGas::molarDensity(T, fluidState.pressure(phaseIdx));
- return Brine::gasMolarDensity(temperature, fluidState.partialPressure(phase1Idx, H2OIdx))
- + Air::gasMolarDensity(temperature, fluidState.partialPressure(phase1Idx, AirIdx));
+ // if useComplexRelations = true, compute density. NaCl is assumed
+ // not to be present in gas phase, NaCl has only solid interfaces implemented
+ return H2O::gasMolarDensity(T, fluidState.partialPressure(phase1Idx, H2OIdx))
+ + Air::gasMolarDensity(T, fluidState.partialPressure(phase1Idx, AirIdx));
}
else
DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
- using Base::viscosity;
/*!
* \brief Calculate the dynamic viscosity of a fluid phase \f$\mathrm{[Pa*s]}\f$
*
@@ -397,34 +430,18 @@ public:
* component is neglected. This contribution is probably not big, but somebody
* would have to find out its influence.
*/
+ using Base::viscosity;
template <class FluidState>
- static Scalar viscosity(const FluidState &fluidState,
- int phaseIdx)
+ static Scalar viscosity(const FluidState& fluidState, int phaseIdx)
{
-
assert(0 <= phaseIdx && phaseIdx < numPhases);
- Scalar temperature = fluidState.temperature(phaseIdx);
- Scalar pressure = fluidState.pressure(phaseIdx);
- Scalar result = 0;
-
if (phaseIdx == liquidPhaseIdx)
- {
- Scalar XNaCl = fluidState.massFraction(liquidPhaseIdx, NaClIdx);
- result = Brine::liquidViscosity(temperature, pressure, XNaCl);
- }
- else if (phaseIdx == phase1Idx)
- {
- result = Air::gasViscosity(temperature, pressure);
- }
+ return Brine::viscosity(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx);
else
- DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
-
- Valgrind::CheckDefined(result);
- return result;
+ return Air::gasViscosity(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx));
}
- using Base::fugacityCoefficient;
/*!
* \brief Returns the fugacity coefficient \f$\mathrm{[-]}\f$ of a component in a
* phase.
@@ -446,34 +463,38 @@ public:
* Henry constant for the solutes and the saturated vapor pressure
* both divided by phase pressure.
*/
+ using Base::fugacityCoefficient;
template <class FluidState>
- static Scalar fugacityCoefficient(const FluidState &fluidState,
- int phaseIdx,
- int compIdx)
+ static Scalar fugacityCoefficient(const FluidState& fluidState, int phaseIdx, int compIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
assert(0 <= compIdx && compIdx < numComponents);
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
- assert(T > 0);
- assert(p > 0);
if (phaseIdx == gasPhaseIdx)
return 1.0;
- else if (phaseIdx == phase0Idx)
+ else if (phaseIdx == liquidPhaseIdx)
{
+ // TODO: Should we use the vapor pressure of the mixture (brine) here?
+ // The presence of NaCl lowers the vapor pressure, thus, we would
+ // expect the fugacity coefficient to be lower as well. However,
+ // with the fugacity coefficient being dependent on the salinity,
+ // the equation system for the phase equilibria becomes non-linear
+ // and our constraint solvers assume linear system of equations.
if (compIdx == H2OIdx)
return H2O::vaporPressure(T)/p;
else if (compIdx == AirIdx)
return BinaryCoeff::H2O_Air::henry(T)/p;
+ // we assume nacl always stays in the liquid phase
else
- return 1/p;
+ return 0.0;
}
- else
+
DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
@@ -486,7 +507,6 @@ public:
DUNE_THROW(Dune::NotImplemented, "Diffusion coefficients");
}
- using Base::binaryDiffusionCoefficient;
/*!
* \brief Given a phase's composition, temperature and pressure,
* return the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for components
@@ -497,8 +517,9 @@ public:
* \param compIIdx The index of the first component to consider
* \param compJIdx The index of the second component to consider
*/
+ using Base::binaryDiffusionCoefficient;
template <class FluidState>
- static Scalar binaryDiffusionCoefficient(const FluidState &fluidState,
+ static Scalar binaryDiffusionCoefficient(const FluidState& fluidState,
int phaseIdx,
int compIIdx,
int compJIdx)
@@ -507,46 +528,43 @@ public:
assert(0 <= compIIdx && compIIdx < numComponents);
assert(0 <= compJIdx && compJIdx < numComponents);
- Scalar temperature = fluidState.temperature(phaseIdx);
- Scalar pressure = fluidState.pressure(phaseIdx);
+ const auto T = fluidState.temperature(phaseIdx);
+ const auto p = fluidState.pressure(phaseIdx);
+
+ if (compIIdx > compJIdx)
+ std::swap(compIIdx, compJIdx);
- if (phaseIdx == liquidPhaseIdx) {
- Scalar result = 0.0;
- if(compJIdx == AirIdx)
- result = Brine_Air::liquidDiffCoeff(temperature, pressure);
- else if (compJIdx == NaClIdx)
- result = 0.12e-9; //http://webserver.dmt.upm.es/~isidoro/dat1/Mass%20diffusivity%20data.htm
+ if (phaseIdx == liquidPhaseIdx)
+ {
+ if(compIIdx == H2OIdx && compJIdx == AirIdx)
+ return H2O_Air::liquidDiffCoeff(T, p);
+ else if (compIIdx == H2OIdx && compJIdx == NaClIdx)
+ return Brine::binaryDiffusionCoefficient(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx, Brine::H2OIdx, Brine::NaClIdx);
else
DUNE_THROW(Dune::NotImplemented, "Binary diffusion coefficient of components "
<< compIIdx << " and " << compJIdx
<< " in phase " << phaseIdx);
- Valgrind::CheckDefined(result);
- return result;
}
- else {
- assert(phaseIdx == gasPhaseIdx);
-
- if (compIIdx != AirIdx)
- {
- using std::swap;
- swap(compIIdx, compJIdx);
- }
-
- Scalar result = 0.0;
- if(compJIdx == H2OIdx)
- result = Brine_Air::gasDiffCoeff(temperature, pressure);
- else if (compJIdx == NaClIdx)
- result = 0.12e-9; //Just added to avoid numerical problem. does not have any physical significance
+ else if (phaseIdx == gasPhaseIdx)
+ {
+ if (compIIdx == H2OIdx && compJIdx == AirIdx)
+ return H2O_Air::gasDiffCoeff(T, p);
+
+ // NaCl is expected to never be present in the gas phase. we need to
+ // return a diffusion coefficient that does not case numerical problems.
+ // We choose a very small value here.
+ else if (compIIdx == AirIdx && compJIdx == NaClIdx)
+ return 1e-12;
+
else
DUNE_THROW(Dune::NotImplemented, "Binary diffusion coefficient of components "
<< compIIdx << " and " << compJIdx
<< " in phase " << phaseIdx);
- Valgrind::CheckDefined(result);
- return result;
}
+
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
- using Base::enthalpy;
/*!
* \brief Given a phase's composition, temperature and pressure,
* return its specific enthalpy \f$\mathrm{[J/kg]}\f$.
@@ -566,9 +584,9 @@ public:
* is neglected. This contribution is probably not big. Somebody would have to
* find out the enthalpy of solution for this system. ...
*/
+ using Base::enthalpy;
template <class FluidState>
- static Scalar enthalpy(const FluidState &fluidState,
- int phaseIdx)
+ static Scalar enthalpy(const FluidState& fluidState, int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
@@ -576,14 +594,10 @@ public:
Scalar p = fluidState.pressure(phaseIdx);
if (phaseIdx == liquidPhaseIdx)
- {
- Scalar XlNaCl = fluidState.massFraction(phaseIdx, NaClIdx);
- Scalar result = Brine::liquidEnthalpy(T, p, XlNaCl);
- Valgrind::CheckDefined(result);
- return result;
- }
+ return Brine::enthalpy(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx);
else
{
+ // This assumes NaCl not to be present in the gas phase
Scalar XAir = fluidState.massFraction(gasPhaseIdx, AirIdx);
Scalar XH2O = fluidState.massFraction(gasPhaseIdx, H2OIdx);
@@ -602,9 +616,7 @@ public:
* \param componentIdx The index of the component
*/
template <class FluidState>
- static Scalar componentEnthalpy(const FluidState &fluidState,
- int phaseIdx,
- int componentIdx)
+ static Scalar componentEnthalpy(const FluidState& fluidState, int phaseIdx, int componentIdx)
{
Scalar T = fluidState.temperature(gasPhaseIdx);
Scalar p = fluidState.pressure(gasPhaseIdx);
@@ -612,91 +624,69 @@ public:
Valgrind::CheckDefined(p);
if (phaseIdx == liquidPhaseIdx)
- {
DUNE_THROW(Dune::NotImplemented, "The component enthalpies in the liquid phase are not implemented.");
- }
+
else if (phaseIdx == gasPhaseIdx)
{
- if (componentIdx == H2OIdx)
- {
+ if (componentIdx == H2OIdx)
return H2O::gasEnthalpy(T, p);
- }
else if (componentIdx == AirIdx)
- {
return Air::gasEnthalpy(T, p);
- }
+ else if (componentIdx == NaClIdx)
+ DUNE_THROW(Dune::InvalidStateException, "Implementation assumes NaCl not to be present in gas phase");
DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx);
}
DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
-
- using Base::thermalConductivity;
/*!
* \brief Thermal conductivity of a fluid phase \f$\mathrm{[W/(m K)]}\f$.
* \param fluidState An abitrary fluid state
* \param phaseIdx The index of the fluid phase to consider
*
- * \note For the thermal conductivity of the phases the contribution of the minor
- * component is neglected. This contribution is probably not big, but somebody
+ * \todo TODO: For the thermal conductivity of the air phase the contribution of the minor
+ * components is neglected. This contribution is probably not big, but somebody
* would have to find out its influence.
*/
+ using Base::thermalConductivity;
template <class FluidState>
- static Scalar thermalConductivity(const FluidState &fluidState,
- int phaseIdx)
+ static Scalar thermalConductivity(const FluidState& fluidState, int phaseIdx)
{
if (phaseIdx == liquidPhaseIdx)
- return H2O::liquidThermalConductivity(fluidState.temperature(phaseIdx),
- fluidState.pressure(phaseIdx));
- else // gas phase
- return Air::gasThermalConductivity(fluidState.temperature(phaseIdx),
- fluidState.pressure(phaseIdx));
+ return Brine::thermalConductivity(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx);
+ else if (phaseIdx == gasPhaseIdx)
+ return Air::gasThermalConductivity(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx));
+
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
}
- using Base::heatCapacity;
/*!
* \brief Specific isobaric heat capacity of a fluid phase.
* \f$\mathrm{[J/(kg*K)}\f$.
* \param fluidState An abitrary fluid state
* \param phaseIdx The index of the fluid phase to consider
*
- * \note The calculation of the isobaric heat capacity is preliminary. A better
- * description of the influence of the composition on the phase property
+ * \todo TODO: The calculation of the isobaric heat capacity is preliminary. A better
+ * description of the influence of the composition on the air phase property
* has to be found.
*/
+ using Base::heatCapacity;
template <class FluidState>
- static Scalar heatCapacity(const FluidState &fluidState,
- int phaseIdx)
+ static Scalar heatCapacity(const FluidState &fluidState, int phaseIdx)
{
- const Scalar temperature = fluidState.temperature(phaseIdx);
- const Scalar pressure = fluidState.pressure(phaseIdx);
+ const Scalar T = fluidState.temperature(phaseIdx);
+ const Scalar p = fluidState.pressure(phaseIdx);
+
if (phaseIdx == liquidPhaseIdx)
- {
- return H2O::liquidHeatCapacity(temperature, pressure);
- }
- else if (phaseIdx == gasPhaseIdx)
- {
- return Air::gasHeatCapacity(temperature, pressure) * fluidState.moleFraction(gasPhaseIdx, AirIdx)
- + H2O::gasHeatCapacity(temperature, pressure) * fluidState.moleFraction(gasPhaseIdx, H2OIdx);
- }
- else
- DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
- }
+ return Brine::heatCapacity(BrineAdapter<FluidState>(fluidState), Brine::liquidPhaseIdx);
- /*!
- * \brief Return the molality of NaCl \f$\mathrm{[mol/m^3]}\f$.
- * \param fluidState An abitrary fluid state
- * \param paramCache parameter cache
- * \param salinity Salinity of brine
- */
- template <class FluidState>
- static Scalar molalityNaCl(const FluidState &fluidState,
- const ParameterCache ¶mCache,
- Scalar salinity)
- {
- return Brine_Air::molalityNaCl(salinity);
- }
+ // We assume NaCl not to be present in the gas phase here
+ else if (phaseIdx == gasPhaseIdx)
+ return Air::gasHeatCapacity(T, p)*fluidState.moleFraction(gasPhaseIdx, AirIdx)
+ + H2O::gasHeatCapacity(T, p)*fluidState.moleFraction(gasPhaseIdx, H2OIdx);
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
+ }
};
} // end namespace FluidSystems
diff --git a/test/material/fluidsystems/checkfluidsystem.hh b/test/material/fluidsystems/checkfluidsystem.hh
index dff2e241e41f8c1050c20b479608190050254215..7f8bb33017709a33b278681af3dce6b0279593f3 100644
--- a/test/material/fluidsystems/checkfluidsystem.hh
+++ b/test/material/fluidsystems/checkfluidsystem.hh
@@ -64,18 +64,15 @@ namespace Dumux
/*! \brief This fluid state ensures that only the allowed quantities
* are accessed
*/
-template<class Scalar, class FluidSystem, class BaseFluidState = CompositionalFluidState<Scalar, FluidSystem> >
+template<class ScalarType, class FluidSystem, class BaseFluidState = CompositionalFluidState<ScalarType, FluidSystem> >
class HairSplittingFluidState: protected BaseFluidState
{
public:
- enum
- {
- numPhases = FluidSystem::numPhases
- };
- enum
- {
- numComponents = FluidSystem::numComponents
- };
+ //! export the type used for scalars
+ using typename BaseFluidState::Scalar;
+
+ static constexpr int numPhases = FluidSystem::numPhases;
+ static constexpr int numComponents = FluidSystem::numComponents;
HairSplittingFluidState()
{
diff --git a/test/material/fluidsystems/test_fluidsystems.cc b/test/material/fluidsystems/test_fluidsystems.cc
index 469a983cc3712fae9a35b1a5128843525936dad3..3c514c2e14fbd24dff71d93a81fadc338675027d 100644
--- a/test/material/fluidsystems/test_fluidsystems.cc
+++ b/test/material/fluidsystems/test_fluidsystems.cc
@@ -29,6 +29,7 @@
// include all fluid systems in dumux-stable
#include <dumux/material/fluidsystems/2pimmiscible.hh>
#include <dumux/material/fluidsystems/base.hh>
+#include <dumux/material/fluidsystems/brine.hh>
#include <dumux/material/fluidsystems/brineair.hh>
#include <dumux/material/fluidsystems/brineco2.hh>
#include <dumux/material/fluidsystems/1pgas.hh>
@@ -104,15 +105,15 @@ int main()
success += checkFluidState<Scalar>(nonEquilibriumMassFluidState);
// PressureOverlayFluidState
- PressureOverlayFluidState<Scalar, BaseFluidState> pressureOverlayFluidState(baseFs);
+ PressureOverlayFluidState<BaseFluidState> pressureOverlayFluidState(baseFs);
success += checkFluidState<Scalar>(pressureOverlayFluidState);
// SaturationOverlayFluidState
- SaturationOverlayFluidState<Scalar, BaseFluidState> saturationOverlayFluidState(baseFs);
+ SaturationOverlayFluidState<BaseFluidState> saturationOverlayFluidState(baseFs);
success += checkFluidState<Scalar>(saturationOverlayFluidState);
// TemperatureOverlayFluidState
- TemperatureOverlayFluidState<Scalar, BaseFluidState> temperatureOverlayFluidState(baseFs);
+ TemperatureOverlayFluidState<BaseFluidState> temperatureOverlayFluidState(baseFs);
success += checkFluidState<Scalar>(temperatureOverlayFluidState);
}
@@ -130,6 +131,11 @@ int main()
// base
+ // Brine
+ { using H2OType = Components::SimpleH2O<Scalar>;
+ using FluidSystem = FluidSystems::Brine<Scalar, H2OType>;
+ success += checkFluidSystem<Scalar, FluidSystem>(); }
+
// Brine -- Air
{ using H2OType = Components::SimpleH2O<Scalar>;
using FluidSystem = FluidSystems::BrineAir<Scalar, H2OType, FluidSystems::BrineAirDefaultPolicy</*fastButSimplifiedRelations=*/true>>;
diff --git a/test/porousmediumflow/1pnc/implicit/CMakeLists.txt b/test/porousmediumflow/1pnc/implicit/CMakeLists.txt
index 3d36101c63320b6329ec3fb2039eb6dc73728a5b..96af0283d3e88d18ab8863d0d80244f958aa9068 100644
--- a/test/porousmediumflow/1pnc/implicit/CMakeLists.txt
+++ b/test/porousmediumflow/1pnc/implicit/CMakeLists.txt
@@ -31,6 +31,16 @@ dune_add_test(NAME test_1p2c_mpfa
${CMAKE_CURRENT_BINARY_DIR}/1pnctest_mpfa-00009.vtu
--command "${CMAKE_CURRENT_BINARY_DIR}/test_1p2c_mpfa test_1p2c_fv.input -Problem.Name 1pnctest_mpfa -Vtk.AddVelocity false")
+# salt-water intrusion test using the box model
+dune_add_test(NAME test_saltwaterintrusion_box
+ SOURCES test_1p2c_fv.cc
+ COMPILE_DEFINITIONS TYPETAG=SaltWaterIntrusionTestTypeTag
+ COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py
+ CMD_ARGS --script fuzzy
+ --files ${CMAKE_SOURCE_DIR}/test/references/saltwaterintrusion-reference.vtu
+ ${CMAKE_CURRENT_BINARY_DIR}/saltwaterintrusion-00035.vtu
+ --command "${CMAKE_CURRENT_BINARY_DIR}/test_saltwaterintrusion_box saltwaterintrusion.input")
+
# non-isothermal tests
# conduction
dune_add_test(NAME test_1p2cni_conduction_box
diff --git a/test/porousmediumflow/1pnc/implicit/saltwaterintrusion.input b/test/porousmediumflow/1pnc/implicit/saltwaterintrusion.input
new file mode 100644
index 0000000000000000000000000000000000000000..51676dbf2395118db4e79848abf0b8d9b17c7bda
--- /dev/null
+++ b/test/porousmediumflow/1pnc/implicit/saltwaterintrusion.input
@@ -0,0 +1,15 @@
+[TimeLoop]
+DtInitial = 1 # [s]
+TEnd = 10000000 # [s]
+
+[Grid]
+LowerLeft = 0 0
+UpperRight = 200 50
+Cells = 20 5
+
+[Problem]
+Name = saltwaterintrusion # name passed to the output routines
+EnableGravity = true # enable gravity
+
+[Vtk]
+AddVelocity = true # enable velocity output
diff --git a/test/porousmediumflow/1pnc/implicit/saltwaterintrusionproblem.hh b/test/porousmediumflow/1pnc/implicit/saltwaterintrusionproblem.hh
new file mode 100644
index 0000000000000000000000000000000000000000..754486f0a473d5bf8456b703db8807f441498c45
--- /dev/null
+++ b/test/porousmediumflow/1pnc/implicit/saltwaterintrusionproblem.hh
@@ -0,0 +1,178 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/**
+ * \file
+ * \ingroup OnePNCTests
+ * \brief Definition of a problem involving salt
+ * water intrusion into a fresh water aquifer.
+ */
+#ifndef DUMUX_SALTWATERINTRUSION_TEST_PROBLEM_HH
+#define DUMUX_SALTWATERINTRUSION_TEST_PROBLEM_HH
+
+#include <dumux/discretization/box/properties.hh>
+#include <dumux/porousmediumflow/1pnc/model.hh>
+#include <dumux/porousmediumflow/problem.hh>
+
+#include <dumux/material/fluidsystems/brine.hh>
+#include "1pnctestspatialparams.hh"
+
+namespace Dumux {
+
+template <class TypeTag>
+class SaltWaterIntrusionTestProblem;
+
+namespace Properties {
+NEW_TYPE_TAG(SaltWaterIntrusionTestTypeTag, INHERITS_FROM(BoxModel, OnePNC));
+
+// Use a structured yasp grid
+SET_TYPE_PROP(SaltWaterIntrusionTestTypeTag, Grid, Dune::YaspGrid<2>);
+
+// Set the problem property
+SET_TYPE_PROP(SaltWaterIntrusionTestTypeTag, Problem, SaltWaterIntrusionTestProblem<TypeTag>);
+
+// Set fluid configuration
+SET_TYPE_PROP(SaltWaterIntrusionTestTypeTag,
+ FluidSystem,
+ FluidSystems::Brine< typename GET_PROP_TYPE(TypeTag, Scalar) >);
+
+// Set the spatial parameters
+SET_TYPE_PROP(SaltWaterIntrusionTestTypeTag, SpatialParams, OnePNCTestSpatialParams<TypeTag>);
+
+// Use mass fractions to set salinity conveniently
+SET_BOOL_PROP(SaltWaterIntrusionTestTypeTag, UseMoles, false);
+
+} // end namespace Properties
+
+/*!
+ * \ingroup OnePNCTests
+ * \brief Definition of a problem involving salt water intrusion into a
+ * fresh water aquifer. The aquifer is in contact with salt water
+ * with a salinity of 0.03 on the right boundary.
+ * \note To run the simulation execute the following line in shell:
+ * <tt>./test_saltwaterintrusion -parameterFile saltwaterintrusion.input</tt> or
+ */
+template <class TypeTag>
+class SaltWaterIntrusionTestProblem : public PorousMediumFlowProblem<TypeTag>
+{
+ using ParentType = PorousMediumFlowProblem<TypeTag>;
+
+ using Scalar = typename GET_PROP_TYPE(TypeTag, Scalar);
+ using Indices = typename GET_PROP_TYPE(TypeTag, ModelTraits)::Indices;
+ using GridView = typename GET_PROP_TYPE(TypeTag, GridView);
+ using Element = typename GridView::template Codim<0>::Entity;
+ using GlobalPosition = typename Element::Geometry::GlobalCoordinate;
+ using FluidSystem = typename GET_PROP_TYPE(TypeTag, FluidSystem);
+ using BoundaryTypes = typename GET_PROP_TYPE(TypeTag, BoundaryTypes);
+ using PrimaryVariables = typename GET_PROP_TYPE(TypeTag, PrimaryVariables);
+ using FVGridGeometry = typename GET_PROP_TYPE(TypeTag, FVGridGeometry);
+
+ // copy pressure index for convenience
+ enum { pressureIdx = Indices::pressureIdx };
+
+ //! The test is defined using mass fractions
+ static_assert(!GET_PROP_VALUE(TypeTag, UseMoles), "This test uses mass fractions!");
+
+public:
+ SaltWaterIntrusionTestProblem(std::shared_ptr<const FVGridGeometry> fvGridGeometry)
+ : ParentType(fvGridGeometry)
+ {
+ //initialize fluid system
+ FluidSystem::init();
+ }
+
+ /*!
+ * \name Problem parameters
+ */
+ // \{
+
+ /*!
+ * \brief Returns the temperature within the domain [K].
+ * This problem assumes a temperature of 20 degrees Celsius.
+ */
+ Scalar temperature() const
+ { return 273.15 + 20; } // in [K]
+
+ // \}
+
+ /*!
+ * \name Boundary conditions
+ */
+ // \{
+
+ /*!
+ * \brief Specifies which kind of boundary condition should be
+ * used for which equation on a given boundary segment.
+ * \param globalPos The position for which the bc type should be evaluated
+ */
+ BoundaryTypes boundaryTypesAtPos(const GlobalPosition& globalPos) const
+ {
+ BoundaryTypes values;
+ values.setAllNeumann();
+
+ // use Dirichlet BCs on the left and right boundary
+ if(globalPos[0] < eps_ || globalPos[0] > this->fvGridGeometry().bBoxMax()[0] - eps_)
+ values.setAllDirichlet();
+
+ return values;
+ }
+
+ /*!
+ * \brief Evaluate the boundary conditions for a dirichlet boundary segment.
+ * \param globalPos The position for which the bc type should be evaluated
+ */
+ PrimaryVariables dirichletAtPos(const GlobalPosition& globalPos) const
+ {
+ PrimaryVariables values = initialAtPos(globalPos);
+
+ // salt water is in contact on the right boundary
+ if (globalPos[0] > this->fvGridGeometry().bBoxMax()[0] - eps_)
+ values[FluidSystem::NaClIdx] = 0.03;
+
+ return values;
+ }
+
+ // \}
+
+ /*!
+ * \name Volume terms
+ */
+ // \{
+
+ /*!
+ * \brief Evaluate the initial value for a control volume.
+ * \param globalPos The position for which the initial condition should be evaluated
+ */
+ PrimaryVariables initialAtPos(const GlobalPosition& globalPos) const
+ {
+ const Scalar depth = this->fvGridGeometry().bBoxMax()[1] - globalPos[1];
+ PrimaryVariables priVars;
+ priVars[pressureIdx] = 1e5 + depth*9.81*1000; // hydrostatic pressure (assume rho_water = 1000.0)
+ priVars[FluidSystem::NaClIdx] = 0.0; // initially only fresh water is present
+ return priVars;
+ }
+
+ // \}
+
+private:
+ static constexpr Scalar eps_ = 1e-6;
+};
+
+} //end namespace Dumux
+
+#endif
diff --git a/test/porousmediumflow/1pnc/implicit/test_1p2c_fv.cc b/test/porousmediumflow/1pnc/implicit/test_1p2c_fv.cc
index 86133ee13d6ea3cf46a160c0f156baf15f4039e5..9d795a197585ee7d9ab56bcceea73036fa8b8051 100644
--- a/test/porousmediumflow/1pnc/implicit/test_1p2c_fv.cc
+++ b/test/porousmediumflow/1pnc/implicit/test_1p2c_fv.cc
@@ -24,6 +24,7 @@
#include <config.h>
#include "1p2ctestproblem.hh"
+#include "saltwaterintrusionproblem.hh"
#include <ctime>
#include <iostream>
diff --git a/test/references/saltflushbox2pncmin-reference.vtu b/test/references/saltflushbox2pncmin-reference.vtu
index d39e5de0d1f26c1e47a19765e8f25923d73f1790..dca33e83d23032f6c90cd7e04654b975ccfff19a 100644
--- a/test/references/saltflushbox2pncmin-reference.vtu
+++ b/test/references/saltflushbox2pncmin-reference.vtu
@@ -2,424 +2,424 @@
<VTKFile type="UnstructuredGrid" version="0.1" byte_order="LittleEndian">
<UnstructuredGrid>
<Piece NumberOfCells="200" NumberOfPoints="231">
- <PointData Scalars="porosity" Vectors="velocity_liquid (m/s)">
+ <PointData Scalars="porosity" Vectors="velocity_brine (m/s)">
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diff --git a/test/references/saltflushtpfa2pncmin-reference.vtu b/test/references/saltflushtpfa2pncmin-reference.vtu
index 8e947f34a0b31a380772f3deeae6f8ca9c3bc524..154b85435457a0bd3795f7cac8712255333f01ac 100644
--- a/test/references/saltflushtpfa2pncmin-reference.vtu
+++ b/test/references/saltflushtpfa2pncmin-reference.vtu
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diff --git a/test/references/saltwaterintrusion-reference.vtu b/test/references/saltwaterintrusion-reference.vtu
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