99a61df00a
conceptually, this may not be the purest conceivable solution, but it is the most practical one.
557 lines
20 KiB
C++
557 lines
20 KiB
C++
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
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// vi: set et ts=4 sw=4 sts=4:
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/*
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Copyright (C) 2009-2013 by Andreas Lauser
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This file is part of the Open Porous Media project (OPM).
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OPM is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 2 of the License, or
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(at your option) any later version.
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OPM is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with OPM. If not, see <http://www.gnu.org/licenses/>.
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*/
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/*!
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* \file
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* \copydoc Opm::FluidSystems::H2ON2
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*/
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#ifndef OPM_H2O_N2_FLUID_SYSTEM_HPP
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#define OPM_H2O_N2_FLUID_SYSTEM_HPP
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#include "BaseFluidSystem.hpp"
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#include "NullParameterCache.hpp"
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#include <opm/material/IdealGas.hpp>
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#include <opm/material/components/N2.hpp>
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#include <opm/material/components/H2O.hpp>
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#include <opm/material/components/SimpleH2O.hpp>
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#include <opm/material/components/TabulatedComponent.hpp>
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#include <opm/material/binarycoefficients/H2O_N2.hpp>
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#include <opm/material/common/Valgrind.hpp>
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#include <opm/material/common/Exceptions.hpp>
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#include <opm/material/common/ErrorMacros.hpp>
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#include <iostream>
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#include <cassert>
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namespace Opm {
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namespace FluidSystems {
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/*!
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* \ingroup Fluidsystems
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*
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* \brief A two-phase fluid system with water and nitrogen as components.
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*/
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template <class Scalar, bool useComplexRelations = true>
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class H2ON2
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: public BaseFluidSystem<Scalar, H2ON2<Scalar, useComplexRelations> >
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{
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typedef H2ON2<Scalar, useComplexRelations> ThisType;
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typedef BaseFluidSystem<Scalar, ThisType> Base;
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// convenience typedefs
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typedef Opm::IdealGas<Scalar> IdealGas;
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typedef Opm::H2O<Scalar> IapwsH2O;
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typedef Opm::TabulatedComponent<Scalar, IapwsH2O > TabulatedH2O;
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typedef Opm::N2<Scalar> SimpleN2;
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public:
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//! \copydoc BaseFluidSystem::ParameterCache
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typedef NullParameterCache ParameterCache;
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/****************************************
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* Fluid phase related static parameters
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****************************************/
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//! \copydoc BaseFluidSystem::numPhases
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static const int numPhases = 2;
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//! Index of the liquid phase
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static const int liquidPhaseIdx = 0;
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//! Index of the gas phase
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static const int gasPhaseIdx = 1;
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//! \copydoc BaseFluidSystem::phaseName
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static const char *phaseName(int phaseIdx)
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{
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static const char *name[] = {
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"liquid",
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"gas"
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};
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assert(0 <= phaseIdx && phaseIdx < numPhases);
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return name[phaseIdx];
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}
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//! \copydoc BaseFluidSystem::isLiquid
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static bool isLiquid(int phaseIdx)
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{
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//assert(0 <= phaseIdx && phaseIdx < numPhases);
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return phaseIdx != gasPhaseIdx;
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}
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//! \copydoc BaseFluidSystem::isCompressible
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static bool isCompressible(int phaseIdx)
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{
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//assert(0 <= phaseIdx && phaseIdx < numPhases);
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// gases are always compressible
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return
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(phaseIdx == gasPhaseIdx)
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? true
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:H2O::liquidIsCompressible();// the water component decides for the liquid phase...
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}
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//! \copydoc BaseFluidSystem::isIdealGas
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static bool isIdealGas(int phaseIdx)
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{
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//assert(0 <= phaseIdx && phaseIdx < numPhases);
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return
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(phaseIdx == gasPhaseIdx)
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? H2O::gasIsIdeal() && N2::gasIsIdeal() // let the components decide
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: false; // not a gas
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}
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//! \copydoc BaseFluidSystem::isIdealMixture
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static bool isIdealMixture(int phaseIdx)
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{
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//assert(0 <= phaseIdx && phaseIdx < numPhases);
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// we assume Henry's and Rault's laws for the water phase and
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// and no interaction between gas molecules of different
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// components, so all phases are ideal mixtures!
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return true;
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}
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/****************************************
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* Component related static parameters
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****************************************/
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//! \copydoc BaseFluidSystem::numComponents
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static const int numComponents = 2;
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//! The component index of water
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static const int H2OIdx = 0;
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//! The component index of molecular nitrogen
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static const int N2Idx = 1;
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//! The component for pure water
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typedef TabulatedH2O H2O;
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//typedef SimpleH2O H2O;
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//typedef IapwsH2O H2O;
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//! The component for pure nitrogen
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typedef SimpleN2 N2;
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//! \copydoc BaseFluidSystem::componentName
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static const char *componentName(int compIdx)
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{
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static const char *name[] = {
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H2O::name(),
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N2::name()
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};
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assert(0 <= compIdx && compIdx < numComponents);
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return name[compIdx];
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}
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//! \copydoc BaseFluidSystem::molarMass
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static Scalar molarMass(int compIdx)
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{
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//assert(0 <= compIdx && compIdx < numComponents);
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return (compIdx == H2OIdx)
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? H2O::molarMass()
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: (compIdx == N2Idx)
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? N2::molarMass()
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: 1e100;
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}
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/*!
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* \brief Critical temperature of a component [K].
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*
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* \copydetails Doxygen::compIdxParam
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*/
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static Scalar criticalTemperature(int compIdx)
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{
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return (compIdx == H2OIdx)
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? H2O::criticalTemperature()
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: (compIdx == N2Idx)
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? N2::criticalTemperature()
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: 1e100;
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}
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/*!
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* \brief Critical pressure of a component [Pa].
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*
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* \copydetails Doxygen::compIdxParam
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*/
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static Scalar criticalPressure(int compIdx)
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{
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return (compIdx == H2OIdx)
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? H2O::criticalPressure()
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: (compIdx == N2Idx)
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? N2::criticalPressure()
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: 1e100;
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}
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/*!
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* \brief The acentric factor of a component [].
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*
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* \copydetails Doxygen::compIdxParam
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*/
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static Scalar acentricFactor(int compIdx)
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{
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return (compIdx == H2OIdx)
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? H2O::acentricFactor()
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: (compIdx == N2Idx)
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? N2::acentricFactor()
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: 1e100;
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}
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/****************************************
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* thermodynamic relations
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****************************************/
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/*!
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* \copydoc BaseFluidSystem::init
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*
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* If a tabulated H2O component is used, we do our best to create
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* tables that always work.
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*/
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static void init()
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{
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init(/*tempMin=*/273.15,
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/*tempMax=*/623.15,
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/*numTemp=*/100,
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/*pMin=*/0.0,
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/*pMax=*/20e6,
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/*numP=*/200);
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}
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/*!
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* \brief Initialize the fluid system's static parameters using
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* problem specific temperature and pressure ranges
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*
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* \param tempMin The minimum temperature used for tabulation of water [K]
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* \param tempMax The maximum temperature used for tabulation of water [K]
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* \param nTemp The number of ticks on the temperature axis of the table of water
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* \param pressMin The minimum pressure used for tabulation of water [Pa]
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* \param pressMax The maximum pressure used for tabulation of water [Pa]
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* \param nPress The number of ticks on the pressure axis of the table of water
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*/
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static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp,
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Scalar pressMin, Scalar pressMax, unsigned nPress)
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{
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if (H2O::isTabulated) {
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TabulatedH2O::init(tempMin, tempMax, nTemp,
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pressMin, pressMax, nPress);
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}
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}
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/*!
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* \copydoc BaseFluidSystem::density
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*
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* If useComplexRelations == true, we apply Formula (2.6) from S.O.Ochs: "Development
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* of a multiphase multicomponent model for PEMFC - Technical report: IRTG-NUPUS",
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* University of Stuttgart, 2008
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*/
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval density(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx)
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{
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assert(0 <= phaseIdx && phaseIdx < numPhases);
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typedef Opm::MathToolbox<LhsEval> LhsToolbox;
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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LhsEval sumMoleFrac = 0;
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for (int compIdx = 0; compIdx < numComponents; ++compIdx)
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sumMoleFrac += FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
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// liquid phase
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if (phaseIdx == liquidPhaseIdx) {
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if (!useComplexRelations)
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// assume pure water
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return H2O::liquidDensity(T, p);
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else
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{
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// See: Ochs 2008
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const auto& rholH2O = H2O::liquidDensity(T, p);
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const auto& clH2O = rholH2O/H2O::molarMass();
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const auto& xlH2O = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(liquidPhaseIdx, H2OIdx));
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const auto& xlN2 = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(liquidPhaseIdx, N2Idx));
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// this assumes each nitrogen molecule displaces exactly one
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// water molecule in the liquid
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return clH2O*(H2O::molarMass()*xlH2O + N2::molarMass()*xlN2)/sumMoleFrac;
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}
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}
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// gas phase
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assert(phaseIdx == gasPhaseIdx);
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if (!useComplexRelations)
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// for the gas phase assume an ideal gas
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return
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IdealGas::molarDensity(T, p)
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* FsToolbox::template toLhs<LhsEval>(fluidState.averageMolarMass(gasPhaseIdx))
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/ LhsToolbox::max(1e-5, sumMoleFrac);
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// assume ideal mixture: steam and nitrogen don't "see" each
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// other
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const auto& xgH2O = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(gasPhaseIdx, H2OIdx));
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const auto& xgN2 = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(gasPhaseIdx, N2Idx));
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const auto& rho_gH2O = H2O::gasDensity(T, p*xgH2O);
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const auto& rho_gN2 = N2::gasDensity(T, p*xgN2);
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return (rho_gH2O + rho_gN2)/LhsToolbox::max(1e-5, sumMoleFrac);
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}
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//! \copydoc BaseFluidSystem::viscosity
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval viscosity(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx)
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{
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assert(0 <= phaseIdx && phaseIdx < numPhases);
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typedef Opm::MathToolbox<LhsEval> LhsToolbox;
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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// liquid phase
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if (phaseIdx == liquidPhaseIdx)
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// assume pure water for the liquid phase
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return H2O::liquidViscosity(T, p);
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// gas phase
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assert(phaseIdx == gasPhaseIdx);
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if (!useComplexRelations)
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// assume pure nitrogen for the gas phase
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return N2::gasViscosity(T, p);
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else {
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/* Wilke method. See:
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*
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* See: R. Reid, et al.: The Properties of Gases and Liquids,
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* 4th edition, McGraw-Hill, 1987, 407-410
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* 5th edition, McGraw-Hill, 20001, p. 9.21/22
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*/
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LhsEval muResult = 0;
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const LhsEval mu[numComponents] = {
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H2O::gasViscosity(T, H2O::vaporPressure(T)),
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N2::gasViscosity(T, p)
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};
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LhsEval sumx = 0.0;
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for (int compIdx = 0; compIdx < numComponents; ++compIdx)
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sumx += FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
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sumx = LhsToolbox::max(1e-10, sumx);
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for (int i = 0; i < numComponents; ++i) {
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LhsEval divisor = 0;
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for (int j = 0; j < numComponents; ++j) {
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LhsEval phiIJ = 1 + LhsToolbox::sqrt(mu[i]/mu[j]) * std::pow(molarMass(j)/molarMass(i), 1/4.0);
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phiIJ *= phiIJ;
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phiIJ /= std::sqrt(8*(1 + molarMass(i)/molarMass(j)));
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divisor +=
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FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, j))
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/sumx*phiIJ;
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}
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muResult +=
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FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, i))
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/sumx*mu[i]/divisor;
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}
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return muResult;
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}
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}
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//! \copydoc BaseFluidSystem::fugacityCoefficient
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval fugacityCoefficient(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx,
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int compIdx)
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{
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assert(0 <= phaseIdx && phaseIdx < numPhases);
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assert(0 <= compIdx && compIdx < numComponents);
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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// liquid phase
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if (phaseIdx == liquidPhaseIdx) {
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if (compIdx == H2OIdx)
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return H2O::vaporPressure(T)/p;
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return Opm::BinaryCoeff::H2O_N2::henry(T)/p;
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}
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assert(phaseIdx == gasPhaseIdx);
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// for the gas phase, assume an ideal gas when it comes to
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// fugacity (-> fugacity == partial pressure)
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return 1.0;
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}
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//! \copydoc BaseFluidSystem::diffusionCoefficient
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval diffusionCoefficient(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx,
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int compIdx)
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{
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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// liquid phase
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if (phaseIdx == liquidPhaseIdx)
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return BinaryCoeff::H2O_N2::liquidDiffCoeff(T, p);
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// gas phase
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assert(phaseIdx == gasPhaseIdx);
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return BinaryCoeff::H2O_N2::gasDiffCoeff(T, p);
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}
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//! \copydoc BaseFluidSystem::enthalpy
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval enthalpy(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx)
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{
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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Valgrind::CheckDefined(T);
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Valgrind::CheckDefined(p);
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// liquid phase
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if (phaseIdx == liquidPhaseIdx) {
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// TODO: correct way to deal with the solutes???
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return H2O::liquidEnthalpy(T, p);
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}
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// gas phase
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assert(phaseIdx == gasPhaseIdx);
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// assume ideal mixture: Molecules of one component don't
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// "see" the molecules of the other component, which means
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// that the total specific enthalpy is the sum of the
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// "partial specific enthalpies" of the components.
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const auto& XgH2O = FsToolbox::template toLhs<LhsEval>(fluidState.massFraction(gasPhaseIdx, H2OIdx));
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const auto& XgN2 = FsToolbox::template toLhs<LhsEval>(fluidState.massFraction(gasPhaseIdx, N2Idx));
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LhsEval hH2O = XgH2O*H2O::gasEnthalpy(T, p);
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LhsEval hN2 = XgN2*N2::gasEnthalpy(T, p);
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return hH2O + hN2;
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}
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//! \copydoc BaseFluidSystem::thermalConductivity
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval thermalConductivity(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx)
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{
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assert(0 <= phaseIdx && phaseIdx < numPhases);
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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if (phaseIdx == liquidPhaseIdx) // liquid phase
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return H2O::liquidThermalConductivity(T, p);
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// gas phase
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assert(phaseIdx == gasPhaseIdx);
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if (useComplexRelations){
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// return the sum of the partial conductivity of Nitrogen and Steam
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const auto& xH2O = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, H2OIdx));
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const auto& xN2 = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, N2Idx));
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// Assuming Raoult's, Daltons law and ideal gas in order to obtain the
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// partial pressures in the gas phase
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const auto& lambdaN2 = N2::gasThermalConductivity(T, p*xN2);
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const auto& lambdaH2O = H2O::gasThermalConductivity(T, p*xH2O);
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|
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return lambdaN2 + lambdaH2O;
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}
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else
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// return the conductivity of dry Nitrogen
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return N2::gasThermalConductivity(T, p);
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}
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//! \copydoc BaseFluidSystem::heatCapacity
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template <class FluidState, class LhsEval = typename FluidState::Scalar>
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static LhsEval heatCapacity(const FluidState &fluidState,
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const ParameterCache ¶mCache,
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int phaseIdx)
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|
{
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typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
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|
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const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
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const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
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const auto& xAlphaH2O = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, H2OIdx));
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const auto& xAlphaN2 = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, N2Idx));
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|
const auto& XAlphaH2O = FsToolbox::template toLhs<LhsEval>(fluidState.massFraction(phaseIdx, H2OIdx));
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|
const auto& XAlphaN2 = FsToolbox::template toLhs<LhsEval>(fluidState.massFraction(phaseIdx, N2Idx));
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|
|
|
if (phaseIdx == liquidPhaseIdx)
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|
return H2O::liquidHeatCapacity(T, p);
|
|
|
|
assert(phaseIdx == gasPhaseIdx);
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|
|
|
// for the gas phase, assume ideal mixture, i.e. molecules of
|
|
// one component don't "see" the molecules of the other
|
|
// component
|
|
LhsEval c_pN2;
|
|
LhsEval c_pH2O;
|
|
// let the water and nitrogen components do things their own way
|
|
if (useComplexRelations) {
|
|
c_pN2 = N2::gasHeatCapacity(T, p*xAlphaN2);
|
|
c_pH2O = H2O::gasHeatCapacity(T, p*xAlphaH2O);
|
|
}
|
|
else {
|
|
// assume an ideal gas for both components. See:
|
|
//
|
|
// http://en.wikipedia.org/wiki/Heat_capacity
|
|
Scalar c_vN2molar = Opm::Constants<Scalar>::R*2.39;
|
|
Scalar c_pN2molar = Opm::Constants<Scalar>::R + c_vN2molar;
|
|
|
|
Scalar c_vH2Omolar = Opm::Constants<Scalar>::R*3.37; // <- correct??
|
|
Scalar c_pH2Omolar = Opm::Constants<Scalar>::R + c_vH2Omolar;
|
|
|
|
c_pN2 = c_pN2molar/molarMass(N2Idx);
|
|
c_pH2O = c_pH2Omolar/molarMass(H2OIdx);
|
|
}
|
|
|
|
// mingle both components together. this assumes that there is no "cross
|
|
// interaction" between both flavors of molecules.
|
|
return XAlphaH2O*c_pH2O + XAlphaN2*c_pN2;
|
|
}
|
|
};
|
|
|
|
} // namespace FluidSystems
|
|
|
|
} // namespace Opm
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|
|
|
#endif
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