9a1a41be47
mostly removing the twophaselflag_, which is not used anywhere. not functionality changes.
373 lines
12 KiB
C++
373 lines
12 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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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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Consult the COPYING file in the top-level source directory of this
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module for the precise wording of the license and the list of
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copyright holders.
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*/
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/*!
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* \file
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*
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* \brief Modules for the ModularFluidState which represent composition.
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*/
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#ifndef OPM_FLUID_STATE_COMPOSITION_MODULES_HPP
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#define OPM_FLUID_STATE_COMPOSITION_MODULES_HPP
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#include <opm/material/common/Valgrind.hpp>
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#include <opm/material/common/MathToolbox.hpp>
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#include <algorithm>
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#include <array>
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#include <cmath>
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namespace Opm {
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/*!
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* \brief Module for the modular fluid state which stores the
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* phase compositions explicitly in terms of mole fractions.
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*/
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template <class Scalar,
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class FluidSystem,
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class Implementation>
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class FluidStateExplicitCompositionModule
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{
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enum { numPhases = FluidSystem::numPhases };
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enum { numComponents = FluidSystem::numComponents };
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public:
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FluidStateExplicitCompositionModule()
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{
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for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
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for (int compIdx = 0; compIdx < numComponents; ++compIdx)
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moleFraction_[phaseIdx][compIdx] = 0.0;
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Valgrind::SetDefined(moleFraction_);
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Valgrind::SetUndefined(averageMolarMass_);
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Valgrind::SetUndefined(sumMoleFractions_);
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}
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/*!
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* \brief The mole fraction of a component in a phase []
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*/
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const Scalar& moleFraction(unsigned phaseIdx, unsigned compIdx) const
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{ return moleFraction_[phaseIdx][compIdx]; }
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/*!
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* \brief The mass fraction of a component in a phase []
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*/
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Scalar massFraction(unsigned phaseIdx, unsigned compIdx) const
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{
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return
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abs(sumMoleFractions_[phaseIdx])
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*moleFraction_[phaseIdx][compIdx]
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*FluidSystem::molarMass(compIdx)
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/ max(1e-40, abs(averageMolarMass_[phaseIdx]));
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}
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/*!
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* \brief The mean molar mass of a fluid phase [kg/mol]
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*
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* The average molar mass is the mean mass of one mole of the
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* fluid at current composition. It is defined as the sum of the
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* component's molar masses weighted by the current mole fraction:
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* \f[ \bar M_\alpha = \sum_\kappa M^\kappa x_\alpha^\kappa \f]
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*/
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const Scalar& averageMolarMass(unsigned phaseIdx) const
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{ return averageMolarMass_[phaseIdx]; }
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/*!
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* \brief The concentration of a component in a phase [mol/m^3]
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*
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* This quantity is often called "molar concentration" or just
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* "concentration", but there are many other (though less common)
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* measures for concentration.
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*
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* http://en.wikipedia.org/wiki/Concentration
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*/
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Scalar molarity(unsigned phaseIdx, unsigned compIdx) const
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{ return asImp_().molarDensity(phaseIdx)*moleFraction(phaseIdx, compIdx); }
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/*!
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* \brief Set the mole fraction of a component in a phase []
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* and update the average molar mass [kg/mol] according
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* to the current composition of the phase
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*/
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void setMoleFraction(unsigned phaseIdx, unsigned compIdx, const Scalar& value)
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{
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Valgrind::CheckDefined(value);
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Valgrind::SetUndefined(sumMoleFractions_[phaseIdx]);
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Valgrind::SetUndefined(averageMolarMass_[phaseIdx]);
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Valgrind::SetUndefined(moleFraction_[phaseIdx][compIdx]);
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moleFraction_[phaseIdx][compIdx] = value;
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// re-calculate the mean molar mass
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sumMoleFractions_[phaseIdx] = 0.0;
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averageMolarMass_[phaseIdx] = 0.0;
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for (unsigned compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
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sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compJIdx];
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averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compJIdx]*FluidSystem::molarMass(compJIdx);
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}
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}
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void setCompressFactor(unsigned phaseIdx, const Scalar& value) {
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Valgrind::CheckDefined(value);
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Z_[phaseIdx] = value;
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}
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Scalar compressFactor(unsigned phaseIdx) const {
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return Z_[phaseIdx];
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}
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/*!
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* \brief Retrieve all parameters from an arbitrary fluid
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* state.
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*/
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template <class FluidState>
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void assign(const FluidState& fs)
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{
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for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
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averageMolarMass_[phaseIdx] = 0;
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sumMoleFractions_[phaseIdx] = 0;
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for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
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moleFraction_[phaseIdx][compIdx] =
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decay<Scalar>(fs.moleFraction(phaseIdx, compIdx));
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averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compIdx]*FluidSystem::molarMass(compIdx);
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sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compIdx];
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}
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}
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}
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/*!
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* \brief Make sure that all attributes are defined.
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*
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* This method does not do anything if the program is not run
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* under valgrind. If it is, then valgrind will print an error
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* message if some attributes of the object have not been properly
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* defined.
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*/
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void checkDefined() const
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{
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Valgrind::CheckDefined(moleFraction_);
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Valgrind::CheckDefined(averageMolarMass_);
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Valgrind::CheckDefined(sumMoleFractions_);
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Valgrind::CheckDefined(K_);
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Valgrind::CheckDefined(L_);
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}
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const Scalar& K(unsigned compIdx) const
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{
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return K_[compIdx];
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}
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/*!
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* \brief Set the K value of a component [-]
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*/
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void setKvalue(unsigned compIdx, const Scalar& value)
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{
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K_[compIdx] = value;
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}
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/*!
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* \brief The L value of a composition [-]
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*/
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const Scalar& L() const
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{
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return L_;
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}
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/*!
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* \brief Set the L value [-]
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*/
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void setLvalue(const Scalar& value)
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{
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L_ = value;
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}
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/*!
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* \brief Wilson formula to calculate K
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*
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*/
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Scalar wilsonK_(unsigned compIdx) const
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{
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const auto& acf = FluidSystem::acentricFactor(compIdx);
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const auto& T_crit = FluidSystem::criticalTemperature(compIdx);
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const auto& T = asImp_().temperature(0);
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const auto& p_crit = FluidSystem::criticalPressure(compIdx);
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const auto& p = asImp_().pressure(0); //for now assume no capillary pressure
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const auto tmp = exp(5.37 * (1+acf) * (1-T_crit/T)) * (p_crit/p);
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return tmp;
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}
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protected:
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const Implementation& asImp_() const
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{
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return *static_cast<const Implementation*>(this);
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}
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std::array<std::array<Scalar,numComponents>,numPhases> moleFraction_;
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std::array<Scalar,numPhases> averageMolarMass_;
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std::array<Scalar,numPhases> sumMoleFractions_;
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std::array<Scalar,numPhases> Z_;
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std::array<Scalar,numComponents> K_;
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Scalar L_;
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};
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/*!
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* \brief Module for the modular fluid state which provides the
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* phase compositions assuming immiscibility.
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*/
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template <class Scalar,
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class FluidSystem,
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class Implementation>
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class FluidStateImmiscibleCompositionModule
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{
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enum { numPhases = FluidSystem::numPhases };
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public:
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enum { numComponents = FluidSystem::numComponents };
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static_assert(static_cast<int>(numPhases) == static_cast<int>(numComponents),
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"The number of phases must be the same as the number of (pseudo-) components if you assume immiscibility");
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FluidStateImmiscibleCompositionModule() = default;
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/*!
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* \brief The mole fraction of a component in a phase []
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*/
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Scalar moleFraction(unsigned phaseIdx, unsigned compIdx) const
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{ return (phaseIdx == compIdx)?1.0:0.0; }
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/*!
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* \brief The mass fraction of a component in a phase []
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*/
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Scalar massFraction(unsigned phaseIdx, unsigned compIdx) const
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{ return (phaseIdx == compIdx)?1.0:0.0; }
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/*!
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* \brief The mean molar mass of a fluid phase [kg/mol]
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*
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* The average mass is the mean molar mass of a molecule of the
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* fluid at current composition. It is defined as the sum of the
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* component's molar masses weighted by the current mole fraction:
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* \f[ \bar M_\alpha = \sum_\kappa M^\kappa x_\alpha^\kappa \f]
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*/
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Scalar averageMolarMass(unsigned phaseIdx) const
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{ return FluidSystem::molarMass(/*compIdx=*/phaseIdx); }
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/*!
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* \brief The concentration of a component in a phase [mol/m^3]
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*
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* This quantity is often called "molar concentration" or just
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* "concentration", but there are many other (though less common)
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* measures for concentration.
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*
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* http://en.wikipedia.org/wiki/Concentration
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*/
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Scalar molarity(unsigned phaseIdx, unsigned compIdx) const
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{ return asImp_().molarDensity(phaseIdx)*moleFraction(phaseIdx, compIdx); }
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/*!
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* \brief Retrieve all parameters from an arbitrary fluid
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* state.
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*/
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template <class FluidState>
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void assign(const FluidState& /* fs */)
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{ }
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/*!
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* \brief Make sure that all attributes are defined.
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*
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* This method does not do anything if the program is not run
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* under valgrind. If it is, then valgrind will print an error
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* message if some attributes of the object have not been properly
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* defined.
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*/
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void checkDefined() const
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{ }
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protected:
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const Implementation& asImp_() const
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{ return *static_cast<const Implementation*>(this); }
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};
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/*!
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* \brief Module for the modular fluid state which does not store the
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* compositions but throws std::logic_error instead.
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*/
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template <class Scalar>
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class FluidStateNullCompositionModule
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{
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public:
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enum { numComponents = 0 };
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FluidStateNullCompositionModule() = default;
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/*!
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* \brief The mole fraction of a component in a phase []
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*/
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Scalar moleFraction(unsigned /* phaseIdx */, unsigned /* compIdx */) const
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{ throw std::logic_error("Mole fractions are not provided by this fluid state"); }
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/*!
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* \brief The mass fraction of a component in a phase []
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*/
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Scalar massFraction(unsigned /* phaseIdx */, unsigned /* compIdx */) const
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{ throw std::logic_error("Mass fractions are not provided by this fluid state"); }
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/*!
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* \brief The mean molar mass of a fluid phase [kg/mol]
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*
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* The average mass is the mean molar mass of a molecule of the
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* fluid at current composition. It is defined as the sum of the
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* component's molar masses weighted by the current mole fraction:
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* \f[ \bar M_\alpha = \sum_\kappa M^\kappa x_\alpha^\kappa \f]
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*/
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Scalar averageMolarMass(unsigned /* phaseIdx */) const
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{ throw std::logic_error("Mean molar masses are not provided by this fluid state"); }
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/*!
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* \brief The concentration of a component in a phase [mol/m^3]
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*
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* This quantity is often called "molar concentration" or just
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* "concentration", but there are many other (though less common)
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* measures for concentration.
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*
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* http://en.wikipedia.org/wiki/Concentration
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*/
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Scalar molarity(unsigned /* phaseIdx */, unsigned /* compIdx */) const
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{ throw std::logic_error("Molarities are not provided by this fluid state"); }
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/*!
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* \brief Make sure that all attributes are defined.
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*
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* This method does not do anything if the program is not run
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* under valgrind. If it is, then valgrind will print an error
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* message if some attributes of the object have not been properly
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* defined.
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*/
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void checkDefined() const
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{ }
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};
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} // namespace Opm
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#endif
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