// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
/*
This file is part of the Open Porous Media project (OPM).
OPM 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.
OPM 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 OPM. If not, see .
Consult the COPYING file in the top-level source directory of this
module for the precise wording of the license and the list of
copyright holders.
*/
/*!
* \file
* \copydoc Opm::MiscibleMultiPhaseComposition
*/
#ifndef OPM_MISCIBLE_MULTIPHASE_COMPOSITION_HPP
#define OPM_MISCIBLE_MULTIPHASE_COMPOSITION_HPP
#include
#include
#include
#include
#include
#include
namespace Opm {
/*!
* \brief Specifies an auxiliary constraint for the
* MiscibleMultiPhaseComposition constraint solver.
*
* For this constraint solver, an auxiliary constraint is defined as a
* fixed mole fraction of a component in a fluid phase.
*/
template
class MMPCAuxConstraint
{
public:
MMPCAuxConstraint()
{}
MMPCAuxConstraint(unsigned phaseIndex, unsigned compIndex, Scalar val)
: phaseIdx_(phaseIndex)
, compIdx_(compIndex)
, value_(val)
{}
/*!
* \brief Specify the auxiliary constraint.
*/
void set(unsigned phaseIndex, unsigned compIndex, Scalar val)
{
phaseIdx_ = phaseIndex;
compIdx_ = compIndex;
value_ = val;
}
/*!
* \brief Returns the index of the fluid phase for which the
* auxiliary constraint is specified.
*/
unsigned phaseIdx() const
{ return phaseIdx_; }
/*!
* \brief Returns the index of the component for which the
* auxiliary constraint is specified.
*/
unsigned compIdx() const
{ return compIdx_; }
/*!
* \brief Returns value of the mole fraction of the auxiliary
* constraint.
*/
Scalar value() const
{ return value_; }
private:
unsigned phaseIdx_;
unsigned compIdx_;
Scalar value_;
};
/*!
* \brief Computes the composition of all phases of a N-phase,
* N-component fluid system assuming that all N phases are
* present
*
* The constraint solver assumes the following quantities to be set:
*
* - temperatures of *all* phases
* - saturations of *all* phases
* - pressures of *all* phases
*
* It also assumes that the mole/mass fractions of all phases sum up
* to 1. After calling the solve() method the following quantities
* are calculated in addition:
*
* - temperature of *all* phases
* - density, molar density, molar volume of *all* phases
* - composition in mole and mass fractions and molarities of *all* phases
* - mean molar masses of *all* phases
* - fugacity coefficients of *all* components in *all* phases
* - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
* - if the setInternalEnergy parameter is true, also specific enthalpies and internal energies of *all* phases
*/
template
class MiscibleMultiPhaseComposition
{
static const int numPhases = FluidSystem::numPhases;
static const int numComponents = FluidSystem::numComponents;
typedef MathToolbox Toolbox;
static_assert(numPhases <= numComponents,
"This solver requires that the number fluid phases is smaller or equal "
"to the number of components");
public:
/*!
* \brief Computes the composition of all phases of a N-phase,
* N-component fluid system assuming that all N phases are
* present
*
* The constraint solver assumes the following quantities to be set:
*
* - temperatures of *all* phases
* - saturations of *all* phases
* - pressures of *all* phases
*
* It also assumes that the mole/mass fractions of all phases sum up
* to 1. After calling the solve() method the following quantities
* are calculated in addition:
*
* - temperature of *all* phases
* - density, molar density, molar volume of *all* phases
* - composition in mole and mass fractions and molarities of *all* phases
* - mean molar masses of *all* phases
* - fugacity coefficients of *all* components in *all* phases
* - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
* - if the setInternalEnergy parameter is true, also specific enthalpies and internal energies of *all* phases
*/
template
static void solve(FluidState& fluidState,
ParameterCache& paramCache,
int phasePresence,
const MMPCAuxConstraint* auxConstraints,
unsigned numAuxConstraints,
bool setViscosity,
bool setInternalEnergy)
{
static_assert(std::is_same::value,
"The scalar type of the fluid state must be 'Evaluation'");
#ifndef NDEBUG
// currently this solver can only handle fluid systems which
// assume ideal mixtures of all fluids. TODO: relax this
// (requires solving a non-linear system of equations, i.e. using
// newton method.)
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
assert(FluidSystem::isIdealMixture(phaseIdx));
}
#endif
// compute all fugacity coefficients
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
paramCache.updatePhase(fluidState, phaseIdx);
// since we assume ideal mixtures, the fugacity
// coefficients of the components cannot depend on
// composition, i.e. the parameters in the cache are valid
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
Evaluation fugCoeff = decay(
FluidSystem::fugacityCoefficient(fluidState, paramCache, phaseIdx, compIdx));
fluidState.setFugacityCoefficient(phaseIdx, compIdx, fugCoeff);
}
}
// create the linear system of equations which defines the
// mole fractions
static const int numEq = numComponents*numPhases;
Dune::FieldMatrix M(0.0);
Dune::FieldVector x(0.0);
Dune::FieldVector b(0.0);
// assemble the equations expressing the fact that the
// fugacities of each component are equal in all phases
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
const Evaluation& entryCol1 =
fluidState.fugacityCoefficient(/*phaseIdx=*/0, compIdx)
*fluidState.pressure(/*phaseIdx=*/0);
unsigned col1Idx = compIdx;
for (unsigned phaseIdx = 1; phaseIdx < numPhases; ++phaseIdx) {
unsigned rowIdx = (phaseIdx - 1)*numComponents + compIdx;
unsigned col2Idx = phaseIdx*numComponents + compIdx;
const Evaluation& entryCol2 =
fluidState.fugacityCoefficient(phaseIdx, compIdx)
*fluidState.pressure(phaseIdx);
M[rowIdx][col1Idx] = entryCol1;
M[rowIdx][col2Idx] = -entryCol2;
}
}
// assemble the equations expressing the assumption that the
// sum of all mole fractions in each phase must be 1 for the
// phases present.
unsigned presentPhases = 0;
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (!(phasePresence& (1 << phaseIdx)))
continue;
unsigned rowIdx = numComponents*(numPhases - 1) + presentPhases;
presentPhases += 1;
b[rowIdx] = 1.0;
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
unsigned colIdx = phaseIdx*numComponents + compIdx;
M[rowIdx][colIdx] = 1.0;
}
}
assert(presentPhases + numAuxConstraints == numComponents);
// incorperate the auxiliary equations, i.e., the explicitly given mole fractions
for (unsigned auxEqIdx = 0; auxEqIdx < numAuxConstraints; ++auxEqIdx) {
unsigned rowIdx = numComponents*(numPhases - 1) + presentPhases + auxEqIdx;
b[rowIdx] = auxConstraints[auxEqIdx].value();
unsigned colIdx = auxConstraints[auxEqIdx].phaseIdx()*numComponents + auxConstraints[auxEqIdx].compIdx();
M[rowIdx][colIdx] = 1.0;
}
// solve for all mole fractions
try {
#if ! DUNE_VERSION_NEWER(DUNE_COMMON, 2,7)
static constexpr Scalar eps = std::numeric_limits::min()*1000.0;
Dune::FMatrixPrecision::set_singular_limit(eps);
#endif
M.solve(x, b);
}
catch (const Dune::FMatrixError& e) {
std::ostringstream oss;
oss << "Numerical problem in MiscibleMultiPhaseComposition::solve(): " << e.what() << "; M="<
static void solve(FluidState& fluidState,
ParameterCache& paramCache,
bool setViscosity,
bool setInternalEnergy)
{
solve(fluidState,
paramCache,
/*phasePresence=*/0xffffff,
/*numAuxConstraints=*/0,
/*auxConstraints=*/0,
setViscosity,
setInternalEnergy);
}
};
} // namespace Opm
#endif