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PTFlashParameterCache.hpp
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// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
/*
Copyright 2022 NORCE.
Copyright 2022 SINTEF Digital, Mathematics and Cybernetics.
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 <http://www.gnu.org/licenses/>.
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.
*/
#ifndef OPM_PTFlash_PARAMETER_CACHE_HPP
#define OPM_PTFlash_PARAMETER_CACHE_HPP
#include <opm/material/common/Valgrind.hpp>
#include <opm/material/fluidsystems/ParameterCacheBase.hpp>
#include <opm/material/eos/CubicEOS.hpp>
#include <opm/material/eos/CubicEOSParams.hpp>
#include <opm/input/eclipse/EclipseState/Compositional/CompositionalConfig.hpp>
#include <cassert>
namespace Opm {
template <class Scalar, class FluidSystem>
class PTFlashParameterCache
: public Opm::ParameterCacheBase<PTFlashParameterCache<Scalar, FluidSystem> >
{
using ThisType = PTFlashParameterCache<Scalar, FluidSystem>;
using ParentType = Opm::ParameterCacheBase<ThisType>;
using CubicEOS = Opm::CubicEOS<Scalar, FluidSystem>;
using EOSType = CompositionalConfig::EOSType;
enum { numPhases = FluidSystem::numPhases };
enum { oilPhaseIdx = FluidSystem::oilPhaseIdx };
enum { gasPhaseIdx = FluidSystem::gasPhaseIdx };
enum { waterPhaseIdx = FluidSystem::waterPhaseIdx };
static constexpr bool waterEnabled = FluidSystem::waterEnabled;
static_assert(static_cast<int>(oilPhaseIdx) >= 0, "Oil phase index must be non-negative");
static_assert(static_cast<int>(oilPhaseIdx) < static_cast<int>(numPhases),
"Oil phase index must be strictly less than FluidSystem's number of phases");
static_assert(static_cast<int>(gasPhaseIdx) >= 0, "Gas phase index must be non-negative");
static_assert(static_cast<int>(gasPhaseIdx) < static_cast<int>(numPhases),
"Gas phase index must be strictly less than FluidSystem's number of phases");
public:
using OilPhaseParams = Opm::CubicEOSParams<Scalar, FluidSystem, oilPhaseIdx>;
using GasPhaseParams = Opm::CubicEOSParams<Scalar, FluidSystem, gasPhaseIdx>;
explicit PTFlashParameterCache(EOSType eos_type)
{
VmUpToDate_[oilPhaseIdx] = false;
Valgrind::SetUndefined(Vm_[oilPhaseIdx]);
VmUpToDate_[gasPhaseIdx] = false;
Valgrind::SetUndefined(Vm_[gasPhaseIdx]);
oilPhaseParams_.setEOSType(eos_type);
gasPhaseParams_.setEOSType(eos_type);
}
template <class FluidState>
void updatePhase(const FluidState& fluidState,
unsigned phaseIdx,
int exceptQuantities = ParentType::None)
{
if (waterEnabled && phaseIdx == static_cast<unsigned int>(waterPhaseIdx)) {
return;
}
assert ((phaseIdx == static_cast<unsigned int>(oilPhaseIdx)) ||
(phaseIdx == static_cast<unsigned int>(gasPhaseIdx)));
updateEosParams(fluidState, phaseIdx, exceptQuantities);
// update the phase's molar volume
updateMolarVolume_(fluidState, phaseIdx);
}
template <class FluidState>
void updateSingleMoleFraction(const FluidState& fluidState,
unsigned phaseIdx,
unsigned compIdx)
{
if (phaseIdx == oilPhaseIdx)
oilPhaseParams_.updateSingleMoleFraction(fluidState, compIdx);
if (phaseIdx == gasPhaseIdx)
gasPhaseParams_.updateSingleMoleFraction(fluidState, compIdx);
else
return;
// update the phase's molar volume
updateMolarVolume_(fluidState, phaseIdx);
}
Scalar A(unsigned phaseIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.A();
case gasPhaseIdx: return gasPhaseParams_.A();
default:
throw std::logic_error("The A parameter is only defined for "
"oil and gas phases");
};
}
Scalar B(unsigned phaseIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.B();
case gasPhaseIdx: return gasPhaseParams_.B();
default:
throw std::logic_error("The B parameter is only defined for "
"oil and gas phases");
};
}
Scalar Bi(unsigned phaseIdx, unsigned compIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.Bi(compIdx);
case gasPhaseIdx: return gasPhaseParams_.Bi(compIdx);
default:
throw std::logic_error("The Bi parameter is only defined for "
"oil and gas phases");
};
}
Scalar m1(unsigned phaseIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.m1();
case gasPhaseIdx: return gasPhaseParams_.m1();
default:
throw std::logic_error("The m1 parameter is only defined for "
"oil and gas phases");
};
}
Scalar m2(unsigned phaseIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.m2();
case gasPhaseIdx: return gasPhaseParams_.m2();
default:
throw std::logic_error("The m2 parameter is only defined for "
"oil and gas phases");
};
}
Scalar a(unsigned phaseIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.a();
case gasPhaseIdx: return gasPhaseParams_.a();
default:
throw std::logic_error("The a() parameter is only defined for "
"oil and gas phases");
};
}
Scalar b(unsigned phaseIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.b();
case gasPhaseIdx: return gasPhaseParams_.b();
default:
throw std::logic_error("The b() parameter is only defined for "
"oil and gas phase");
};
}
Scalar aPure(unsigned phaseIdx, unsigned compIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.pureParams(compIdx).a();
case gasPhaseIdx: return gasPhaseParams_.pureParams(compIdx).a();
default:
throw std::logic_error("The a() parameter is only defined for "
"oil and gas phase");
};
}
Scalar bPure(unsigned phaseIdx, unsigned compIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.pureParams(compIdx).b();
case gasPhaseIdx: return gasPhaseParams_.pureParams(compIdx).b();
default:
throw std::logic_error("The b() parameter is only defined for "
"oil and gas phase");
};
}
Scalar aCache(unsigned phaseIdx, unsigned compIdx, unsigned compJIdx) const
{
switch (phaseIdx)
{
case oilPhaseIdx: return oilPhaseParams_.aCache(compIdx, compJIdx);
case gasPhaseIdx: return gasPhaseParams_.aCache(compIdx, compJIdx);
default:
throw std::logic_error("The aCache parameter is only defined for "
"oil and gas phase");
};
}
Scalar molarVolume(unsigned phaseIdx) const
{
assert(VmUpToDate_[phaseIdx]);
return Vm_[phaseIdx];
}
const OilPhaseParams& oilPhaseParams() const
{ return oilPhaseParams_; }
const GasPhaseParams& gasPhaseParams() const
// { throw std::invalid_argument("gas phase does not exist");}
{ return gasPhaseParams_; }
template <class FluidState>
void updateEosParams(const FluidState& fluidState,
unsigned phaseIdx,
int exceptQuantities = ParentType::None)
{
assert ((phaseIdx == static_cast<unsigned int>(oilPhaseIdx)) ||
(phaseIdx == static_cast<unsigned int>(gasPhaseIdx)));
if (!(exceptQuantities & ParentType::Temperature))
{
updatePure_(fluidState, phaseIdx);
updateMix_(fluidState, phaseIdx);
VmUpToDate_[phaseIdx] = false;
}
else if (!(exceptQuantities & ParentType::Composition))
{
updateMix_(fluidState, phaseIdx);
VmUpToDate_[phaseIdx] = false;
}
else if (!(exceptQuantities & ParentType::Pressure)) {
VmUpToDate_[phaseIdx] = false;
}
}
protected:
template <class FluidState>
void updatePure_(const FluidState& fluidState, unsigned phaseIdx)
{
Scalar T = decay<Scalar>(fluidState.temperature(phaseIdx));
Scalar p = decay<Scalar>(fluidState.pressure(phaseIdx));
switch (phaseIdx)
{
case oilPhaseIdx: oilPhaseParams_.updatePure(T, p); break;
case gasPhaseIdx: gasPhaseParams_.updatePure(T, p); break;
}
}
template <class FluidState>
void updateMix_(const FluidState& fluidState, unsigned phaseIdx)
{
Valgrind::CheckDefined(fluidState.averageMolarMass(phaseIdx));
switch (phaseIdx)
{
case oilPhaseIdx:
oilPhaseParams_.updateMix(fluidState);
break;
case gasPhaseIdx:
gasPhaseParams_.updateMix(fluidState);
break;
}
}
template <class FluidState>
void updateMolarVolume_(const FluidState& fluidState,
unsigned phaseIdx)
{
VmUpToDate_[phaseIdx] = true;
// calculate molar volume of the phase (we will need this for the
// fugacity coefficients and the density anyway)
switch (phaseIdx) {
case gasPhaseIdx: {
// calculate molar volumes for the given composition. although
// this isn't a Peng-Robinson parameter strictly speaking, the
// molar volume appears in basically every quantity the fluid
// system can get queried, so it is okay to calculate it
// here...
Vm_[gasPhaseIdx] = decay<Scalar> (
CubicEOS::computeMolarVolume(fluidState,
*this,
phaseIdx,
/*isGasPhase=*/true) );
break;
}
case oilPhaseIdx: {
// calculate molar volumes for the given composition. although
// this isn't a Peng-Robinson parameter strictly speaking, the
// molar volume appears in basically every quantity the fluid
// system can get queried, so it is okay to calculate it
// here...
Vm_[oilPhaseIdx] = decay<Scalar> (
CubicEOS::computeMolarVolume(fluidState,
*this,
phaseIdx,
/*isGasPhase=*/false) );
break;
}
};
}
bool VmUpToDate_[numPhases];
Scalar Vm_[numPhases];
OilPhaseParams oilPhaseParams_;
GasPhaseParams gasPhaseParams_;
};
} // namespace Opm
#endif
ParameterCacheBase.hpp
The base class of the parameter caches of fluid systems.
Valgrind.hpp
Some templates to wrap the valgrind client request macros.
Opm::Valgrind::SetUndefined
OPM_HOST_DEVICE void SetUndefined(const T &value)
Make the memory on which an object resides undefined in valgrind runs.
Definition Valgrind.hpp:174
Opm::Valgrind::CheckDefined
OPM_HOST_DEVICE bool CheckDefined(const T &value)
Make valgrind complain if any of the memory occupied by an object is undefined.
Definition Valgrind.hpp:76
Opm::CubicEOSParams
Definition CubicEOSParams.hpp:39
Opm::CubicEOS
Definition CubicEOS.hpp:34
Opm::PTFlashParameterCache::oilPhaseParams
const OilPhaseParams & oilPhaseParams() const
Returns the Peng-Robinson mixture parameters for the oil phase.
Definition PTFlashParameterCache.hpp:294
Opm::PTFlashParameterCache::updatePure_
void updatePure_(const FluidState &fluidState, unsigned phaseIdx)
Update all parameters of a phase which only depend on temperature and/or pressure.
Definition PTFlashParameterCache.hpp:345
Opm::PTFlashParameterCache::molarVolume
Scalar molarVolume(unsigned phaseIdx) const
Returns the molar volume of a phase [m^3/mol].
Definition PTFlashParameterCache.hpp:283
Opm::PTFlashParameterCache::updateSingleMoleFraction
void updateSingleMoleFraction(const FluidState &fluidState, unsigned phaseIdx, unsigned compIdx)
Update all cached parameters of a specific fluid phase which depend on the mole fraction of a single ...
Definition PTFlashParameterCache.hpp:111
Opm::PTFlashParameterCache::bPure
Scalar bPure(unsigned phaseIdx, unsigned compIdx) const
The Peng-Robinson covolume for a pure component given the same temperature and pressure of the phase.
Definition PTFlashParameterCache.hpp:247
Opm::PTFlashParameterCache::aCache
Scalar aCache(unsigned phaseIdx, unsigned compIdx, unsigned compJIdx) const
TODO.
Definition PTFlashParameterCache.hpp:266
Opm::PTFlashParameterCache::updateMix_
void updateMix_(const FluidState &fluidState, unsigned phaseIdx)
Update all parameters of a phase which depend on the fluid composition.
Definition PTFlashParameterCache.hpp:365
Opm::PTFlashParameterCache::updatePhase
void updatePhase(const FluidState &fluidState, unsigned phaseIdx, int exceptQuantities=ParentType::None)
Update all cached parameters of a specific fluid phase.
Definition PTFlashParameterCache.hpp:92
Opm::PTFlashParameterCache::a
Scalar a(unsigned phaseIdx) const
The Peng-Robinson attractive parameter for a phase.
Definition PTFlashParameterCache.hpp:191
Opm::PTFlashParameterCache::aPure
Scalar aPure(unsigned phaseIdx, unsigned compIdx) const
The Peng-Robinson attractive parameter for a pure component given the same temperature and pressure o...
Definition PTFlashParameterCache.hpp:228
Opm::PTFlashParameterCache< ValueType, Co2BrineFluidSystem< Scalar > >::OilPhaseParams
Opm::CubicEOSParams< ValueType, Co2BrineFluidSystem< Scalar >, oilPhaseIdx > OilPhaseParams
Definition PTFlashParameterCache.hpp:74
Opm::PTFlashParameterCache::b
Scalar b(unsigned phaseIdx) const
The Peng-Robinson covolume for a phase.
Definition PTFlashParameterCache.hpp:208
Opm::PTFlashParameterCache::updateEosParams
void updateEosParams(const FluidState &fluidState, unsigned phaseIdx, int exceptQuantities=ParentType::None)
Update all parameters required by the equation of state to calculate some quantities for the phase.
Definition PTFlashParameterCache.hpp:314
Opm::PTFlashParameterCache< ValueType, Co2BrineFluidSystem< Scalar > >::GasPhaseParams
Opm::CubicEOSParams< ValueType, Co2BrineFluidSystem< Scalar >, gasPhaseIdx > GasPhaseParams
Definition PTFlashParameterCache.hpp:77
Opm::PTFlashParameterCache::gasPhaseParams
const GasPhaseParams & gasPhaseParams() const
Returns the Peng-Robinson mixture parameters for the gas phase.
Definition PTFlashParameterCache.hpp:301
Opm::ParameterCacheBase
The base class of the parameter caches of fluid systems.
Definition ParameterCacheBase.hpp:38
Opm::ParameterCacheBase< ThisType >::Temperature
@ Temperature
Definition ParameterCacheBase.hpp:48
Opm::ParameterCacheBase< ThisType >::None
@ None
Definition ParameterCacheBase.hpp:45
Opm::ParameterCacheBase< ThisType >::Pressure
@ Pressure
Definition ParameterCacheBase.hpp:51
Opm::ParameterCacheBase< ThisType >::Composition
@ Composition
Definition ParameterCacheBase.hpp:54
Opm
This class implements a small container which holds the transmissibility mulitpliers for all the face...
Definition Exceptions.hpp:30