WIP to make the test_chiflash using TwoPhaseThreeComponentFluidSystem

This commit is contained in:
Kai Bao 2021-11-09 14:39:45 +01:00 committed by Trine Mykkeltvedt
parent 871bc77ca1
commit e00be81c90
6 changed files with 1153 additions and 458 deletions

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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:
/*
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.
*/
/*!
* \file
* \copydoc Opm::ChiParameterCache
*/
#ifndef OPM_CHI_PARAMETER_CACHE_HPP
#define OPM_CHI_PARAMETER_CACHE_HPP
#include <cassert>
#include <opm/material/components/H2O.hpp>
#include <opm/material/fluidsystems/ParameterCacheBase.hpp>
#include <opm/material/eos/PengRobinson.hpp>
#include <opm/material/eos/PengRobinsonParamsMixture.hpp>
namespace Opm {
/*!
* \ingroup Fluidsystems
* \brief Specifies the parameter cache used by the SPE-5 fluid system.
*/
template <class Scalar, class FluidSystem>
class ChiParameterCache
: public Opm::ParameterCacheBase<ChiParameterCache<Scalar, FluidSystem> >
{
using ThisType = ChiParameterCache<Scalar, FluidSystem>;
using ParentType = Opm::ParameterCacheBase<ThisType>;
using PengRobinson = Opm::PengRobinson<Scalar>;
enum { numPhases = FluidSystem::numPhases };
enum { oilPhaseIdx = FluidSystem::oilPhaseIdx };
enum { gasPhaseIdx = FluidSystem::gasPhaseIdx};
public:
//! The cached parameters for the oil phase
using OilPhaseParams = Opm::PengRobinsonParamsMixture<Scalar, FluidSystem, oilPhaseIdx, /*useChi=*/false>;
//! The cached parameters for the gas phase
using GasPhaseParams = Opm::PengRobinsonParamsMixture<Scalar, FluidSystem, gasPhaseIdx, /*useChi=*/false>;
ChiParameterCache()
{
VmUpToDate_[oilPhaseIdx] = false;
Valgrind::SetUndefined(Vm_[oilPhaseIdx]);
VmUpToDate_[gasPhaseIdx] = false;
Valgrind::SetUndefined(Vm_[gasPhaseIdx]);
}
//! \copydoc ParameterCacheBase::updatePhase
template <class FluidState>
void updatePhase(const FluidState& fluidState,
unsigned phaseIdx,
int exceptQuantities = ParentType::None)
{
// if (phaseIdx != oilPhaseIdx)
// return;
updateEosParams(fluidState, phaseIdx, exceptQuantities);
// if we don't need to recalculate the molar volume, we exit
// here
// if (VmUpToDate_[phaseIdx])
// return;
// update the phase's molar volume
updateMolarVolume_(fluidState, phaseIdx);
}
//! \copydoc ParameterCacheBase::updateSingleMoleFraction
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);
}
/*!
* \brief The Peng-Robinson attractive parameter for a phase.
*
* \param phaseIdx The fluid phase of interest
*/
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 phases");
};
}
/*!
* \brief The Peng-Robinson covolume for a phase.
*
* \param phaseIdx The fluid phase of interest
*/
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 phase");
};
}
/*!
* \brief The Peng-Robinson attractive parameter for a pure
* component given the same temperature and pressure of the
* phase.
*
* \param phaseIdx The fluid phase of interest
* \param compIdx The component phase of interest
*/
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 phase");
};
}
/*!
* \brief The Peng-Robinson covolume for a pure component given
* the same temperature and pressure of the phase.
*
* \param phaseIdx The fluid phase of interest
* \param compIdx The component phase of interest
*/
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 phase");
};
}
/*!
* \brief Returns the molar volume of a phase [m^3/mol]
*
* \param phaseIdx The fluid phase of interest
*/
Scalar molarVolume(unsigned phaseIdx) const
{ assert(VmUpToDate_[phaseIdx]); return Vm_[phaseIdx]; }
/*!
* \brief Returns the Peng-Robinson mixture parameters for the oil
* phase.
*/
const OilPhaseParams& oilPhaseParams() const
{ return oilPhaseParams_; }
/*!
* \brief Returns the Peng-Robinson mixture parameters for the gas
* phase.
*/
const GasPhaseParams& gasPhaseParams() const
// { throw std::invalid_argument("gas phase does not exist");}
{ return gasPhaseParams_; }
/*!
* \brief Update all parameters required by the equation of state to
* calculate some quantities for the phase.
*
* \param fluidState The representation of the thermodynamic system of interest.
* \param phaseIdx The index of the fluid phase of interest.
* \param exceptQuantities The quantities of the fluid state that have not changed since the last update.
*/
template <class FluidState>
void updateEosParams(const FluidState& fluidState,
unsigned phaseIdx,
int exceptQuantities = ParentType::None)
{
// if (phaseIdx != oilPhaseIdx)
// return;
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:
/*!
* \brief Update all parameters of a phase which only depend on
* temperature and/or pressure.
*
* This usually means the parameters for the pure components.
*/
template <class FluidState>
void updatePure_(const FluidState& fluidState, unsigned phaseIdx)
{
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
switch (phaseIdx)
{
case oilPhaseIdx: oilPhaseParams_.updatePure(T, p); break;
case gasPhaseIdx: gasPhaseParams_.updatePure(T, p); break;
}
}
/*!
* \brief Update all parameters of a phase which depend on the
* fluid composition. It is assumed that updatePure() has
* been called before this method.
*
* Here, the mixing rule kicks in.
*/
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] =
PengRobinson::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] =
PengRobinson::computeMolarVolume(fluidState,
*this,
phaseIdx,
/*isGasPhase=*/false);
break;
}
};
}
bool VmUpToDate_[numPhases];
Scalar Vm_[numPhases];
OilPhaseParams oilPhaseParams_;
GasPhaseParams gasPhaseParams_;
};
} // namespace Opm
#endif

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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:
/*
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.
*/
/*!
* \file
* \copydoc Opm::LBCviscosity
*/
#ifndef LBC_VISCOSITY_HPP
#define LBC_VISCOSITY_HPP
#include <cmath>
#include <vector>
namespace Opm
{
template <class Scalar, class FluidSystem>
class LBCviscosity
{
public:
// Standard LBC model. (Lohrenz, Bray & Clark: "Calculating Viscosities of Reservoir
// fluids from Their Compositions", JPT 16.10 (1964).
template <class FluidState, class Params, class LhsEval = typename FluidState::Scalar>
static LhsEval LBC(const FluidState& fluidState,
const Params& /*paramCache*/,
unsigned phaseIdx)
{
const Scalar MPa_atm = 0.101325;
const Scalar R = 8.3144598e-3;//Mj/kmol*K
const auto& T = Opm::decay<LhsEval>(fluidState.temperature(phaseIdx));
const auto& rho = Opm::decay<LhsEval>(fluidState.density(phaseIdx));
LhsEval sumMm = 0.0;
LhsEval sumVolume = 0.0;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx) {
const Scalar& p_c = FluidSystem::criticalPressure(compIdx)/1e6; // in Mpa;
const Scalar& T_c = FluidSystem::criticalTemperature(compIdx);
const Scalar Mm = FluidSystem::molarMass(compIdx) * 1000; //in kg/kmol;
const auto& x = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
const Scalar v_c = FluidSystem::criticalVolume(compIdx); // in m3/kmol
sumMm += x*Mm;
sumVolume += x*v_c;
}
LhsEval rho_pc = sumMm/sumVolume; //mixture pseudocritical density
LhsEval rho_r = rho/rho_pc;
LhsEval xsum_T_c = 0.0; //mixture pseudocritical temperature
LhsEval xsum_Mm = 0.0; //mixture molar mass
LhsEval xsum_p_ca = 0.0; //mixture pseudocritical pressure
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx) {
const Scalar& p_c = FluidSystem::criticalPressure(compIdx)/1e6; // in Mpa;
const Scalar& T_c = FluidSystem::criticalTemperature(compIdx);
const Scalar Mm = FluidSystem::molarMass(compIdx) * 1000; //in kg/kmol;
const auto& x = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
Scalar p_ca = p_c / MPa_atm;
xsum_T_c += x*T_c;
xsum_Mm += x*Mm;
xsum_p_ca += x*p_ca;
}
LhsEval zeta_tot = Opm::pow(xsum_T_c / (Opm::pow(xsum_Mm,3.0) * Opm::pow(xsum_p_ca,4.0)),1./6);
LhsEval my0 = 0.0;
LhsEval sumxrM = 0.0;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx) {
const Scalar& p_c = FluidSystem::criticalPressure(compIdx)/1e6; // in Mpa;
const Scalar& T_c = FluidSystem::criticalTemperature(compIdx);
const Scalar Mm = FluidSystem::molarMass(compIdx) * 1000; //in kg/kmol;
const auto& x = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
Scalar p_ca = p_c / MPa_atm;
Scalar zeta = std::pow(T_c / (std::pow(Mm,3.0) * std::pow(p_ca,4.0)),1./6);
LhsEval T_r = T/T_c;
LhsEval xrM = x * std::pow(Mm,0.5);
LhsEval mys = 0.0;
if (T_r <=1.5) {
mys = 34.0e-5*Opm::pow(T_r,0.94)/zeta;
} else {
mys = 17.78e-5*Opm::pow(4.58*T_r - 1.67, 0.625)/zeta;
}
my0 += xrM*mys;
sumxrM += xrM;
}
my0 /= sumxrM;
std::vector<Scalar> LBC = {0.10230,
0.023364,
0.058533,
-0.040758, // trykkfeil i 1964-artikkel: -0.40758
0.0093324};
LhsEval sumLBC = 0.0;
for (int i = 0; i < 5; ++i) {
sumLBC += Opm::pow(rho_r,i)*LBC[i];
}
return (my0 + (Opm::pow(sumLBC,4.0) - 1e-4)/zeta_tot)/1e3; // mPas-> Pas
}
// Improved LBC model for CO2 rich mixtures. (Lansangan, Taylor, Smith & Kovarik - 1993)
template <class FluidState, class Params, class LhsEval = typename FluidState::Scalar>
static LhsEval LBCmod(const FluidState& fluidState,
const Params& /*paramCache*/,
unsigned phaseIdx)
{
const Scalar MPa_atm = 0.101325;
const Scalar R = 8.3144598e-3;//Mj/kmol*K
const auto& T = Opm::decay<LhsEval>(fluidState.temperature(phaseIdx));
const auto& rho = Opm::decay<LhsEval>(fluidState.density(phaseIdx));
LhsEval sumMm = 0.0;
LhsEval sumVolume = 0.0;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx) {
const Scalar& p_c = FluidSystem::criticalPressure(compIdx)/1e6; // in Mpa;
const Scalar& T_c = FluidSystem::criticalTemperature(compIdx);
const Scalar Mm = FluidSystem::molarMass(compIdx) * 1000; //in kg/kmol;
const auto& x = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
const Scalar v_c = FluidSystem::criticalVolume(compIdx); // in m3/kmol
sumMm += x*Mm;
sumVolume += x*v_c;
}
LhsEval rho_pc = sumMm/sumVolume; //mixture pseudocritical density
LhsEval rho_r = rho/rho_pc;
LhsEval xxT_p = 0.0; // x*x*T_c/p_c
LhsEval xxT2_p = 0.0; // x*x*T^2_c/p_c
for (unsigned i_compIdx = 0; i_compIdx < FluidSystem::numComponents; ++i_compIdx) {
const Scalar& T_c_i = FluidSystem::criticalTemperature(i_compIdx);
const Scalar& p_c_i = FluidSystem::criticalPressure(i_compIdx)/1e6; // in Mpa;
const auto& x_i = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, i_compIdx));
for (unsigned j_compIdx = 0; j_compIdx < FluidSystem::numComponents; ++j_compIdx) {
const Scalar& T_c_j = FluidSystem::criticalTemperature(j_compIdx);
const Scalar& p_c_j = FluidSystem::criticalPressure(j_compIdx)/1e6; // in Mpa;
const auto& x_j = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, j_compIdx));
const Scalar T_c_ij = std::sqrt(T_c_i*T_c_j);
const Scalar p_c_ij = 8.0*T_c_ij / Opm::pow(Opm::pow(T_c_i/p_c_i,1.0/3)+Opm::pow(T_c_j/p_c_j,1.0/3),3);
xxT_p += x_i*x_j*T_c_ij/p_c_ij;
xxT2_p += x_i*x_j*T_c_ij*T_c_ij/p_c_ij;
}
}
const LhsEval T_pc = xxT2_p/xxT_p; //mixture pseudocritical temperature
const LhsEval p_pc = T_pc/xxT_p; //mixture pseudocritical pressure
LhsEval p_pca = p_pc / MPa_atm;
LhsEval zeta_tot = Opm::pow(T_pc / (Opm::pow(sumMm,3.0) * Opm::pow(p_pca,4.0)),1./6);
LhsEval my0 = 0.0;
LhsEval sumxrM = 0.0;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx) {
const Scalar& p_c = FluidSystem::criticalPressure(compIdx)/1e6; // in Mpa;
const Scalar& T_c = FluidSystem::criticalTemperature(compIdx);
const Scalar Mm = FluidSystem::molarMass(compIdx) * 1000; //in kg/kmol;
const auto& x = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
Scalar p_ca = p_c / MPa_atm;
Scalar zeta = std::pow(T_c / (std::pow(Mm,3.0) * std::pow(p_ca,4.0)),1./6);
LhsEval T_r = T/T_c;
LhsEval xrM = x * std::pow(Mm,0.5);
LhsEval mys = 0.0;
if (T_r <=1.5) {
mys = 34.0e-5*Opm::pow(T_r,0.94)/zeta;
} else {
mys = 17.78e-5*Opm::pow(4.58*T_r - 1.67, 0.625)/zeta;
}
my0 += xrM*mys;
sumxrM += xrM;
}
my0 /= sumxrM;
std::vector<Scalar> LBC = {0.10230,
0.023364,
0.058533,
-0.040758, // trykkfeil i 1964-artikkel: -0.40758
0.0093324};
LhsEval sumLBC = 0.0;
for (int i = 0; i < 5; ++i) {
sumLBC += Opm::pow(rho_r,i)*LBC[i];
}
return (my0 + (Opm::pow(sumLBC,4.0) - 1e-4)/zeta_tot -1.8366e-8*Opm::pow(rho_r,13.992))/1e3; // mPas-> Pas
}
};
} // namespace Opm
#endif // LBC_VISCOSITY_HPP

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#ifndef __CHIWOMS_H__
#define __CHIWOMS_H__
// values are from the paper "Field-scale implications of density-driven
// convection in CO2-EOR reservoirs", to be presented at the Fifth CO2
// Geological Storage Workshop, at 2123 November 2018, in Utrecht,
// The Netherlands.
constexpr double TEMPERATURE = 80; /* degree Celsius */
constexpr double GRAVITYFACTOR = 1; /* fraction og gravity */
constexpr double MIN_PRES = 75; /* bars */
const double MAX_PRES = 220; /* bars */
constexpr double SIM_TIME = 1; /* days */
constexpr double Y_SIZE = 1.0; /* meter */
constexpr double X_SIZE = 1.0; /* meter */
constexpr double Z_SIZE = 1.0; /* meter */
const unsigned NX = 5; /* number of cells x-dir */
const unsigned NY = 5; /* number of cells y-dir */
const unsigned NZ = 5; /* number of cells z-dir */
const double POROSITY = 0.2; /* non-dimensional */
const double PERMEABILITY = 100; /* milli-Darcy */
const double DIFFUSIVITY = 1e-9; /* square meter per second */
const double MFCOMP0 = 0.9999999;
const double MFCOMP1 = 0.0000001;
const double MFCOMP2 = 0.0;
constexpr double INFLOW_RATE = -1e-4; /* unit kg/s ? */
/* "random" fields will be equal as long as this is set the same */
const double SEED = 5163166242092481088;
#endif /* __CHIWOMS_H__ */

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#ifndef COMPONENTS_HH
#define COMPONENTS_HH
#include "chiwoms.h"
#include <opm/material/IdealGas.hpp>
#include <opm/material/components/Component.hpp>
#include <opm/material/components/SimpleCO2.hpp>
#include <opm/material/components/CO2.hpp>
#include <opm/material/components/H2O.hpp>
namespace Opm {
/*!
* \ingroup Components
*
* \brief A simple representation of linear octane
*
* \tparam Scalar The type used for scalar values
*/
template <class Scalar>
class Octane : public Opm::Component<Scalar, Octane<Scalar> >
{
public:
/// Chemical name
static const char* name() { return "C8"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.11423; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 568.7; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 2.49e6; }
/// Acentric factor
static Scalar acentricFactor() { return 0.398; }
// Critical volume [m3/kmol] (same as [L/mol])
static Scalar criticalVolume() {return 4.92e-1; }
};
template <class Scalar>
class NDekane : public Opm::Component<Scalar, NDekane<Scalar> >
{
public:
/// Chemical name
static const char* name() { return "C10"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.1423; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 617.7; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 2.103e6; }
/// Acentric factor
static Scalar acentricFactor() { return 0.4884; }
// Critical volume [m3/kmol] (same as [L/mol])
static Scalar criticalVolume() {return 6.0976e-1; }
};
template <class Scalar>
class Methane : public Opm::Component<Scalar, Methane<Scalar> >
{
public:
/// Chemical name
static const char* name() { return "CH4"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.0160; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 190.5640; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 4.599e6; }
/// Acentric factor
static Scalar acentricFactor() { return 0.0114; }
// Critical volume [m3/kmol]
static Scalar criticalVolume() {return 9.8628e-2; }
};
template <class Scalar>
class Hydrogen : public Opm::Component<Scalar, Hydrogen<Scalar> >
{
public:
/// Chemical name
static const char* name() { return "H2"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.0020156; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 33.2; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 1.297e6; }
/// Acentric factor
static Scalar acentricFactor() { return -0.22; }
// Critical volume [m3/kmol]
static Scalar criticalVolume() {return 6.45e-2; }
};
template <class Scalar>
class Nitrogen : public Opm::Component<Scalar, Nitrogen<Scalar> >
{
public:
/// Chemical name
static const char* name() { return "N2"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.0280134; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 126.192; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 3.3958e6; }
/// Acentric factor
static Scalar acentricFactor() { return 0.039; }
// Critical volume [m3/kmol]
static Scalar criticalVolume() {return 8.94e-2; }
};
template <class Scalar>
class Water : public Opm::Component<Scalar, Water<Scalar> >
{
public:
/// Chemical name
static const char* name() { return "H20"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.01801528; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 647; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 22.064e6; }
/// Acentric factor
static Scalar acentricFactor() { return 0.344; }
// Critical volume [m3/kmol]
static Scalar criticalVolume() {return 5.595e-2; }
};
template <class Scalar>
class ChiwomsCO2 : public Opm::SimpleCO2<Scalar>
{
public:
/// Chemical name
static const char* name() { return "CO2"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.0440095; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 304.1; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 7.38e6; }
/// Acentric factor
static Scalar acentricFactor() { return 0.225; }
// Critical volume [m3/kmol]
static Scalar criticalVolume() {return 9.4118e-2; }
};
template <class Scalar>
class ChiwomsBrine : public Opm::H2O<Scalar>
{
public:
/// Chemical name
static const char* name() { return "H20-NaCl"; }
/// Molar mass in \f$\mathrm{[kg/mol]}\f$
static Scalar molarMass() { return 0.0180158; }
/// Critical temperature in \f$\mathrm[K]}\f$
static Scalar criticalTemperature() { return 647.096; }
/// Critical pressure in \f$\mathrm[Pa]}\f$
static Scalar criticalPressure() { return 2.21e7; }
/// Acentric factor
static Scalar acentricFactor() { return 0.344; }
// Critical volume [m3/kmol]
static Scalar criticalVolume() {return 5.595e-2; }
};
struct EOS
{
template<typename LhsEval>
static LhsEval oleic_enthalpy(LhsEval T, LhsEval p, LhsEval x) {
return 0;
}
template<typename LhsEval>
static LhsEval aqueous_enthalpy(LhsEval T, LhsEval p, LhsEval x) {
return 0;
}
};
} // namespace opm
#endif // COMPONENTS_HH

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@ -0,0 +1,360 @@
#ifndef TWOPHASEFLUIDSYSTEM_HH
#define TWOPHASEFLUIDSYSTEM_HH
#include "components.hh"
#include "chiwoms.h"
#include "LBCviscosity.hpp"
#include <iostream>
#include <cassert>
#include <stdexcept> // invalid_argument
#include <sstream>
#include <iostream>
#include <string>
#include <random> // mt19937, normal_distribution
#include <limits> // epsilon
#include <boost/format.hpp> // boost::format
#include <opm/common/Exceptions.hpp>
#include <opm/material/IdealGas.hpp>
#include <opm/material/components/Component.hpp>
#include <opm/material/components/SimpleCO2.hpp>
#include <opm/material/components/CO2.hpp>
#include <opm/material/components/Brine.hpp>
#include <opm/material/components/SimpleH2O.hpp>
#include <opm/material/eos/PengRobinsonMixture.hpp>
#include <opm/material/eos/PengRobinsonParamsMixture.hpp>
#include "ChiParameterCache.hpp"
#include <opm/material/common/Valgrind.hpp>
#include <opm/material/common/Exceptions.hpp>
#include <opm/material/common/UniformTabulated2DFunction.hpp>
#include <opm/material/common/Unused.hpp>
#include <opm/material/fluidsystems/BaseFluidSystem.hpp>
#include <opm/material/fluidsystems/NullParameterCache.hpp>
#include <opm/material/fluidsystems/H2ON2FluidSystem.hpp>
#include <opm/material/fluidsystems/BrineCO2FluidSystem.hpp>
#include <opm/material/fluidstates/CompositionalFluidState.hpp>
#include <opm/material/fluidstates/ImmiscibleFluidState.hpp>
#include <opm/material/constraintsolvers/ComputeFromReferencePhase.hpp>
#include <opm/material/fluidmatrixinteractions/LinearMaterial.hpp>
#include <opm/material/fluidmatrixinteractions/RegularizedBrooksCorey.hpp>
#include <opm/material/fluidmatrixinteractions/EffToAbsLaw.hpp>
#include <opm/material/fluidmatrixinteractions/MaterialTraits.hpp>
#include <opm/material/thermal/SomertonThermalConductionLaw.hpp>
#include <opm/material/thermal/ConstantSolidHeatCapLaw.hpp>
#include <opm/material/binarycoefficients/H2O_CO2.hpp>
#include <opm/material/binarycoefficients/Brine_CO2.hpp>
namespace Opm {
/*!
* \ingroup Fluidsystems
*
* \brief A two-phase fluid system with three components
*/
template <class Scalar>
class TwoPhaseThreeComponentFluidSystem
: public Opm::BaseFluidSystem<Scalar, TwoPhaseThreeComponentFluidSystem<Scalar> >
{
using ThisType = TwoPhaseThreeComponentFluidSystem<Scalar>;
using Base = Opm::BaseFluidSystem<Scalar, ThisType>;
using PengRobinson = typename Opm::PengRobinson<Scalar>;
using PengRobinsonMixture = typename Opm::PengRobinsonMixture<Scalar, ThisType>;
using LBCviscosity = typename Opm::LBCviscosity<Scalar, ThisType>;
using H2O = typename Opm::H2O<Scalar>;
using Brine = typename Opm::Brine<Scalar, H2O>;
public:
//! \copydoc BaseFluidSystem::ParameterCache
//template <class Evaluation>
//using ParameterCache = Opm::NullParameterCache<Evaluation>;
//! \copydoc BaseFluidSystem::ParameterCache
template <class Evaluation>
using ParameterCache = Opm::ChiParameterCache<Evaluation, ThisType>;
/****************************************
* Fluid phase related static parameters
****************************************/
//! \copydoc BaseFluidSystem::numPhases
static const int numPhases = 2;
//! Index of the liquid phase
static const int oilPhaseIdx = 0;
static const int gasPhaseIdx = 1;
//! \copydoc BaseFluidSystem::phaseName
static const char* phaseName(unsigned phaseIdx)
{
static const char* name[] = {"o", // oleic phase
"g"}; // gas phase
assert(0 <= phaseIdx && phaseIdx < numPhases);
return name[phaseIdx];
}
//! \copydoc BaseFluidSystem::isIdealMixture
static bool isIdealMixture(unsigned phaseIdx)
{
if (phaseIdx == oilPhaseIdx)
return false;
// CO2 have associative effects
return true;
}
/****************************************
* Component related static parameters
****************************************/
//! \copydoc BaseFluidSystem::numComponents
static const int numComponents = 2; // Comp0, Comp1 and Comp2
//! first comp idx
static const int Comp0Idx = 0;
//! second comp idx
static const int Comp1Idx = 1;
// TODO: make this a loop over choises in chiwoms.hh
// using Comp0 = Opm::Methane<Scalar>;
using Comp0 = Opm::ChiwomsBrine<Scalar>;
using Comp1 = Opm::ChiwomsCO2<Scalar>;
static void init(Scalar minT = 273.15,
Scalar maxT = 373.15,
Scalar minP = 1e4,
Scalar maxP = 100e6)
{
Opm::PengRobinsonParamsMixture<Scalar, ThisType, oilPhaseIdx, /*useSpe5=*/false> prParams;
// find envelopes of the 'a' and 'b' parameters for the range
// minT <= T <= maxT and minP <= p <= maxP. For
// this we take advantage of the fact that 'a' and 'b' for
// mixtures is just a convex combination of the attractive and
// repulsive parameters of the pure components
Scalar minA = 1e30, maxA = -1e30;
Scalar minB = 1e30, maxB = -1e30;
prParams.updatePure(minT, minP);
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
minA = std::min(prParams.pureParams(compIdx).a(), minA);
maxA = std::max(prParams.pureParams(compIdx).a(), maxA);
minB = std::min(prParams.pureParams(compIdx).b(), minB);
maxB = std::max(prParams.pureParams(compIdx).b(), maxB);
};
prParams.updatePure(maxT, minP);
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
minA = std::min(prParams.pureParams(compIdx).a(), minA);
maxA = std::max(prParams.pureParams(compIdx).a(), maxA);
minB = std::min(prParams.pureParams(compIdx).b(), minB);
maxB = std::max(prParams.pureParams(compIdx).b(), maxB);
};
prParams.updatePure(minT, maxP);
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
minA = std::min(prParams.pureParams(compIdx).a(), minA);
maxA = std::max(prParams.pureParams(compIdx).a(), maxA);
minB = std::min(prParams.pureParams(compIdx).b(), minB);
maxB = std::max(prParams.pureParams(compIdx).b(), maxB);
};
prParams.updatePure(maxT, maxP);
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
minA = std::min(prParams.pureParams(compIdx).a(), minA);
maxA = std::max(prParams.pureParams(compIdx).a(), maxA);
minB = std::min(prParams.pureParams(compIdx).b(), minB);
maxB = std::max(prParams.pureParams(compIdx).b(), maxB);
};
// PengRobinson::init(/*aMin=*/minA, /*aMax=*/maxA, /*na=*/100,
// /*bMin=*/minB, /*bMax=*/maxB, /*nb=*/200);
}
//! \copydoc BaseFluidSystem::componentName
static const char* componentName(unsigned compIdx)
{
static const char* name[] = {
Comp0::name(),
Comp1::name(),
};
assert(0 <= compIdx && compIdx < numComponents);
return name[compIdx];
}
//! \copydoc BaseFluidSystem::molarMass
static Scalar molarMass(unsigned compIdx)
{
return (compIdx == Comp0Idx)
? Comp0::molarMass()
: (compIdx == Comp1Idx)
? Comp1::molarMass()
: throw std::invalid_argument("Molar mass component index");
}
/*!
* \brief Critical temperature of a component [K].
*
* \copydetails Doxygen::compIdxParam
*/
static Scalar criticalTemperature(unsigned compIdx)
{
return (compIdx == Comp0Idx)
? Comp0::criticalTemperature()
: (compIdx == Comp1Idx)
? Comp1::criticalTemperature()
: throw std::invalid_argument("Critical temperature component index");
}
/*!
* \brief Critical pressure of a component [Pa].
*
* \copydetails Doxygen::compIdxParam
*/
static Scalar criticalPressure(unsigned compIdx)
{
return (compIdx == Comp0Idx)
? Comp0::criticalPressure()
: (compIdx == Comp1Idx)
? Comp1::criticalPressure()
: throw std::invalid_argument("Critical pressure component index");
}
/*!
* \brief Critical volume of a component [m3].
*
* \copydetails Doxygen::compIdxParam
*/
static Scalar criticalVolume(unsigned compIdx)
{
return (compIdx == Comp0Idx)
? Comp0::criticalVolume()
: (compIdx == Comp1Idx)
? Comp1::criticalVolume()
: throw std::invalid_argument("Critical volume component index");
}
/*!
* \brief The acentric factor of a component [].
*
* \copydetails Doxygen::compIdxParam
*/
static Scalar acentricFactor(unsigned compIdx)
{
return (compIdx == Comp0Idx)
? Comp0::acentricFactor()
: (compIdx == Comp1Idx)
? Comp1::acentricFactor()
: throw std::invalid_argument("Molar mass component index");
}
/****************************************
* thermodynamic relations
****************************************/
/*!
* \copydoc BaseFluidSystem::density
*/
template <class FluidState, class LhsEval = typename FluidState::Scalar, class ParamCacheEval = LhsEval>
static LhsEval density(const FluidState& fluidState,
const ParameterCache<ParamCacheEval>& paramCache,
unsigned phaseIdx)
{
LhsEval dens;
if (phaseIdx == oilPhaseIdx || phaseIdx == gasPhaseIdx) {
// paramCache.updatePhase(fluidState, phaseIdx);
dens = fluidState.averageMolarMass(phaseIdx) / paramCache.molarVolume(phaseIdx);
}
return dens;
}
//! \copydoc BaseFluidSystem::viscosity
template <class FluidState, class LhsEval = typename FluidState::Scalar, class ParamCacheEval = LhsEval>
static LhsEval viscosity(const FluidState& fluidState,
const ParameterCache<ParamCacheEval>& paramCache,
unsigned phaseIdx)
{
// Use LBC method to calculate viscosity
LhsEval mu;
// if (phaseIdx == gasPhaseIdx) {
mu = LBCviscosity::LBCmod(fluidState, paramCache, phaseIdx);
// }
// else {
// const auto& T = Opm::decay<LhsEval>(fluidState.temperature(phaseIdx));
// const auto& p = Opm::decay<LhsEval>(fluidState.pressure(0));
// mu = Brine::liquidViscosity(T, p);
// }
return mu;
}
//! \copydoc BaseFluidSystem::enthalpy
template <class FluidState, class LhsEval = typename FluidState::Scalar, class ParamCacheEval = LhsEval>
static LhsEval enthalpy(const FluidState& fluidState,
const ParameterCache<ParamCacheEval>& /*paramCache*/,
unsigned phaseIdx)
{
const auto& T = Opm::decay<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = Opm::decay<LhsEval>(fluidState.pressure(phaseIdx));
const auto& x = Opm::decay<LhsEval>(fluidState.moleFraction(phaseIdx, Comp1Idx));
if(phaseIdx == oilPhaseIdx) {
return EOS::oleic_enthalpy(T, p, x); //TODO
}
else {
return EOS::aqueous_enthalpy(T, p, x); //TODO
}
}
//! \copydoc BaseFluidSystem::fugacityCoefficient
template <class FluidState, class LhsEval = typename FluidState::Scalar, class ParamCacheEval = LhsEval>
static LhsEval fugacityCoefficient(const FluidState& fluidState,
const ParameterCache<ParamCacheEval>& paramCache,
unsigned phaseIdx,
unsigned compIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
assert(0 <= compIdx && compIdx < numComponents);
Scalar phi = Opm::getValue(
PengRobinsonMixture::computeFugacityCoefficient(fluidState, paramCache, phaseIdx, compIdx));
return phi;
throw std::invalid_argument("crap!");
}
//! \copydoc BaseFluidSystem::diffusionCoefficient
template <class FluidState, class LhsEval = typename FluidState::Scalar, class ParamCacheEval = LhsEval>
static LhsEval diffusionCoefficient(const FluidState& /*fluidState*/,
const ParameterCache<ParamCacheEval>& /*paramCache*/,
unsigned /*phaseIdx*/,
unsigned /*compIdx*/)
{
return DIFFUSIVITY;
}
/*!
* \brief Returns the interaction coefficient for two components.
*.
*/
static Scalar interactionCoefficient(unsigned comp1Idx, unsigned comp2Idx)
{
return 0.0; //-0.101;//0.1089;
}
};
};//namespace opm
#endif // TWOPHASEFLUIDSYSTEM_HH

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@ -29,6 +29,7 @@
#include "config.h"
#include <opm/material/constraintsolvers/ChiFlash.hpp>
#include <opm/material/fluidsystems/chifluid/twophasefluidsystem.hh>
#include <opm/material/densead/Evaluation.hpp>
#include <opm/material/constraintsolvers/ComputeFromReferencePhase.hpp>
@ -40,471 +41,15 @@
#include <dune/common/parallel/mpihelper.hh>
template <class FluidSystem, class FluidState>
void createSurfaceGasFluidSystem(FluidState& gasFluidState)
{
static const int gasPhaseIdx = FluidSystem::gasPhaseIdx;
// temperature
gasFluidState.setTemperature(273.15 + 20);
// gas pressure
gasFluidState.setPressure(gasPhaseIdx, 1e5);
// gas saturation
gasFluidState.setSaturation(gasPhaseIdx, 1.0);
// gas composition: mostly methane, a bit of propane
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::H2OIdx, 0.0);
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::C1Idx, 0.94);
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::C3Idx, 0.06);
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::C6Idx, 0.00);
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::C10Idx, 0.00);
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::C15Idx, 0.00);
gasFluidState.setMoleFraction(gasPhaseIdx, FluidSystem::C20Idx, 0.00);
// gas density
typename FluidSystem::template ParameterCache<typename FluidState::Scalar> paramCache;
paramCache.updatePhase(gasFluidState, gasPhaseIdx);
gasFluidState.setDensity(gasPhaseIdx,
FluidSystem::density(gasFluidState, paramCache, gasPhaseIdx));
}
template <class Scalar, class FluidSystem, class FluidState>
Scalar computeSumxg(FluidState& resultFluidState,
const FluidState& prestineFluidState,
const FluidState& gasFluidState,
Scalar additionalGas)
{
static const int oilPhaseIdx = FluidSystem::oilPhaseIdx;
static const int gasPhaseIdx = FluidSystem::gasPhaseIdx;
static const int numComponents = FluidSystem::numComponents;
typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
typedef Opm::NcpFlash<Scalar, FluidSystem> Flash;
resultFluidState.assign(prestineFluidState);
// add a bit of additional gas components
ComponentVector totalMolarities;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++ compIdx)
totalMolarities =
prestineFluidState.molarity(oilPhaseIdx, compIdx)
+ additionalGas*gasFluidState.moleFraction(gasPhaseIdx, compIdx);
// "flash" the modified fluid state
typename FluidSystem::ParameterCache paramCache;
Flash::solve(resultFluidState, totalMolarities);
Scalar sumxg = 0;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx)
sumxg += resultFluidState.moleFraction(gasPhaseIdx, compIdx);
return sumxg;
}
template <class Scalar, class FluidSystem, class FluidState>
void makeOilSaturated(FluidState& fluidState, const FluidState& gasFluidState)
{
static const int gasPhaseIdx = FluidSystem::gasPhaseIdx;
FluidState prestineFluidState;
prestineFluidState.assign(fluidState);
Scalar sumxg = 0;
for (unsigned compIdx = 0; compIdx < FluidSystem::numComponents; ++compIdx)
sumxg += fluidState.moleFraction(gasPhaseIdx, compIdx);
// Newton method
Scalar tol = 1e-8;
Scalar additionalGas = 0; // [mol]
for (int i = 0; std::abs(sumxg - 1) > tol; ++i) {
if (i > 50)
throw std::runtime_error("Newton method did not converge after 50 iterations");
Scalar eps = std::max(1e-8, additionalGas*1e-8);
Scalar f = 1 - computeSumxg<Scalar, FluidSystem>(prestineFluidState,
fluidState,
gasFluidState,
additionalGas);
Scalar fStar = 1 - computeSumxg<Scalar, FluidSystem>(prestineFluidState,
fluidState,
gasFluidState,
additionalGas + eps);
Scalar fPrime = (fStar - f)/eps;
additionalGas -= f/fPrime;
};
}
template <class FluidSystem, class FluidState>
void guessInitial(FluidState& fluidState, unsigned phaseIdx)
{
if (phaseIdx == FluidSystem::gasPhaseIdx) {
fluidState.setMoleFraction(phaseIdx, FluidSystem::H2OIdx, 0.0);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C1Idx, 0.74785);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C3Idx, 0.0121364);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C6Idx, 0.00606028);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C10Idx, 0.00268136);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C15Idx, 0.000204256);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C20Idx, 8.78291e-06);
}
else if (phaseIdx == FluidSystem::oilPhaseIdx) {
fluidState.setMoleFraction(phaseIdx, FluidSystem::H2OIdx, 0.0);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C1Idx, 0.50);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C3Idx, 0.03);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C6Idx, 0.07);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C10Idx, 0.20);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C15Idx, 0.15);
fluidState.setMoleFraction(phaseIdx, FluidSystem::C20Idx, 0.05);
}
else {
assert(phaseIdx == FluidSystem::waterPhaseIdx);
}
}
template <class Scalar, class FluidSystem, class FluidState>
Scalar bringOilToSurface(FluidState& surfaceFluidState, Scalar alpha, const FluidState& reservoirFluidState, bool guessInitial)
{
enum {
numPhases = FluidSystem::numPhases,
waterPhaseIdx = FluidSystem::waterPhaseIdx,
gasPhaseIdx = FluidSystem::gasPhaseIdx,
oilPhaseIdx = FluidSystem::oilPhaseIdx,
numComponents = FluidSystem::numComponents
};
typedef Opm::NcpFlash<Scalar, FluidSystem> Flash;
typedef Opm::ThreePhaseMaterialTraits<Scalar, waterPhaseIdx, oilPhaseIdx, gasPhaseIdx> MaterialTraits;
typedef Opm::LinearMaterial<MaterialTraits> MaterialLaw;
typedef typename MaterialLaw::Params MaterialLawParams;
typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
const Scalar refPressure = 1.0135e5; // [Pa]
// set the parameters for the capillary pressure law
MaterialLawParams matParams;
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
matParams.setPcMinSat(phaseIdx, 0.0);
matParams.setPcMaxSat(phaseIdx, 0.0);
}
matParams.finalize();
// retieve the global volumetric component molarities
surfaceFluidState.setTemperature(273.15 + 20);
ComponentVector molarities;
for (unsigned compIdx = 0; compIdx < numComponents; ++ compIdx)
molarities[compIdx] = reservoirFluidState.molarity(oilPhaseIdx, compIdx);
if (guessInitial) {
// we start at a fluid state with reservoir oil.
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
for (unsigned compIdx = 0; compIdx < numComponents; ++ compIdx) {
surfaceFluidState.setMoleFraction(phaseIdx,
compIdx,
reservoirFluidState.moleFraction(phaseIdx, compIdx));
}
surfaceFluidState.setDensity(phaseIdx, reservoirFluidState.density(phaseIdx));
surfaceFluidState.setPressure(phaseIdx, reservoirFluidState.pressure(phaseIdx));
surfaceFluidState.setSaturation(phaseIdx, 0.0);
}
surfaceFluidState.setSaturation(oilPhaseIdx, 1.0);
surfaceFluidState.setSaturation(gasPhaseIdx, 1.0 - surfaceFluidState.saturation(oilPhaseIdx));
}
typename FluidSystem::template ParameterCache<Scalar> paramCache;
paramCache.updateAll(surfaceFluidState);
// increase volume until we are at surface pressure. use the
// newton method for this
ComponentVector tmpMolarities;
for (int i = 0;; ++i) {
if (i >= 20)
throw Opm::NumericalIssue("Newton method did not converge after 20 iterations");
// calculate the deviation from the standard pressure
tmpMolarities = molarities;
tmpMolarities /= alpha;
Flash::template solve<MaterialLaw>(surfaceFluidState, matParams, paramCache, tmpMolarities);
Scalar f = surfaceFluidState.pressure(gasPhaseIdx) - refPressure;
// calculate the derivative of the deviation from the standard
// pressure
Scalar eps = alpha*1e-10;
tmpMolarities = molarities;
tmpMolarities /= alpha + eps;
Flash::template solve<MaterialLaw>(surfaceFluidState, matParams, paramCache, tmpMolarities);
Scalar fStar = surfaceFluidState.pressure(gasPhaseIdx) - refPressure;
Scalar fPrime = (fStar - f)/eps;
// newton update
Scalar delta = f/fPrime;
alpha -= delta;
if (std::abs(delta) < std::abs(alpha)*1e-9) {
break;
}
}
// calculate the final result
tmpMolarities = molarities;
tmpMolarities /= alpha;
Flash::template solve<MaterialLaw>(surfaceFluidState, matParams, paramCache, tmpMolarities);
return alpha;
}
template <class RawTable>
void printResult(const RawTable& rawTable,
const std::string& fieldName,
size_t firstIdx,
size_t secondIdx,
double hiresThres)
{
std::cout << "std::vector<std::pair<Scalar, Scalar> > "<<fieldName<<" = {\n";
size_t sampleIdx = 0;
size_t numSamples = 20;
size_t numRawHires = 0;
for (; rawTable[numRawHires][firstIdx] > hiresThres; ++numRawHires)
{}
for (; sampleIdx < numSamples; ++sampleIdx) {
size_t rawIdx = sampleIdx*numRawHires/numSamples;
std::cout << "{ " << rawTable[rawIdx][firstIdx] << ", "
<< rawTable[rawIdx][secondIdx] << " }"
<< ",\n";
}
numSamples = 15;
for (sampleIdx = 0; sampleIdx < numSamples; ++sampleIdx) {
size_t rawIdx = sampleIdx*(rawTable.size() - numRawHires)/numSamples + numRawHires;
std::cout << "{ " << rawTable[rawIdx][firstIdx] << ", "
<< rawTable[rawIdx][secondIdx] << " }";
if (sampleIdx < numSamples - 1)
std::cout << ",\n";
else
std::cout << "\n";
}
std::cout << "};\n";
}
template <class Scalar>
inline void testAll()
{
typedef Opm::Spe5FluidSystem<Scalar> FluidSystem;
enum {
numPhases = FluidSystem::numPhases,
waterPhaseIdx = FluidSystem::waterPhaseIdx,
gasPhaseIdx = FluidSystem::gasPhaseIdx,
oilPhaseIdx = FluidSystem::oilPhaseIdx,
numComponents = FluidSystem::numComponents,
H2OIdx = FluidSystem::H2OIdx,
C1Idx = FluidSystem::C1Idx,
C3Idx = FluidSystem::C3Idx,
C6Idx = FluidSystem::C6Idx,
C10Idx = FluidSystem::C10Idx,
C15Idx = FluidSystem::C15Idx,
C20Idx = FluidSystem::C20Idx
};
typedef Opm::NcpFlash<Scalar, FluidSystem> Flash;
typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
typedef Opm::CompositionalFluidState<Scalar, FluidSystem> FluidState;
typedef Opm::ThreePhaseMaterialTraits<Scalar, waterPhaseIdx, oilPhaseIdx, gasPhaseIdx> MaterialTraits;
typedef Opm::LinearMaterial<MaterialTraits> MaterialLaw;
typedef typename MaterialLaw::Params MaterialLawParams;
typedef typename FluidSystem::template ParameterCache<Scalar> ParameterCache;
////////////
// Initialize the fluid system and create the capillary pressure
// parameters
////////////
Scalar T = 273.15 + 20; // 20 deg Celsius
FluidSystem::init(/*minTemperature=*/T - 1,
/*maxTemperature=*/T + 1,
/*minPressure=*/1.0e4,
/*maxTemperature=*/40.0e6);
// set the parameters for the capillary pressure law
MaterialLawParams matParams;
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
matParams.setPcMinSat(phaseIdx, 0.0);
matParams.setPcMaxSat(phaseIdx, 0.0);
}
matParams.finalize();
////////////
// Create a fluid state
////////////
FluidState gasFluidState;
createSurfaceGasFluidSystem<FluidSystem>(gasFluidState);
FluidState fluidState;
ParameterCache paramCache;
// temperature
fluidState.setTemperature(T);
// oil pressure
fluidState.setPressure(oilPhaseIdx, 4000 * 6894.7573); // 4000 PSI
// oil saturation
fluidState.setSaturation(oilPhaseIdx, 1.0);
fluidState.setSaturation(gasPhaseIdx, 1.0 - fluidState.saturation(oilPhaseIdx));
// oil composition: SPE-5 reservoir oil
fluidState.setMoleFraction(oilPhaseIdx, H2OIdx, 0.0);
fluidState.setMoleFraction(oilPhaseIdx, C1Idx, 0.50);
fluidState.setMoleFraction(oilPhaseIdx, C3Idx, 0.03);
fluidState.setMoleFraction(oilPhaseIdx, C6Idx, 0.07);
fluidState.setMoleFraction(oilPhaseIdx, C10Idx, 0.20);
fluidState.setMoleFraction(oilPhaseIdx, C15Idx, 0.15);
fluidState.setMoleFraction(oilPhaseIdx, C20Idx, 0.05);
//makeOilSaturated<Scalar, FluidSystem>(fluidState, gasFluidState);
// set the saturations and pressures of the other phases
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (phaseIdx != oilPhaseIdx) {
fluidState.setSaturation(phaseIdx, 0.0);
fluidState.setPressure(phaseIdx, fluidState.pressure(oilPhaseIdx));
}
// initial guess for the composition (needed by the ComputeFromReferencePhase
// constraint solver. TODO: bug in ComputeFromReferencePhase?)
guessInitial<FluidSystem>(fluidState, phaseIdx);
}
typedef Opm::ComputeFromReferencePhase<Scalar, FluidSystem> CFRP;
CFRP::solve(fluidState,
paramCache,
/*refPhaseIdx=*/oilPhaseIdx,
/*setViscosity=*/false,
/*setEnthalpy=*/false);
////////////
// Calculate the total molarities of the components
////////////
ComponentVector totalMolarities;
for (unsigned compIdx = 0; compIdx < numComponents; ++ compIdx)
totalMolarities[compIdx] = fluidState.saturation(oilPhaseIdx)*fluidState.molarity(oilPhaseIdx, compIdx);
////////////
// Gradually increase the volume for and calculate the gas
// formation factor, oil formation volume factor and gas formation
// volume factor.
////////////
FluidState flashFluidState, surfaceFluidState;
flashFluidState.assign(fluidState);
//Flash::guessInitial(flashFluidState, totalMolarities);
Flash::template solve<MaterialLaw>(flashFluidState, matParams, paramCache, totalMolarities);
Scalar surfaceAlpha = 1;
surfaceAlpha = bringOilToSurface<Scalar, FluidSystem>(surfaceFluidState, surfaceAlpha, flashFluidState, /*guessInitial=*/true);
Scalar rho_gRef = surfaceFluidState.density(gasPhaseIdx);
Scalar rho_oRef = surfaceFluidState.density(oilPhaseIdx);
std::vector<std::array<Scalar, 10> > resultTable;
Scalar minAlpha = 0.98;
Scalar maxAlpha = surfaceAlpha;
std::cout << "alpha[-] p[Pa] S_g[-] rho_o[kg/m^3] rho_g[kg/m^3] <M_o>[kg/mol] <M_g>[kg/mol] R_s[m^3/m^3] B_g[-] B_o[-]\n";
int n = 300;
for (int i = 0; i < n; ++i) {
// ratio between the original and the current volume
Scalar alpha = minAlpha + (maxAlpha - minAlpha)*i/(n - 1);
// increasing the volume means decreasing the molartity
ComponentVector curTotalMolarities = totalMolarities;
curTotalMolarities /= alpha;
// "flash" the modified reservoir oil
Flash::template solve<MaterialLaw>(flashFluidState, matParams, paramCache, curTotalMolarities);
surfaceAlpha = bringOilToSurface<Scalar, FluidSystem>(surfaceFluidState,
surfaceAlpha,
flashFluidState,
/*guessInitial=*/false);
Scalar Rs =
surfaceFluidState.saturation(gasPhaseIdx)
/ surfaceFluidState.saturation(oilPhaseIdx);
std::cout << alpha << " "
<< flashFluidState.pressure(oilPhaseIdx) << " "
<< flashFluidState.saturation(gasPhaseIdx) << " "
<< flashFluidState.density(oilPhaseIdx) << " "
<< flashFluidState.density(gasPhaseIdx) << " "
<< flashFluidState.averageMolarMass(oilPhaseIdx) << " "
<< flashFluidState.averageMolarMass(gasPhaseIdx) << " "
<< Rs << " "
<< rho_gRef/flashFluidState.density(gasPhaseIdx) << " "
<< rho_oRef/flashFluidState.density(oilPhaseIdx) << " "
<< "\n";
std::array<Scalar, 10> tmp;
tmp[0] = alpha;
tmp[1] = flashFluidState.pressure(oilPhaseIdx);
tmp[2] = flashFluidState.saturation(gasPhaseIdx);
tmp[3] = flashFluidState.density(oilPhaseIdx);
tmp[4] = flashFluidState.density(gasPhaseIdx);
tmp[5] = flashFluidState.averageMolarMass(oilPhaseIdx);
tmp[6] = flashFluidState.averageMolarMass(gasPhaseIdx);
tmp[7] = Rs;
tmp[8] = rho_gRef/flashFluidState.density(gasPhaseIdx);
tmp[9] = rho_oRef/flashFluidState.density(oilPhaseIdx);
resultTable.push_back(tmp);
}
std::cout << "reference density oil [kg/m^3]: " << rho_oRef << "\n";
std::cout << "reference density gas [kg/m^3]: " << rho_gRef << "\n";
Scalar hiresThresholdPressure = resultTable[20][1];
printResult(resultTable,
"Bg", /*firstIdx=*/1, /*secondIdx=*/8,
/*hiresThreshold=*/hiresThresholdPressure);
printResult(resultTable,
"Bo", /*firstIdx=*/1, /*secondIdx=*/9,
/*hiresThreshold=*/hiresThresholdPressure);
printResult(resultTable,
"Rs", /*firstIdx=*/1, /*secondIdx=*/7,
/*hiresThreshold=*/hiresThresholdPressure);
}
void testChiFlash()
{
using Scalar = double;
typedef Opm::Spe5FluidSystem<Scalar> FluidSystem;
using FluidSystem = Opm::TwoPhaseThreeComponentFluidSystem<Scalar>;
enum {
numPhases = FluidSystem::numPhases,
waterPhaseIdx = FluidSystem::waterPhaseIdx,
gasPhaseIdx = FluidSystem::gasPhaseIdx,
oilPhaseIdx = FluidSystem::oilPhaseIdx,
numComponents = FluidSystem::numComponents,
H2OIdx = FluidSystem::H2OIdx,
C1Idx = FluidSystem::C1Idx,
C3Idx = FluidSystem::C3Idx,
C6Idx = FluidSystem::C6Idx,
C10Idx = FluidSystem::C10Idx,
C15Idx = FluidSystem::C15Idx,
C20Idx = FluidSystem::C20Idx
};
//typedef Opm::NcpFlash<Scalar, FluidSystem> Flash;
constexpr auto numComponents = FluidSystem::numComponents;
typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
typedef Opm::CompositionalFluidState<Scalar, FluidSystem> FluidState;
typedef Opm::ThreePhaseMaterialTraits<Scalar, waterPhaseIdx, oilPhaseIdx, gasPhaseIdx> MaterialTraits;
typedef Opm::LinearMaterial<MaterialTraits> MaterialLaw;
typedef typename MaterialLaw::Params MaterialLawParams;