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Merge pull request #868 from totto82/massFractionDiffusion

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Add mass fraction diffusion coefficients
This commit is contained in:
Tor Harald Sandve 2024-02-05 08:48:40 +01:00 committed by GitHub
commit 4c8d6b5a22
1 changed files with 56 additions and 10 deletions
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66
opm/models/blackoil/blackoildiffusionmodule.hh
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@ -61,6 +61,16 @@ class BlackOilDiffusionModule<TypeTag, /*enableDiffusion=*/false>
using RateVector = GetPropType<TypeTag, Properties::RateVector>;
public:
#if HAVE_ECL_INPUT
/*!
* \brief Initialize all internal data structures needed by the diffusion module
*/
static void initFromState(const EclipseState&)
{
}
#endif
/*!
* \brief Register all run-time parameters for the diffusion module.
*/
@ -99,6 +109,18 @@ class BlackOilDiffusionModule<TypeTag, /*enableDiffusion=*/true>
public:
using ExtensiveQuantities = BlackOilDiffusionExtensiveQuantities<TypeTag,true>;
#if HAVE_ECL_INPUT
/*!
* \brief Initialize all internal data structures needed by the diffusion module
*/
static void initFromState(const EclipseState& eclState)
{
use_mole_fraction_ = eclState.getTableManager().diffMoleFraction();
}
#endif
/*!
* \brief Register all run-time parameters for the diffusion module.
*/
@ -107,7 +129,25 @@ public:
/*!
* \brief Adds the mass flux due to molecular diffusion to the flux vector over the
* flux integration point.
* integration point. Following the notation in blackoilmodel.hh,
* the diffusive flux for component \f$\kappa\f$ in phase \f$\alpha\f$
* is given by: \f$-\phi b_\alpha S_\alpha D \mathbf{grad}X_\alpha^\kappa\f$,
* where \f$b_\alpha\f$ is the shrinkage/expansion factor [-],
* \f$S_\alpha\f$ is the saturation [-] D is the diffusion coefficient [L/T^2]
* and \f$X_\alpha^\kappa\f$ the component mass fraction [-] or molar fraction [-],
* depending on the input use_mole_fraction_ (default true)
* Each component mass/molar fraction can be computed using \f$R_s,\;R_v,\;R_{sw},\;R_{vw}\f$.
* For example the mass fraction are given by,
* \f$X_w^G=\frac{R_{sw}}{R_{sw}+\rho_w/\rho_g}\f$, where \f$\rho_w\f$ and \f$\rho_g\f$
* are the reference densities.
* Considering the water phase and gas component as an example, for cells i and j, the discrete version
* of the diffusive flux at the face's integration point is given by
* \f$-b_{w,ij}S_{w,ij}D_{w,ij}(\frac{1}{R_{sw,ij}+\rho_w/\rho_g})DT_{ij}(R_{sw,i}-R_{sw,j})\f$
* where \f$b_{w,ij}\f$, \f$S_{w,ij}\f$, \f$D_{w,ij}\f$, and \f$R_{sw,ij}\f$ are computed using the arithmetic mean, and
* the ratio \f$\frac{1}{R_{sw,ij}+\rho_w/\rho_g}\f$ is denoted as conversion factor. The diffusivity
* \f$DT_{ij}\f$ is computed in ecltransmissibility_impl.hh, using the cells porosity, face area and distance between
* cell center and the integration point.
* For mol fraction the convertion factor is given by \f$\frac{1}{R_{sw,ij}+(Mm_g\rho_w)/(Mm_w\rho_g)}\f$
*/
template <class Context>
static void addDiffusiveFlux(RateVector& flux, const Context& context,
@ -159,17 +199,17 @@ public:
Evaluation diffR = 0.0;
if (FluidSystem::enableDissolvedGas() && FluidSystem::phaseIsActive(FluidSystem::gasPhaseIdx) && phaseIdx == FluidSystem::oilPhaseIdx) {
Evaluation rsAvg = (fluidStateI.Rs() + Toolbox::value(fluidStateJ.Rs())) / 2;
convFactor = 1.0 / (toMolFractionGasOil(pvtRegionIndex) + rsAvg);
convFactor = 1.0 / (toFractionGasOil(pvtRegionIndex) + rsAvg);
diffR = fluidStateI.Rs() - Toolbox::value(fluidStateJ.Rs());
}
if (FluidSystem::enableVaporizedOil() && FluidSystem::phaseIsActive(FluidSystem::oilPhaseIdx) && phaseIdx == FluidSystem::gasPhaseIdx) {
Evaluation rvAvg = (fluidStateI.Rv() + Toolbox::value(fluidStateJ.Rv())) / 2;
convFactor = toMolFractionGasOil(pvtRegionIndex) / (1.0 + rvAvg*toMolFractionGasOil(pvtRegionIndex));
convFactor = toFractionGasOil(pvtRegionIndex) / (1.0 + rvAvg*toFractionGasOil(pvtRegionIndex));
diffR = fluidStateI.Rv() - Toolbox::value(fluidStateJ.Rv());
}
if (FluidSystem::enableDissolvedGasInWater() && phaseIdx == FluidSystem::waterPhaseIdx) {
Evaluation rsAvg = (fluidStateI.Rsw() + Toolbox::value(fluidStateJ.Rsw())) / 2;
convFactor = 1.0 / (toMolFractionGasWater(pvtRegionIndex) + rsAvg);
convFactor = 1.0 / (toFractionGasWater(pvtRegionIndex) + rsAvg);
diffR = fluidStateI.Rsw() - Toolbox::value(fluidStateJ.Rsw());
}
@ -196,22 +236,28 @@ public:
}
private:
static Scalar toMolFractionGasOil (unsigned regionIdx) {
Scalar mMOil = FluidSystem::molarMass(FluidSystem::oilCompIdx, regionIdx);
static Scalar toFractionGasOil (unsigned regionIdx) {
Scalar mMOil = use_mole_fraction_? FluidSystem::molarMass(FluidSystem::oilCompIdx, regionIdx) : 1;
Scalar rhoO = FluidSystem::referenceDensity(FluidSystem::oilPhaseIdx, regionIdx);
Scalar mMGas = FluidSystem::molarMass(FluidSystem::gasCompIdx, regionIdx);
Scalar mMGas = use_mole_fraction_? FluidSystem::molarMass(FluidSystem::gasCompIdx, regionIdx) : 1;
Scalar rhoG = FluidSystem::referenceDensity(FluidSystem::gasPhaseIdx, regionIdx);
return rhoO * mMGas / (rhoG * mMOil);
}
static Scalar toMolFractionGasWater (unsigned regionIdx) {
Scalar mMWater = FluidSystem::molarMass(FluidSystem::waterCompIdx, regionIdx);
static Scalar toFractionGasWater (unsigned regionIdx) {
Scalar mMWater = use_mole_fraction_? FluidSystem::molarMass(FluidSystem::waterCompIdx, regionIdx) : 1;
Scalar rhoW = FluidSystem::referenceDensity(FluidSystem::waterPhaseIdx, regionIdx);
Scalar mMGas = FluidSystem::molarMass(FluidSystem::gasCompIdx, regionIdx);
Scalar mMGas = use_mole_fraction_? FluidSystem::molarMass(FluidSystem::gasCompIdx, regionIdx) : 1;
Scalar rhoG = FluidSystem::referenceDensity(FluidSystem::gasPhaseIdx, regionIdx);
return rhoW * mMGas / (rhoG * mMWater);
}
static bool use_mole_fraction_;
};
template <typename TypeTag>
bool
BlackOilDiffusionModule<TypeTag, true>::use_mole_fraction_;
/*!
* \ingroup Diffusion
* \class Opm::BlackOilDiffusionIntensiveQuantities