static Scalar heatCapacity(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
if(phaseIdx == lPhaseIdx)
return H2O::liquidHeatCapacity(fluidState.temperature(phaseIdx),
fluidState.pressure(phaseIdx));
else
return CO2::gasHeatCapacity(fluidState.temperature(phaseIdx),
fluidState.pressure(phaseIdx));
}
void assign(const FluidState& fs)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
temperature_ = FsToolbox::template decay<Scalar>(fs.temperature(/*phaseIdx=*/0));
#ifndef NDEBUG
typedef Opm::MathToolbox<Scalar> Toolbox;
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
assert(std::abs(FsToolbox::scalarValue(fs.temperature(phaseIdx))
- Toolbox::scalarValue(temperature_)) < 1e-30);
}
#endif
}
static Scalar enthalpy(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
Valgrind::CheckDefined(T);
Valgrind::CheckDefined(p);
if (phaseIdx == lPhaseIdx)
{
// TODO: correct way to deal with the solutes???
return H2O::liquidEnthalpy(T, p);
}
else if (phaseIdx == gPhaseIdx)
{
Scalar result = 0.0;
result +=
H2O::gasEnthalpy(T, p) *
fluidState.massFraction(gPhaseIdx, H2OIdx);
result +=
Air::gasEnthalpy(T, p) *
fluidState.massFraction(gPhaseIdx, AirIdx);
return result;
}
OPM_THROW(std::logic_error, "Invalid phase index " << phaseIdx);
}
static LhsEval enthalpy(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
Valgrind::CheckDefined(T);
Valgrind::CheckDefined(p);
if (phaseIdx == liquidPhaseIdx)
{
// TODO: correct way to deal with the solutes???
return H2O::liquidEnthalpy(T, p);
}
else if (phaseIdx == gasPhaseIdx)
{
LhsEval result = 0.0;
result +=
H2O::gasEnthalpy(T, p) *
FsToolbox::template toLhs<LhsEval>(fluidState.massFraction(gasPhaseIdx, H2OIdx));
result +=
Air::gasEnthalpy(T, p) *
FsToolbox::template toLhs<LhsEval>(fluidState.massFraction(gasPhaseIdx, AirIdx));
return result;
}
OPM_THROW(std::logic_error, "Invalid phase index " << phaseIdx);
}
static Scalar enthalpy(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx) {
Scalar XlCO2 = fluidState.massFraction(phaseIdx, CO2Idx);
Scalar result = liquidEnthalpyBrineCO2_(temperature,
pressure,
Brine_IAPWS::salinity,
XlCO2);
Valgrind::CheckDefined(result);
return result;
}
else {
Scalar XCO2 = fluidState.massFraction(gPhaseIdx, CO2Idx);
Scalar XBrine = fluidState.massFraction(gPhaseIdx, BrineIdx);
Scalar result = 0;
result += XBrine * Brine::gasEnthalpy(temperature, pressure);
result += XCO2 * CO2::gasEnthalpy(temperature, pressure);
Valgrind::CheckDefined(result);
return result;
}
}
void checkImmiscibleFlash(const FluidState &fsRef,
typename MaterialLaw::Params &matParams)
{
enum { numPhases = FluidSystem::numPhases };
enum { numComponents = FluidSystem::numComponents };
typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
// calculate the total amount of stuff in the reference fluid
// phase
ComponentVector globalMolarities(0.0);
for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
globalMolarities[compIdx] +=
fsRef.saturation(phaseIdx)*fsRef.molarity(phaseIdx, compIdx);
}
}
// initialize the fluid state for the flash calculation
typedef Opm::ImmiscibleFlash<Scalar, FluidSystem> ImmiscibleFlash;
FluidState fsFlash;
fsFlash.setTemperature(fsRef.temperature(/*phaseIdx=*/0));
// run the flash calculation
typename FluidSystem::ParameterCache paramCache;
ImmiscibleFlash::guessInitial(fsFlash, paramCache, globalMolarities);
ImmiscibleFlash::template solve<MaterialLaw>(fsFlash, paramCache, matParams, globalMolarities);
// compare the "flashed" fluid state with the reference one
checkSame<Scalar>(fsRef, fsFlash);
}
static Scalar thermalConductivity(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar temperature = fluidState.temperature(phaseIdx) ;
Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx){// liquid phase
return H2O::liquidThermalConductivity(temperature, pressure);
}
else{// gas phase
Scalar lambdaDryAir = Air::gasThermalConductivity(temperature, pressure);
if (useComplexRelations){
Scalar xAir = fluidState.moleFraction(phaseIdx, AirIdx);
Scalar xH2O = fluidState.moleFraction(phaseIdx, H2OIdx);
Scalar lambdaAir = xAir * lambdaDryAir;
// Assuming Raoult's, Daltons law and ideal gas
// in order to obtain the partial density of water in the air phase
Scalar partialPressure = pressure * xH2O;
Scalar lambdaH2O =
xH2O
* H2O::gasThermalConductivity(temperature, partialPressure);
return lambdaAir + lambdaH2O;
}
else
return lambdaDryAir; // conductivity of Nitrogen [W / (m K ) ]
}
}
static LhsEval heatCapacity(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
assert(0 <= phaseIdx && phaseIdx < numPhases);
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
return Fluid::heatCapacity(T, p);
}
static LhsEval thermalConductivity(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
assert(0 <= phaseIdx && phaseIdx < numPhases);
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
return Fluid::thermalConductivity(T, p);
}
static Scalar diffusionCoefficient(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx,
int compIdx)
{
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx)
return BinaryCoeffBrineCO2::liquidDiffCoeff(temperature, pressure);
assert(phaseIdx == gPhaseIdx);
return BinaryCoeffBrineCO2::gasDiffCoeff(temperature, pressure);
}
static Scalar binaryDiffusionCoefficient(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx,
int compIdx)
{
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx)
return BinaryCoeff::H2O_Air::liquidDiffCoeff(T, p);
assert(phaseIdx == gPhaseIdx);
return BinaryCoeff::H2O_Air::gasDiffCoeff(T, p);
}
static Scalar fugacityCoefficient(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx,
int compIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
assert(0 <= compIdx && compIdx < numComponents);
if (phaseIdx == gPhaseIdx)
// use the fugacity coefficients of an ideal gas. the
// actual value of the fugacity is not relevant, as long
// as the relative fluid compositions are observed,
return 1.0;
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
assert(temperature > 0);
assert(pressure > 0);
// calulate the equilibrium composition for the given
// temperature and pressure. TODO: calculateMoleFractions()
// could use some cleanup.
Scalar xlH2O, xgH2O;
Scalar xlCO2, xgCO2;
BinaryCoeffBrineCO2::calculateMoleFractions(temperature,
pressure,
Brine_IAPWS::salinity,
/*knownPhaseIdx=*/-1,
xlCO2,
xgH2O);
// normalize the phase compositions
xlCO2 = std::max(0.0, std::min(1.0, xlCO2));
xgH2O = std::max(0.0, std::min(1.0, xgH2O));
xlH2O = 1.0 - xlCO2;
xgCO2 = 1.0 - xgH2O;
if (compIdx == BrineIdx) {
Scalar phigH2O = 1.0;
return phigH2O * xgH2O / xlH2O;
}
else {
assert(compIdx == CO2Idx);
Scalar phigCO2 = 1.0;
return phigCO2 * xgCO2 / xlCO2;
};
}
static LhsEval binaryDiffusionCoefficient(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx,
unsigned /*compIdx*/)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
if (phaseIdx == liquidPhaseIdx)
return BinaryCoeff::H2O_Air::liquidDiffCoeff(T, p);
assert(phaseIdx == gasPhaseIdx);
return BinaryCoeff::H2O_Air::gasDiffCoeff(T, p);
}
static Scalar density(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx) {
// use normalized composition for to calculate the density
// (the relations don't seem to take non-normalized
// compositions too well...)
Scalar xlBrine = std::min(1.0, std::max(0.0, fluidState.moleFraction(lPhaseIdx, BrineIdx)));
Scalar xlCO2 = std::min(1.0, std::max(0.0, fluidState.moleFraction(lPhaseIdx, CO2Idx)));
Scalar sumx = xlBrine + xlCO2;
xlBrine /= sumx;
xlCO2 /= sumx;
Scalar result = liquidDensity_(temperature,
pressure,
xlBrine,
xlCO2);
Valgrind::CheckDefined(result);
return result;
}
assert(phaseIdx == gPhaseIdx);
// use normalized composition for to calculate the density
// (the relations don't seem to take non-normalized
// compositions too well...)
Scalar xgBrine = std::min(1.0, std::max(0.0, fluidState.moleFraction(gPhaseIdx, BrineIdx)));
Scalar xgCO2 = std::min(1.0, std::max(0.0, fluidState.moleFraction(gPhaseIdx, CO2Idx)));
Scalar sumx = xgBrine + xgCO2;
xgBrine /= sumx;
xgCO2 /= sumx;
Scalar result = gasDensity_(temperature,
pressure,
xgBrine,
xgCO2);
Valgrind::CheckDefined(result);
return result;
}
static Scalar fugacityCoefficient(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx,
int compIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
assert(0 <= compIdx && compIdx < numComponents);
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx) {
if (compIdx == H2OIdx)
return H2O::vaporPressure(T)/p;
return Opm::BinaryCoeff::H2O_Air::henry(T)/p;
}
// for the gas phase, assume an ideal gas when it comes to
// fugacity (-> fugacity == partial pressure)
return 1.0;
}
void assign(const FluidState& fs)
{
if (enableTemperature || enableEnergy)
setTemperature(fs.temperature(/*phaseIdx=*/0));
unsigned pvtRegionIdx = getPvtRegionIndex_<FluidState>(fs);
setPvtRegionIndex(pvtRegionIdx);
setRs(Opm::BlackOil::getRs_<FluidSystem, FluidState, Scalar>(fs, pvtRegionIdx));
setRv(Opm::BlackOil::getRv_<FluidSystem, FluidState, Scalar>(fs, pvtRegionIdx));
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
setSaturation(phaseIdx, fs.saturation(phaseIdx));
setPressure(phaseIdx, fs.pressure(phaseIdx));
setDensity(phaseIdx, fs.density(phaseIdx));
if (enableEnergy)
setEnthalpy(phaseIdx, fs.enthalpy(phaseIdx));
setInvB(phaseIdx, getInvB_<FluidSystem, FluidState, Scalar>(fs, phaseIdx, pvtRegionIdx));
}
}
static Scalar viscosity(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx) {
// assume pure brine for the liquid phase. TODO: viscosity
// of mixture
Scalar result = Brine::liquidViscosity(temperature, pressure);
Valgrind::CheckDefined(result);
return result;
}
assert(phaseIdx == gPhaseIdx);
Scalar result = CO2::gasViscosity(temperature, pressure);
Valgrind::CheckDefined(result);
return result;
}
static Scalar fugacityCoefficient(const FluidState &fluidState,
const ParameterCache ¶mCache,
unsigned phaseIdx,
unsigned compIdx)
{
assert(0 <= phaseIdx && phaseIdx <= numPhases);
assert(0 <= compIdx && compIdx <= numComponents);
static_assert(std::is_same<Evaluation, Scalar>::value,
"The SPE-5 fluid system is currently only implemented for the scalar case.");
if (phaseIdx == oilPhaseIdx || phaseIdx == gasPhaseIdx)
return PengRobinsonMixture::computeFugacityCoefficient(fluidState,
paramCache,
phaseIdx,
compIdx);
else {
assert(phaseIdx == waterPhaseIdx);
return
henryCoeffWater_(compIdx, fluidState.temperature(waterPhaseIdx))
/ fluidState.pressure(waterPhaseIdx);
}
}
static LhsEval fugacityCoefficient(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx,
unsigned compIdx)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
assert(0 <= phaseIdx && phaseIdx < numPhases);
assert(0 <= compIdx && compIdx < numComponents);
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
if (phaseIdx == liquidPhaseIdx) {
if (compIdx == H2OIdx)
return H2O::vaporPressure(T)/p;
return Opm::BinaryCoeff::H2O_Air::henry(T)/p;
}
// for the gas phase, assume an ideal gas when it comes to
// fugacity (-> fugacity == partial pressure)
return 1.0;
}
static LhsEval thermalConductivity(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx)
{
typedef MathToolbox<typename FluidState::Scalar> FsToolbox;
assert(0 <= phaseIdx && phaseIdx < numPhases);
const LhsEval& temperature =
FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const LhsEval& pressure =
FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
if (phaseIdx == liquidPhaseIdx)
return H2O::liquidThermalConductivity(temperature, pressure);
else { // gas phase
const LhsEval& lambdaDryAir = Air::gasThermalConductivity(temperature, pressure);
if (useComplexRelations){
const LhsEval& xAir =
FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, AirIdx));
const LhsEval& xH2O =
FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, H2OIdx));
LhsEval lambdaAir = xAir*lambdaDryAir;
// Assuming Raoult's, Daltons law and ideal gas
// in order to obtain the partial density of water in the air phase
LhsEval partialPressure = pressure*xH2O;
LhsEval lambdaH2O =
xH2O*H2O::gasThermalConductivity(temperature, partialPressure);
return lambdaAir + lambdaH2O;
}
else
return lambdaDryAir; // conductivity of Nitrogen [W / (m K ) ]
}
}
/*!
* \brief Constructor
*
* The overlay fluid state copies the temperature from the first
* fluid phase of the argument, so it initially behaves exactly
* like the underlying fluid state, provided that the underlying
* fluid state is in thermal equilibrium.
*/
TemperatureOverlayFluidState(const FluidState &fs)
: fs_(&fs)
{
temperature_ = fs.temperature(/*phaseIdx=*/0);
}
static Scalar viscosity(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
if (phaseIdx == lPhaseIdx)
{
// assume pure water for the liquid phase
// TODO: viscosity of mixture
// couldn't find a way to solve the mixture problem
return H2O::liquidViscosity(T, p);
}
else if (phaseIdx == gPhaseIdx)
{
if(!useComplexRelations){
return Air::gasViscosity(T, p);
}
else //using a complicated version of this fluid system
{
/* Wilke method. See:
*
* See: R. Reid, et al.: The Properties of Gases and Liquids,
* 4th edition, McGraw-Hill, 1987, 407-410 or
* 5th edition, McGraw-Hill, 2000, p. 9.21/22
*
*/
Scalar muResult = 0;
const Scalar mu[numComponents] = {
H2O::gasViscosity(T,
H2O::vaporPressure(T)),
Air::gasViscosity(T, p)
};
// molar masses
const Scalar M[numComponents] = {
H2O::molarMass(),
Air::molarMass()
};
for (int i = 0; i < numComponents; ++i)
{
Scalar divisor = 0;
for (int j = 0; j < numComponents; ++j)
{
Scalar phiIJ = 1 + std::sqrt(mu[i]/mu[j]) * // 1 + (mu[i]/mu[j]^1/2
std::pow(M[j]/M[i], 1./4.0); // (M[i]/M[j])^1/4
phiIJ *= phiIJ;
phiIJ /= std::sqrt(8*(1 + M[i]/M[j]));
divisor += fluidState.moleFraction(phaseIdx, j)*phiIJ;
}
muResult += fluidState.moleFraction(phaseIdx, i)*mu[i] / divisor;
}
return muResult;
}
}
OPM_THROW(std::logic_error, "Invalid phase index " << phaseIdx);
}
static Scalar density(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar T = fluidState.temperature(phaseIdx);
Scalar p;
if (isCompressible(phaseIdx))
p = fluidState.pressure(phaseIdx);
else {
// random value which will hopefully cause things to blow
// up if it is used in a calculation!
p = - 1e100;
Valgrind::SetUndefined(p);
}
Scalar sumMoleFrac = 0;
for (int compIdx = 0; compIdx < numComponents; ++compIdx)
sumMoleFrac += fluidState.moleFraction(phaseIdx, compIdx);
if (phaseIdx == lPhaseIdx)
{
if (!useComplexRelations)
// assume pure water
return H2O::liquidDensity(T, p);
else
{
// See: Ochs 2008 (2.6)
Scalar rholH2O = H2O::liquidDensity(T, p);
Scalar clH2O = rholH2O/H2O::molarMass();
return
clH2O
* (H2O::molarMass()*fluidState.moleFraction(lPhaseIdx, H2OIdx)
+
Air::molarMass()*fluidState.moleFraction(lPhaseIdx, AirIdx))
/ sumMoleFrac;
}
}
else if (phaseIdx == gPhaseIdx)
{
if (!useComplexRelations)
// for the gas phase assume an ideal gas
return
IdealGas::molarDensity(T, p)
* fluidState.averageMolarMass(gPhaseIdx)
/ std::max(1e-5, sumMoleFrac);
Scalar partialPressureH2O =
fluidState.moleFraction(gPhaseIdx, H2OIdx) *
fluidState.pressure(gPhaseIdx);
Scalar partialPressureAir =
fluidState.moleFraction(gPhaseIdx, AirIdx) *
fluidState.pressure(gPhaseIdx);
return
H2O::gasDensity(T, partialPressureH2O) +
Air::gasDensity(T, partialPressureAir);
}
OPM_THROW(std::logic_error, "Invalid phase index " << phaseIdx);
}
static LhsEval density(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx)
{
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
typedef Opm::MathToolbox<LhsEval> LhsToolbox;
assert(0 <= phaseIdx && phaseIdx < numPhases);
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
LhsEval p;
if (isCompressible(phaseIdx))
p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
else {
// random value which will hopefully cause things to blow
// up if it is used in a calculation!
p = - 1e100;
Valgrind::SetUndefined(p);
}
LhsEval sumMoleFrac = 0;
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx)
sumMoleFrac += FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, compIdx));
if (phaseIdx == liquidPhaseIdx)
{
if (!useComplexRelations)
// assume pure water
return H2O::liquidDensity(T, p);
else
{
// See: Ochs 2008 (2.6)
const LhsEval& rholH2O = H2O::liquidDensity(T, p);
const LhsEval& clH2O = rholH2O/H2O::molarMass();
const auto& xlH2O = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(liquidPhaseIdx, H2OIdx));
const auto& xlAir = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(liquidPhaseIdx, AirIdx));
return clH2O*(H2O::molarMass()*xlH2O + Air::molarMass()*xlAir)/sumMoleFrac;
}
}
else if (phaseIdx == gasPhaseIdx)
{
if (!useComplexRelations)
// for the gas phase assume an ideal gas
return
IdealGas::molarDensity(T, p)
* FsToolbox::template toLhs<LhsEval>(fluidState.averageMolarMass(gasPhaseIdx))
/ LhsToolbox::max(1e-5, sumMoleFrac);
LhsEval partialPressureH2O =
FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(gasPhaseIdx, H2OIdx))
*FsToolbox::template toLhs<LhsEval>(fluidState.pressure(gasPhaseIdx));
LhsEval partialPressureAir =
FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(gasPhaseIdx, AirIdx))
*FsToolbox::template toLhs<LhsEval>(fluidState.pressure(gasPhaseIdx));
return H2O::gasDensity(T, partialPressureH2O) + Air::gasDensity(T, partialPressureAir);
}
OPM_THROW(std::logic_error, "Invalid phase index " << phaseIdx);
}
static LhsEval viscosity(const FluidState &fluidState,
const ParameterCache &/*paramCache*/,
unsigned phaseIdx)
{
typedef Opm::MathToolbox<LhsEval> LhsToolbox;
typedef Opm::MathToolbox<typename FluidState::Scalar> FsToolbox;
assert(0 <= phaseIdx && phaseIdx < numPhases);
const auto& T = FsToolbox::template toLhs<LhsEval>(fluidState.temperature(phaseIdx));
const auto& p = FsToolbox::template toLhs<LhsEval>(fluidState.pressure(phaseIdx));
if (phaseIdx == liquidPhaseIdx)
{
// assume pure water for the liquid phase
// TODO: viscosity of mixture
// couldn't find a way to solve the mixture problem
return H2O::liquidViscosity(T, p);
}
else if (phaseIdx == gasPhaseIdx)
{
if(!useComplexRelations){
return Air::gasViscosity(T, p);
}
else //using a complicated version of this fluid system
{
/* Wilke method. See:
*
* See: R. Reid, et al.: The Properties of Gases and Liquids,
* 4th edition, McGraw-Hill, 1987, 407-410 or
* 5th edition, McGraw-Hill, 2000, p. 9.21/22
*
*/
LhsEval muResult = 0;
const LhsEval mu[numComponents] = {
H2O::gasViscosity(T, H2O::vaporPressure(T)),
Air::gasViscosity(T, p)
};
// molar masses
const Scalar M[numComponents] = {
H2O::molarMass(),
Air::molarMass()
};
for (unsigned i = 0; i < numComponents; ++i) {
LhsEval divisor = 0;
for (unsigned j = 0; j < numComponents; ++j) {
LhsEval phiIJ =
1 +
LhsToolbox::sqrt(mu[i]/mu[j]) * // 1 + (mu[i]/mu[j]^1/2
std::pow(M[j]/M[i], 1./4.0); // (M[i]/M[j])^1/4
phiIJ *= phiIJ;
phiIJ /= std::sqrt(8*(1 + M[i]/M[j]));
divisor += FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, j))*phiIJ;
}
const auto& xAlphaI = FsToolbox::template toLhs<LhsEval>(fluidState.moleFraction(phaseIdx, i));
muResult += xAlphaI*mu[i]/divisor;
}
return muResult;
}
}
OPM_THROW(std::logic_error, "Invalid phase index " << phaseIdx);
}
static void solve(FluidState &fluidState,
ParameterCache ¶mCache,
int phaseIdx,
const ComponentVector &targetFug)
{
typedef MathToolbox<Evaluation> Toolbox;
// use a much more efficient method in case the phase is an
// ideal mixture
if (FluidSystem::isIdealMixture(phaseIdx)) {
solveIdealMix_(fluidState, paramCache, phaseIdx, targetFug);
return;
}
//Dune::FMatrixPrecision<Scalar>::set_singular_limit(1e-25);
// save initial composition in case something goes wrong
Dune::FieldVector<Evaluation, numComponents> xInit;
for (int i = 0; i < numComponents; ++i) {
xInit[i] = fluidState.moleFraction(phaseIdx, i);
}
/////////////////////////
// Newton method
/////////////////////////
// Jacobian matrix
Dune::FieldMatrix<Evaluation, numComponents, numComponents> J;
// solution, i.e. phase composition
Dune::FieldVector<Evaluation, numComponents> x;
// right hand side
Dune::FieldVector<Evaluation, numComponents> b;
paramCache.updatePhase(fluidState, phaseIdx);
// maximum number of iterations
const int nMax = 25;
for (int nIdx = 0; nIdx < nMax; ++nIdx) {
// calculate Jacobian matrix and right hand side
linearize_(J, b, fluidState, paramCache, phaseIdx, targetFug);
Valgrind::CheckDefined(J);
Valgrind::CheckDefined(b);
/*
std::cout << FluidSystem::phaseName(phaseIdx) << "Phase composition: ";
for (int i = 0; i < FluidSystem::numComponents; ++i)
std::cout << fluidState.moleFraction(phaseIdx, i) << " ";
std::cout << "\n";
std::cout << FluidSystem::phaseName(phaseIdx) << "Phase phi: ";
for (int i = 0; i < FluidSystem::numComponents; ++i)
std::cout << fluidState.fugacityCoefficient(phaseIdx, i) << " ";
std::cout << "\n";
*/
// Solve J*x = b
x = Toolbox::createConstant(0.0);
try { J.solve(x, b); }
catch (Dune::FMatrixError e)
{ throw Opm::NumericalIssue(e.what()); }
//std::cout << "original delta: " << x << "\n";
Valgrind::CheckDefined(x);
/*
std::cout << FluidSystem::phaseName(phaseIdx) << "Phase composition: ";
for (int i = 0; i < FluidSystem::numComponents; ++i)
std::cout << fluidState.moleFraction(phaseIdx, i) << " ";
std::cout << "\n";
std::cout << "J: " << J << "\n";
std::cout << "rho: " << fluidState.density(phaseIdx) << "\n";
std::cout << "delta: " << x << "\n";
std::cout << "defect: " << b << "\n";
std::cout << "J: " << J << "\n";
std::cout << "---------------------------\n";
*/
// update the fluid composition. b is also used to store
// the defect for the next iteration.
Scalar relError = update_(fluidState, paramCache, x, b, phaseIdx, targetFug);
if (relError < 1e-9) {
const Evaluation& rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
fluidState.setDensity(phaseIdx, rho);
//std::cout << "num iterations: " << nIdx << "\n";
return;
}
}
OPM_THROW(Opm::NumericalIssue,
"Calculating the " << FluidSystem::phaseName(phaseIdx)
<< "Phase composition failed. Initial {x} = {"
<< xInit
<< "}, {fug_t} = {" << targetFug << "}, p = " << fluidState.pressure(phaseIdx)
<< ", T = " << fluidState.temperature(phaseIdx));
}
void assign(const FluidState& fs)
{
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
temperature_[phaseIdx] = fs.temperature(phaseIdx);
}
}
void updatePure(const FluidState &fluidState)
{
updatePure(fluidState.temperature(phaseIdx),
fluidState.pressure(phaseIdx));
}
static Scalar computeFugacityCoefficient(const FluidState &fs,
const Params ¶ms,
int phaseIdx,
int compIdx)
{
// note that we normalize the component mole fractions, so
// that their sum is 100%. This increases numerical stability
// considerably if the fluid state is not physical.
Scalar Vm = params.molarVolume(phaseIdx);
// Calculate b_i / b
Scalar bi_b = params.bPure(phaseIdx, compIdx) / params.b(phaseIdx);
// Calculate the compressibility factor
Scalar RT = R*fs.temperature(phaseIdx);
Scalar p = fs.pressure(phaseIdx); // molar volume in [bar]
Scalar Z = p*Vm/RT; // compressibility factor
// Calculate A^* and B^* (see: Reid, p. 42)
Scalar Astar = params.a(phaseIdx)*p/(RT*RT);
Scalar Bstar = params.b(phaseIdx)*p/(RT);
// calculate delta_i (see: Reid, p. 145)
Scalar sumMoleFractions = 0.0;
for (int compJIdx = 0; compJIdx < numComponents; ++compJIdx)
sumMoleFractions += fs.moleFraction(phaseIdx, compJIdx);
Scalar deltai = 2*std::sqrt(params.aPure(phaseIdx, compIdx))/params.a(phaseIdx);
Scalar tmp = 0;
for (int compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
tmp +=
fs.moleFraction(phaseIdx, compJIdx)
/ sumMoleFractions
* std::sqrt(params.aPure(phaseIdx, compJIdx))
* (1.0 - StaticParameters::interactionCoefficient(compIdx, compJIdx));
};
deltai *= tmp;
Scalar base =
(2*Z + Bstar*(u + std::sqrt(u*u - 4*w))) /
(2*Z + Bstar*(u - std::sqrt(u*u - 4*w)));
Scalar expo = Astar/(Bstar*std::sqrt(u*u - 4*w))*(bi_b - deltai);
Scalar fugCoeff =
std::exp(bi_b*(Z - 1))/std::max(1e-9, Z - Bstar) *
std::pow(base, expo);
////////
// limit the fugacity coefficient to a reasonable range:
//
// on one side, we want the mole fraction to be at
// least 10^-3 if the fugacity is at the current pressure
//
fugCoeff = std::min(1e10, fugCoeff);
//
// on the other hand, if the mole fraction of the component is 100%, we want the
// fugacity to be at least 10^-3 Pa
//
fugCoeff = std::max(1e-10, fugCoeff);
///////////
return fugCoeff;
}
static void solve(FluidState &fluidState,
const typename MaterialLaw::Params &matParams,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
const Dune::FieldVector<typename FluidState::Scalar, numComponents>& globalMolarities,
Scalar tolerance = -1)
{
typedef typename FluidState::Scalar InputEval;
/////////////////////////
// Check if all fluid phases are incompressible
/////////////////////////
bool allIncompressible = true;
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (FluidSystem::isCompressible(phaseIdx)) {
allIncompressible = false;
break;
}
}
if (allIncompressible) {
// yes, all fluid phases are incompressible. in this case the flash solver
// can only determine the saturations, not the pressures. (but this
// determination is much simpler than a full flash calculation.)
paramCache.updateAll(fluidState);
solveAllIncompressible_(fluidState, paramCache, globalMolarities);
return;
}
typedef Dune::FieldMatrix<InputEval, numEq, numEq> Matrix;
typedef Dune::FieldVector<InputEval, numEq> Vector;
typedef Opm::LocalAd::Evaluation<InputEval, numEq> FlashEval;
typedef Dune::FieldVector<FlashEval, numEq> FlashDefectVector;
typedef Opm::ImmiscibleFluidState<FlashEval, FluidSystem> FlashFluidState;
Dune::FMatrixPrecision<InputEval>::set_singular_limit(1e-35);
if (tolerance <= 0)
tolerance = std::min<Scalar>(1e-5,
1e8*std::numeric_limits<Scalar>::epsilon());
typename FluidSystem::template ParameterCache<FlashEval> flashParamCache;
flashParamCache.assignPersistentData(paramCache);
/////////////////////////
// Newton method
/////////////////////////
// Jacobian matrix
Matrix J;
// solution, i.e. phase composition
Vector deltaX;
// right hand side
Vector b;
Valgrind::SetUndefined(J);
Valgrind::SetUndefined(deltaX);
Valgrind::SetUndefined(b);
FlashFluidState flashFluidState;
assignFlashFluidState_<MaterialLaw>(fluidState, flashFluidState, matParams, flashParamCache);
// copy the global molarities to a vector of evaluations. Remember that the
// global molarities are constants. (but we need to copy them to a vector of
// FlashEvals anyway in order to avoid getting into hell's kitchen.)
Dune::FieldVector<FlashEval, numComponents> flashGlobalMolarities;
for (unsigned compIdx = 0; compIdx < numComponents; ++ compIdx)
flashGlobalMolarities[compIdx] = globalMolarities[compIdx];
FlashDefectVector defect;
const unsigned nMax = 50; // <- maximum number of newton iterations
for (unsigned nIdx = 0; nIdx < nMax; ++nIdx) {
// calculate Jacobian matrix and right hand side
evalDefect_(defect, flashFluidState, flashGlobalMolarities);
Valgrind::CheckDefined(defect);
// create field matrices and vectors out of the evaluation vector to solve
// the linear system of equations.
for (unsigned eqIdx = 0; eqIdx < numEq; ++ eqIdx) {
for (unsigned pvIdx = 0; pvIdx < numEq; ++ pvIdx)
J[eqIdx][pvIdx] = defect[eqIdx].derivatives[pvIdx];
b[eqIdx] = defect[eqIdx].value;
}
Valgrind::CheckDefined(J);
Valgrind::CheckDefined(b);
// Solve J*x = b
deltaX = 0;
try { J.solve(deltaX, b); }
catch (Dune::FMatrixError e) {
throw Opm::NumericalProblem(e.what());
}
Valgrind::CheckDefined(deltaX);
// update the fluid quantities.
Scalar relError = update_<MaterialLaw>(flashFluidState, flashParamCache, matParams, deltaX);
if (relError < tolerance) {
assignOutputFluidState_(flashFluidState, fluidState);
return;
}
}
OPM_THROW(Opm::NumericalProblem,
"ImmiscibleFlash solver failed: "
"{c_alpha^kappa} = {" << globalMolarities << "}, "
<< "T = " << fluidState.temperature(/*phaseIdx=*/0));
}
