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));
}
static void solveIdealMix_(FluidState &fluidState,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
unsigned phaseIdx,
const ComponentVector &fugacities)
{
for (unsigned i = 0; i < numComponents; ++ i) {
const Evaluation& phi = FluidSystem::fugacityCoefficient(fluidState,
paramCache,
phaseIdx,
i);
const Evaluation& gamma = phi * fluidState.pressure(phaseIdx);
Valgrind::CheckDefined(phi);
Valgrind::CheckDefined(gamma);
Valgrind::CheckDefined(fugacities[i]);
fluidState.setFugacityCoefficient(phaseIdx, i, phi);
fluidState.setMoleFraction(phaseIdx, i, fugacities[i]/gamma);
};
paramCache.updatePhase(fluidState, phaseIdx);
const Evaluation& rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
fluidState.setDensity(phaseIdx, rho);
return;
}
static void solve(FluidState& fluidState,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
unsigned refPhaseIdx,
bool setViscosity,
bool setEnthalpy)
{
typedef MathToolbox<typename FluidState::Scalar> FsToolbox;
// compute the density and enthalpy of the
// reference phase
paramCache.updatePhase(fluidState, refPhaseIdx);
fluidState.setDensity(refPhaseIdx,
FluidSystem::density(fluidState,
paramCache,
refPhaseIdx));
if (setEnthalpy)
fluidState.setEnthalpy(refPhaseIdx,
FluidSystem::enthalpy(fluidState,
paramCache,
refPhaseIdx));
if (setViscosity)
fluidState.setViscosity(refPhaseIdx,
FluidSystem::viscosity(fluidState,
paramCache,
refPhaseIdx));
// compute the fugacities of all components in the reference phase
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
fluidState.setFugacityCoefficient(refPhaseIdx,
compIdx,
FluidSystem::fugacityCoefficient(fluidState,
paramCache,
refPhaseIdx,
compIdx));
}
// compute all quantities for the non-reference phases
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (phaseIdx == refPhaseIdx)
continue; // reference phase is already calculated
ComponentVector fugVec;
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
const auto& fug = fluidState.fugacity(refPhaseIdx, compIdx);
fugVec[compIdx] = FsToolbox::template decay<Evaluation>(fug);
}
CompositionFromFugacities::solve(fluidState, paramCache, phaseIdx, fugVec);
if (setViscosity)
fluidState.setViscosity(phaseIdx,
FluidSystem::viscosity(fluidState,
paramCache,
phaseIdx));
if (setEnthalpy)
fluidState.setEnthalpy(phaseIdx,
FluidSystem::enthalpy(fluidState,
paramCache,
phaseIdx));
}
}
static void solve(FluidState &fluidState,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
unsigned 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 (unsigned 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 (unsigned i = 0; i < FluidSystem::numComponents; ++i)
std::cout << fluidState.moleFraction(phaseIdx, i) << " ";
std::cout << "\n";
std::cout << FluidSystem::phaseName(phaseIdx) << "Phase phi: ";
for (unsigned 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::NumericalProblem(e.what()); }
//std::cout << "original delta: " << x << "\n";
Valgrind::CheckDefined(x);
/*
std::cout << FluidSystem::phaseName(phaseIdx) << "Phase composition: ";
for (unsigned 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::NumericalProblem,
"Calculating the " << FluidSystem::phaseName(phaseIdx)
<< "Phase composition failed. Initial {x} = {"
<< xInit
<< "}, {fug_t} = {" << targetFug << "}, p = " << fluidState.pressure(phaseIdx)
<< ", T = " << fluidState.temperature(phaseIdx));
}