void MixtureFugacityTP::setState_TR(doublereal T, doublereal rho)
{
getMoleFractions(DATA_PTR(moleFractions_));
Phase::setTemperature(T);
_updateReferenceStateThermo();
Phase::setDensity(rho);
doublereal mv = molarVolume();
// depends on mole fraction and temperature
updateMixingExpressions();
m_Pcurrent = pressureCalc(T, mv);
iState_ = phaseState(true);
}
void MixtureFugacityTP::setState_TP(doublereal t, doublereal pres)
{
/*
* A pretty tricky algorithm is needed here, due to problems involving
* standard states of real fluids. For those cases you need
* to combine the T and P specification for the standard state, or else
* you may venture into the forbidden zone, especially when nearing the
* triple point.
* Therefore, we need to do the standard state thermo calc with the
* (t, pres) combo.
*/
getMoleFractions(DATA_PTR(moleFractions_));
Phase::setTemperature(t);
_updateReferenceStateThermo();
// Depends on the mole fractions and the temperature
updateMixingExpressions();
m_Pcurrent = pres;
if (forcedState_ == FLUID_UNDEFINED) {
double rhoNow = Phase::density();
double rho = densityCalc(t, pres, iState_, rhoNow);
if (rho > 0.0) {
Phase::setDensity(rho);
m_Pcurrent = pres;
iState_ = phaseState(true);
} else {
if (rho < -1.5) {
rho = densityCalc(t, pres, FLUID_UNDEFINED , rhoNow);
if (rho > 0.0) {
Phase::setDensity(rho);
m_Pcurrent = pres;
iState_ = phaseState(true);
} else {
throw CanteraError("MixtureFugacityTP::setState_TP()", "neg rho");
}
} else {
throw CanteraError("MixtureFugacityTP::setState_TP()", "neg rho");
}
}
} else if (forcedState_ == FLUID_GAS) {
// Normal density calculation
if (iState_ < FLUID_LIQUID_0) {
double rhoNow = Phase::density();
double rho = densityCalc(t, pres, iState_, rhoNow);
if (rho > 0.0) {
Phase::setDensity(rho);
m_Pcurrent = pres;
iState_ = phaseState(true);
if (iState_ >= FLUID_LIQUID_0) {
throw CanteraError("MixtureFugacityTP::setState_TP()", "wrong state");
}
} else {
throw CanteraError("MixtureFugacityTP::setState_TP()", "neg rho");
}
}
} else if (forcedState_ > FLUID_LIQUID_0) {
if (iState_ >= FLUID_LIQUID_0) {
double rhoNow = Phase::density();
double rho = densityCalc(t, pres, iState_, rhoNow);
if (rho > 0.0) {
Phase::setDensity(rho);
m_Pcurrent = pres;
iState_ = phaseState(true);
if (iState_ == FLUID_GAS) {
throw CanteraError("MixtureFugacityTP::setState_TP()", "wrong state");
}
} else {
throw CanteraError("MixtureFugacityTP::setState_TP()", "neg rho");
}
}
}
}
void
PorousFlowWaterNCG::massFractions(Real pressure,
Real temperature,
Real Z,
FluidStatePhaseEnum & phase_state,
std::vector<FluidStateProperties> & fsp) const
{
FluidStateProperties & liquid = fsp[_aqueous_phase_number];
FluidStateProperties & gas = fsp[_gas_phase_number];
// Equilibrium mass fraction of NCG in liquid and H2O in gas phases
Real Xncg, dXncg_dp, dXncg_dT, Yh2o, dYh2o_dp, dYh2o_dT;
equilibriumMassFractions(
pressure, temperature, Xncg, dXncg_dp, dXncg_dT, Yh2o, dYh2o_dp, dYh2o_dT);
Real Yncg = 1.0 - Yh2o;
Real dYncg_dp = -dYh2o_dp;
Real dYncg_dT = -dYh2o_dT;
// Determine which phases are present based on the value of Z
phaseState(Z, Xncg, Yncg, phase_state);
// The equilibrium mass fractions calculated above are only correct in the two phase
// state. If only liquid or gas phases are present, the mass fractions are given by
// the total mass fraction Z.
Real Xh2o = 0.0;
Real dXncg_dZ = 0.0, dYncg_dZ = 0.0;
switch (phase_state)
{
case FluidStatePhaseEnum::LIQUID:
{
Xncg = Z;
Yncg = 0.0;
Xh2o = 1.0 - Z;
Yh2o = 0.0;
dXncg_dp = 0.0;
dXncg_dT = 0.0;
dXncg_dZ = 1.0;
dYncg_dp = 0.0;
dYncg_dT = 0.0;
break;
}
case FluidStatePhaseEnum::GAS:
{
Xncg = 0.0;
Yncg = Z;
Yh2o = 1.0 - Z;
dXncg_dp = 0.0;
dXncg_dT = 0.0;
dYncg_dZ = 1.0;
dYncg_dp = 0.0;
dYncg_dT = 0.0;
break;
}
case FluidStatePhaseEnum::TWOPHASE:
{
// Keep equilibrium mass fractions
Xh2o = 1.0 - Xncg;
break;
}
}
// Save the mass fractions in the FluidStateMassFractions object
liquid.mass_fraction[_aqueous_fluid_component] = Xh2o;
liquid.mass_fraction[_gas_fluid_component] = Xncg;
gas.mass_fraction[_aqueous_fluid_component] = Yh2o;
gas.mass_fraction[_gas_fluid_component] = Yncg;
// Save the derivatives wrt PorousFlow variables
liquid.dmass_fraction_dp[_aqueous_fluid_component] = -dXncg_dp;
liquid.dmass_fraction_dp[_gas_fluid_component] = dXncg_dp;
liquid.dmass_fraction_dT[_aqueous_fluid_component] = -dXncg_dT;
liquid.dmass_fraction_dT[_gas_fluid_component] = dXncg_dT;
liquid.dmass_fraction_dZ[_aqueous_fluid_component] = -dXncg_dZ;
liquid.dmass_fraction_dZ[_gas_fluid_component] = dXncg_dZ;
gas.dmass_fraction_dp[_aqueous_fluid_component] = -dYncg_dp;
gas.dmass_fraction_dp[_gas_fluid_component] = dYncg_dp;
gas.dmass_fraction_dT[_aqueous_fluid_component] = -dYncg_dT;
gas.dmass_fraction_dT[_gas_fluid_component] = dYncg_dT;
gas.dmass_fraction_dZ[_aqueous_fluid_component] = -dYncg_dZ;
gas.dmass_fraction_dZ[_gas_fluid_component] = dYncg_dZ;
}