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Catch singular explosions in saturation_PHSU_pure #2250

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merged 6 commits into from
Jan 16, 2024
Merged

Catch singular explosions in saturation_PHSU_pure #2250

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41739c5
Catch singular explosions in saturation_PHSU_pure
msaitta-mpr May 10, 2023
c1dc498
Add comment to explain error check in saturation_PHSU_pure
msaitta-mpr May 12, 2023
f249f3f
Add extra update check after saturation_PHSU_pure
msaitta-mpr May 26, 2023
c6b650b
Ensure that saturated phase is specified
msaitta-mpr May 26, 2023
1331b4d
Revert "Ensure that saturated phase is specified"
msaitta-mpr Sep 22, 2023
475e5b3
Update the ammonio saturated rhoV ancillary
msaitta-mpr Sep 22, 2023
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35 changes: 35 additions & 0 deletions src/Backends/Helmholtz/VLERoutines.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -554,6 +554,41 @@ void SaturationSolvers::saturation_PHSU_pure(HelmholtzEOSMixtureBackend& HEOS, C
info.c_str(), specified_value, error));
}
} while (error > 1e-9);
// recalculate error
negativer[0] = -(deltaV * (1 + deltaV * SatV->dalphar_dDelta()) - deltaL * (1 + deltaL * SatL->dalphar_dDelta()));
negativer[1] = -(deltaV * SatV->dalphar_dDelta() + SatV->alphar() + log(deltaV) - deltaL * SatL->dalphar_dDelta() - SatL->alphar() - log(deltaL));
switch (options.specified_variable) {
case saturation_PHSU_pure_options::IMPOSED_PL:
// -r_3 (equate calculated pressure and specified liquid pressure)
negativer[2] = -(SatL->p() / specified_value - 1);
break;
case saturation_PHSU_pure_options::IMPOSED_PV:
// -r_3 (equate calculated pressure and specified vapor pressure)
negativer[2] = -(SatV->p() / specified_value - 1);
break;
case saturation_PHSU_pure_options::IMPOSED_HL:
// -r_3 (equate calculated liquid enthalpy and specified liquid enthalpy)
negativer[2] = -(SatL->hmolar() - specified_value);
break;
case saturation_PHSU_pure_options::IMPOSED_HV:
// -r_3 (equate calculated vapor enthalpy and specified vapor enthalpy)
negativer[2] = -(SatV->hmolar() - specified_value);
break;
case saturation_PHSU_pure_options::IMPOSED_SL:
// -r_3 (equate calculated liquid entropy and specified liquid entropy)
negativer[2] = -(SatL->smolar() - specified_value);
break;
case saturation_PHSU_pure_options::IMPOSED_SV:
// -r_3 (equate calculated vapor entropy and specified vapor entropy)
negativer[2] = -(SatV->smolar() - specified_value);
break;
default:
throw ValueError(format("options.specified_variable to saturation_PHSU_pure [%d] is invalid", options.specified_variable));
}
error = sqrt(pow(negativer[0], 2) + pow(negativer[1], 2) + pow(negativer[2], 2));
if (error > 1e-8){
throw SolutionError(format("saturation_PHSU_pure solver was good, but went bad. Current error is %Lg", error));
}
}
void SaturationSolvers::saturation_D_pure(HelmholtzEOSMixtureBackend& HEOS, CoolPropDbl rhomolar, saturation_D_pure_options& options)
{
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