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A partial resolution of https://github.com/CoolProp/CoolProp/issues/107

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All internal values are molar, so the error message is only truly useful if you are using molar units

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-08-26 13:44:49 +02:00
parent f6a4f7e239
commit 07cc87b8b2
1 changed files with 29 additions and 15 deletions
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44
src/Backends/Helmholtz/FlashRoutines.cpp
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@@ -238,16 +238,10 @@ void FlashRoutines::PQ_flash(HelmholtzEOSMixtureBackend &HEOS)
else
{
double pc = HEOS.components[0]->pEOS->reduce.p;
double Tc = HEOS.components[0]->pEOS->reduce.T;
double Tt = HEOS.components[0]->pEOS->Ttriple;
double pt = HEOS.components[0]->pEOS->ptriple;
//double Tsat_guess = 1/(1/Tc-(1/Tt-1/Tc)/log(pc/pt)*log(HEOS._p/pc));
// Set some imput options
SaturationSolvers::mixture_VLE_IO io;
io.sstype = SaturationSolvers::imposed_p;
io.Nstep_max = 20;
io.Nstep_max = 5;
// Get an extremely rough guess by interpolation of ln(p) v. T curve where the limits are mole-fraction-weighted
long double Tguess = SaturationSolvers::saturation_preconditioner(HEOS, HEOS._p, SaturationSolvers::imposed_p, HEOS.mole_fractions);
@@ -258,14 +252,24 @@ void FlashRoutines::PQ_flash(HelmholtzEOSMixtureBackend &HEOS)
// Actually call the successive substitution solver
SaturationSolvers::successive_substitution(HEOS, HEOS._Q, Tguess, HEOS._p, HEOS.mole_fractions, HEOS.K, io);
//SaturationSolvers::newton_raphson_saturation NR;
//SaturationSolvers::newton_raphson_saturation_options IO;
//IO.rhomolar_liq = io.rhomolar_liq;
//IO.rhomolar_vap = io.rhomolar_vap;
//IO.T = io.T;
//IO.p = io.p;
//IO.Nstep_max = 25;
// Dewpoint
//NR.call(HEOS, io.y, io.x, IO);
// Load the outputs
HEOS._phase = iphase_twophase;
HEOS._p = HEOS.SatV->p();
HEOS._rhomolar = 1/(HEOS._Q/HEOS.SatV->rhomolar() + (1 - HEOS._Q)/HEOS.SatL->rhomolar());
HEOS._T = HEOS.SatL->T();
//PhaseEnvelope::PhaseEnvelope_GV ENV_GV;
//ENV_GV.build(&HEOS, HEOS.mole_fractions, HEOS.K, io);
int rr = 4;
}
}
// D given and one of P,H,S,U
@@ -554,7 +558,7 @@ void FlashRoutines::HSU_P_flash_singlephase_Brent(HelmholtzEOSMixtureBackend &HE
long double r, eos, p, value, T, rhomolar;
int other;
int iter;
long double r0, r1, T1, T0, pp;
long double r0, r1, T1, T0, eos0, eos1, pp;
solver_resid(HelmholtzEOSMixtureBackend *HEOS, long double p, long double value, int other) :
HEOS(HEOS), p(p), value(value), other(other)
{
@@ -583,14 +587,14 @@ void FlashRoutines::HSU_P_flash_singlephase_Brent(HelmholtzEOSMixtureBackend &HE
// Store values for later use if there are errors
if (iter == 0){
r0 = r; T0 = T;
r0 = r; T0 = T; eos0 = eos;
}
else if (iter == 1){
r1 = r; T1 = T;
r1 = r; T1 = T; eos1 = eos;
}
else{
r0 = r1; T0 = T1;
r1 = r; T1 = T;
r0 = r1; T0 = T1; eos0 = eos1;
r1 = r; T1 = T; eos1 = eos;
}
iter++;
@@ -608,6 +612,16 @@ void FlashRoutines::HSU_P_flash_singlephase_Brent(HelmholtzEOSMixtureBackend &HE
catch(std::exception &e){
// Un-specify the phase of the fluid
HEOS.unspecify_phase();
// Determine why you were out of range if you can
//
long double eos0 = resid.eos0, eos1 = resid.eos1;
if (eos1 > eos0 && value > eos1){
throw ValueError(format("HSU_P_flash_singlephase_Brent could not find a solution because %s is above the maximum value of %0.12Lg", get_parameter_information(other,"short").c_str(), eos1));
}
if (eos1 > eos0 && value < eos0){
throw ValueError(format("HSU_P_flash_singlephase_Brent could not find a solution because %s is below the minimum value of %0.12Lg", get_parameter_information(other,"short").c_str(), eos0));
}
throw;
}