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Speed optimizations for saturation routines

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Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-08-16 17:50:04 +02:00
parent 083722d819
commit fc2e618fb7
4 changed files with 7 additions and 13 deletions
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2
src/Backends/Helmholtz/FlashRoutines.cpp
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@@ -167,7 +167,7 @@ void FlashRoutines::PQ_flash(HelmholtzEOSMixtureBackend &HEOS)
// Use logarithm of delta as independent variables
options.use_logdelta = false;
double increment = 0.2;
double increment = 0.4;
try{
for (double omega = 1.0; omega > 0; omega -= increment){

12
src/Backends/Helmholtz/VLERoutines.cpp
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@@ -136,12 +136,8 @@ void SaturationSolvers::saturation_P_pure_1D_T(HelmholtzEOSMixtureBackend *HEOS,
double call(double T){
this->T = T;
// Recalculate the densities using the current guess values
rhomolar_liq = HEOS->SatL->solver_rho_Tp(T, p, rhomolar_liq);
rhomolar_vap = HEOS->SatV->solver_rho_Tp(T, p, rhomolar_vap);
// Set the densities in the saturation classes
HEOS->SatL->update(DmolarT_INPUTS, rhomolar_liq, T);
HEOS->SatV->update(DmolarT_INPUTS, rhomolar_vap, T);
HEOS->SatL->update_TP_guessrho(T, p, rhomolar_liq);
HEOS->SatV->update_TP_guessrho(T, p, rhomolar_vap);
// Calculate the Gibbs functions for liquid and vapor
gL = HEOS->SatL->gibbsmolar();
@@ -370,9 +366,7 @@ void SaturationSolvers::saturation_PHSU_pure(HelmholtzEOSMixtureBackend *HEOS, l
throw SolutionError(format("saturation_PHSU_pure solver did not converge after 25 iterations for %s=%Lg current error is %Lg", info.c_str(), specified_value, error));
}
}
while (error > 1e-10);
HEOS->SatL->update(DmolarT_INPUTS, rhoL, T);
HEOS->SatV->update(DmolarT_INPUTS, rhoV, T);
while (error > 1e-9);
}
void SaturationSolvers::saturation_D_pure(HelmholtzEOSMixtureBackend *HEOS, long double rhomolar, saturation_D_pure_options &options)
{

4
src/Helmholtz.cpp
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@@ -219,7 +219,7 @@ void ResidualHelmholtzNonAnalytic::all(const long double &tau, const long double
long double PI = 4*Bi*ai*(ai-1)*pow(pow(delta-1,2),ai-2)+2*pow(Ai/betai,2)*pow(pow(delta-1,2),1/betai-2)+4*Ai*theta/betai*(1/(2*betai)-1)*pow(pow(delta-1,2),1/(2*betai)-2);
long double dPI_dDelta = -8*Bi*ai*(ai-1)*(ai-2)*pow(pow(delta-1,2),ai-5.0/2.0)-8*pow(Ai/betai,2)*(1/(2*betai)-1)*pow(pow(delta-1,2),1/betai-5.0/2.0)-(8*Ai*theta)/betai*(1/(2*betai)-1)*(1/(2*betai)-2)*pow(pow(delta-1,2),1/(2*betai)-5.0/2.0)+4*Ai/betai*(1/(2*betai)-1)*pow(pow(delta-1,2),1/(2*betai)-2)*dtheta_dDelta;
dDELTA3_dDelta3 = 1/(delta-1)*dDELTA2_dDelta2-1/pow(delta-1,2)*dDELTA_dDelta+pow(delta-1,2)*dPI_dDelta+2*(delta-1)*PI;
dDELTAbi2_dDelta2 = bi*(pow(DELTA,bi-1.0)*dDELTA2_dDelta2+(bi-1.0)*pow(DELTA,bi-2.0)*pow(dDELTA_dDelta,2));
dDELTAbi2_dDelta2 = bi*(pow(DELTA,bi-1)*dDELTA2_dDelta2+(bi-1.0)*pow(DELTA,bi-2.0)*pow(dDELTA_dDelta,2));
dDELTAbi3_dDelta3 = bi*(pow(DELTA,bi-1)*dDELTA3_dDelta3+dDELTA2_dDelta2*(bi-1)*pow(DELTA,bi-2)*dDELTA_dDelta+(bi-1)*(pow(DELTA,bi-2)*2*dDELTA_dDelta*dDELTA2_dDelta2+pow(dDELTA_dDelta,2)*(bi-2)*pow(DELTA,bi-3)*dDELTA_dDelta));
}
@@ -227,7 +227,7 @@ void ResidualHelmholtzNonAnalytic::all(const long double &tau, const long double
long double dDELTAbi2_dDelta_dTau=-Ai*bi*2.0/betai*pow(DELTA,bi-1.0)*(delta-1.0)*pow(pow(delta-1.0,2),1.0/(2.0*betai)-1.0)-2.0*theta*bi*(bi-1.0)*pow(DELTA,bi-2.0)*dDELTA_dDelta;
long double dDELTAbi2_dTau2 = 2.0*bi*pow(DELTA,bi-1.0)+4.0*pow(theta,2)*bi*(bi-1.0)*pow(DELTA,bi-2.0);
long double dDELTAbi3_dTau3 = -12.0*theta*bi*(bi-1.0)*pow(DELTA,bi-2)-8*pow(theta,3)*bi*(bi-1)*(bi-2)*pow(DELTA,bi-3.0);
long double dDELTAbi3_dTau3 = -12.0*theta*bi*(bi-1.0)*pow(DELTA,bi-2)-8*pow(theta,3)*bi*(bi-1)*(bi-2)*pow(DELTA,bi-3);
long double dDELTAbi3_dDelta_dTau2 = 2*bi*(bi-1)*pow(DELTA,bi-2)*dDELTA_dDelta+4*pow(theta,2)*bi*(bi-1)*(bi-2)*pow(DELTA,bi-3)*dDELTA_dDelta+8*theta*bi*(bi-1)*pow(DELTA,bi-2)*dtheta_dDelta;
long double dDELTAbi3_dDelta2_dTau = bi*((bi-1)*pow(DELTA,bi-2)*dDELTA_dTau*dDELTA2_dDelta2 + pow(DELTA,bi-1)*dDELTA3_dDelta2_dTau+(bi-1)*((bi-2)*pow(DELTA,bi-3)*dDELTA_dTau*pow(dDELTA_dDelta,2)+pow(DELTA,bi-2)*2*dDELTA_dDelta*dDELTA2_dDelta_dTau));

2
src/main.cxx
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@@ -502,7 +502,7 @@ int main()
time_t t1,t2;
long N = 100000;
double ss = 0;
std::vector<std::string> names(1,"Water");
std::vector<std::string> names(1,"Propane");
shared_ptr<HelmholtzEOSMixtureBackend> Water(new HelmholtzEOSMixtureBackend(names));
Water->set_mole_fractions(std::vector<long double>(1,1));
t1 = clock();