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Refine the phase envelopes in the liquid side based on difference in pressure

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Closes #998
This commit is contained in:
Ian Bell
2016-03-18 22:10:37 -07:00
parent 470514a8e3
commit 21800a3393
1 changed files with 15 additions and 7 deletions
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22
src/Backends/Helmholtz/PhaseEnvelopeRoutines.cpp
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@@ -99,7 +99,11 @@ void PhaseEnvelopeRoutines::build(HelmholtzEOSMixtureBackend &HEOS)
// First we try to generate all the critical points. This
// is very useful
std::vector<CriticalState> critpts = HEOS.all_critical_points();
std::vector<CriticalState> critpts;
try{
critpts = HEOS.all_critical_points();
}
catch(...){};
std::size_t failure_count = 0;
// Set some imput options
@@ -294,7 +298,7 @@ void PhaseEnvelopeRoutines::build(HelmholtzEOSMixtureBackend &HEOS)
IO.x[IO.x.size()-1] = 1 - std::accumulate(IO.x.begin(), IO.x.end()-1, 0.0);
factor = rho_vap_new/IO.rhomolar_vap;
dont_extrapolate = true; // So that we use the mole fractions we calculated here instead of the extrapolated values
std::cout << "dv " << rho_vap_new << " dl " << IO.rhomolar_liq << " " << vec_to_string(IO.x, "%0.10Lg") << " " << vec_to_string(IO.y, "%0.10Lg") << std::endl;
//std::cout << "dv " << rho_vap_new << " dl " << IO.rhomolar_liq << " " << vec_to_string(IO.x, "%0.10Lg") << " " << vec_to_string(IO.y, "%0.10Lg") << std::endl;
iter0 = iter - 1; // Back to linear interpolation again
continue;
}
@@ -355,14 +359,18 @@ void PhaseEnvelopeRoutines::refine(HelmholtzEOSMixtureBackend &HEOS)
std::size_t i = 0;
do{
// Don't do anything if change in density is small enough
if (std::abs(env.rhomolar_vap[i]/env.rhomolar_vap[i+1]-1) < 0.2){ i++; continue; }
// Don't do anything if change in density and pressure is small enough
if ((std::abs(env.rhomolar_vap[i]/env.rhomolar_vap[i+1]-1) < 0.2)
&& (std::abs(env.p[i]/env.p[i+1]-1) < 0.25)
){ i++; continue; }
double rhomolar_vap_start = env.rhomolar_vap[i],
rhomolar_vap_end = env.rhomolar_vap[i+1];
const double rhomolar_vap_start = env.rhomolar_vap[i],
rhomolar_vap_end = env.rhomolar_vap[i+1];
// Ok, now we are going to do some more refining in this step
for (double rhomolar_vap = rhomolar_vap_start*1.1; rhomolar_vap < rhomolar_vap_end; rhomolar_vap *= 1.1)
int N = 5; // Number of steps of refining
double factor = pow(rhomolar_vap_end/rhomolar_vap_start,1.0/N);
for (double rhomolar_vap = rhomolar_vap_start*factor; rhomolar_vap < rhomolar_vap_end; rhomolar_vap *= factor)
{
IO.rhomolar_vap = rhomolar_vap;
IO.x.resize(IO.y.size());