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Fixes to Mixture Parameters

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If F_ij is zero, put in a dummy departure function
If pair is invalid, throw error rather than crash

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-09-11 13:00:53 +02:00
parent a5b7b6f8b7
commit ed1d7a41a6
1 changed files with 15 additions and 3 deletions
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18
src/Backends/Helmholtz/MixtureParameters.cpp
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@@ -217,6 +217,11 @@ void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
// ***************************************************
// Reducing parameters for binary pair
// ***************************************************
if (mixturebinarypairlibrary.binary_pair_map.find(CAS) == mixturebinarypairlibrary.binary_pair_map.end())
{
throw ValueError(format("Could not match the binary pair [%s,%s] - for now this is an error.", CAS[0].c_str(), CAS[1].c_str()));
}
// Get a reference to the first matching binary pair in the dictionary
Dictionary &dict_red = mixturebinarypairlibrary.binary_pair_map[CAS][0];
@@ -249,6 +254,16 @@ void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
// Departure functions used in excess term
// ***************************************************
// Set the scaling factor F for the excess term
HEOS.Excess.F[i][j] = dict_red.get_number("F");
if (std::abs(HEOS.Excess.F[i][j]) < DBL_EPSILON){
// Empty departure function that will just return 0
std::vector<double> n(1,0), d(1,1), t(1,1), l(1,0);
HEOS.Excess.DepartureFunctionMatrix[i][j].reset(new ExponentialDepartureFunction(n,d,t,l));
continue;
}
// Get the name of the departure function to be used for this binary pair
std::string Name = CoolProp::get_reducing_function_name(components[i]->CAS, components[j]->CAS);
@@ -260,9 +275,6 @@ void MixtureParameters::set_mixture_parameters(HelmholtzEOSMixtureBackend &HEOS)
std::vector<double> d = dict_dep.get_double_vector("d");
std::vector<double> t = dict_dep.get_double_vector("t");
// Set the scaling factor F for the excess term
HEOS.Excess.F[i][j] = dict_red.get_number("F");
std::string type_dep = dict_dep.get_string("type");
if (!type_dep.compare("GERG-2008")){