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Add linear and Lorentz-Berthelot mixing rules; call apply_simple_mixing_rule(), then twiddle parameters

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closes #798
closes #792
This commit is contained in:
Ian Bell
2015-08-29 16:38:00 -06:00
parent 2a1cae6f5a
commit 4f5d1a041d
4 changed files with 76 additions and 1 deletions
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65
src/Backends/Helmholtz/MixtureParameters.cpp
View File

@@ -142,8 +142,72 @@ public:
}
}
}
/// Add a simple mixing rule
void add_simple_mixing_rule(const std::string &CAS1, const std::string &CAS2, const std::string &rule){
// Get the empty dictionary to be filled by the appropriate reducing parameter filling function
Dictionary dict;
// Get the vector of CAS numbers
std::vector<std::string> CAS;
CAS.push_back(CAS1);
CAS.push_back(CAS2);
// Sort the CAS number vector
std::sort(CAS.begin(), CAS.end());
// Get the names of the compounds
std::vector<std::string> names1(1,CAS[0]);
shared_ptr<CoolProp::HelmholtzEOSMixtureBackend> HEOS1(new CoolProp::HelmholtzEOSMixtureBackend(names1));
std::string name1 = HEOS1->name();
std::vector<std::string> names2(1,CAS[1]);
shared_ptr<CoolProp::HelmholtzEOSMixtureBackend> HEOS2(new CoolProp::HelmholtzEOSMixtureBackend(names2));
std::string name2 = HEOS2->name();
// Populate the dictionary with common terms
dict.add_string("name1", name1);
dict.add_string("name2", name2);
dict.add_string("BibTeX", "N/A - LINEAR MIXING");
dict.add_number("F", 0);
dict.add_string("type","GERG-2008");
if (rule == "linear"){
// Terms for linear mixing
dict.add_number("gammaT", 0.5*(HEOS1->T_critical()+HEOS2->T_critical())/sqrt(HEOS1->T_critical()*HEOS2->T_critical()));
double rhoc1 = HEOS1->rhomolar_critical(), rhoc2 = HEOS2->rhomolar_critical();
dict.add_number("gammaV", 4*(1/rhoc1+1/rhoc2)/pow(1/pow(rhoc1,1.0/3.0)+1/pow(rhoc2,1.0/3.0),3));
dict.add_number("betaV", 1.0);
dict.add_number("betaT", 1.0);
}
else if (rule == "Lorentz-Berthelot"){
// Terms for Lorentz-Berthelot quadratic mixing
dict.add_number("gammaT", 1.0);
dict.add_number("gammaV", 1.0);
dict.add_number("betaV", 1.0);
dict.add_number("betaT", 1.0);
}
else{
throw ValueError(format("Your simple mixing rule [%s] was not understood", rule.c_str()));
}
if (binary_pair_map.find(CAS) == binary_pair_map.end()){
// Add to binary pair map by creating one-element vector
binary_pair_map.insert(std::pair<std::vector<std::string>, std::vector<Dictionary> >(CAS, std::vector<Dictionary>(1, dict)));
}
else
{
binary_pair_map[CAS].push_back(dict);
}
}
};
// The modifiable parameter library
static MixtureBinaryPairLibrary mixturebinarypairlibrary;
// A fixed parameter library containing the default values
static MixtureBinaryPairLibrary mixturebinarypairlibrary_default;
/// Add a simple mixing rule
void apply_simple_mixing_rule(const std::string &CAS1, const std::string &CAS2, const std::string &rule){
mixturebinarypairlibrary.add_simple_mixing_rule(CAS1, CAS2, rule);
}
std::string get_csv_mixture_binary_pairs()
{
@@ -225,7 +289,6 @@ void set_mixture_binary_pair_data(const std::string &CAS1, const std::string &CA
else{
throw ValueError(format("Could not match the binary pair [%s,%s] - for now this is an error.",CAS1.c_str(), CAS2.c_str()));
}
}
}

8
src/Backends/Helmholtz/MixtureParameters.h
View File

@@ -41,6 +41,14 @@ std::string get_mixture_binary_pair_data(const std::string &CAS1, const std::str
*/
void set_mixture_binary_pair_data(const std::string &CAS1, const std::string &CAS2, const std::string &param, const double val);
/**
* @brief Apply a simple mixing rule for a given binary pair
* @param CAS1 The CAS # for the first fluid (order matters!)
* @param CAS2 The CAS # for the second fluid (order matters!)
* @param rule The simple mixing rule to be used ("linear", "Lorentz-Berthelot")
*/
void apply_simple_mixing_rule(const std::string &CAS1, const std::string &CAS2, const std::string &rule);
class MixtureParameters
{
public: