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Reorganized backends folder
Signed-off-by: Ian bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian bell
363
src/Backends/Helmholtz/ReducingFunctions.cpp
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363
src/Backends/Helmholtz/ReducingFunctions.cpp
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#include "ReducingFunctions.h"
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#include "mixture_reducing_parameters_JSON.h" // Creates the variable mixture_reducing_parameters_JSON
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namespace CoolProp{
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static MixingParameterLibrary mixturelibrary;
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MixingParameterLibrary::MixingParameterLibrary()
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{
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rapidjson::Document dd;
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dd.Parse<0>(mixture_reducing_parameters_JSON.c_str());
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if (dd.HasParseError()){throw ValueError();}
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// Iterate over the papers in the listing
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for (rapidjson::Value::ValueIterator itr = dd.Begin(); itr != dd.End(); ++itr)
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{
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// Iterate over the coeffs in the entry
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rapidjson::Value &Coeffs = (*itr)["Coeffs"];
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std::string model = cpjson::get_string(*itr, "Model");
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std::string BibTeX = cpjson::get_string(*itr, "BibTeX");
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for (rapidjson::Value::ValueIterator itr_coeff = Coeffs.Begin(); itr_coeff != Coeffs.End(); ++itr_coeff)
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{
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// Get the vector of CAS numbers
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std::vector<std::string> CAS;
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CAS.resize(2);
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CAS[0] = cpjson::get_string(*itr_coeff, "CAS1");
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CAS[1] = cpjson::get_string(*itr_coeff, "CAS2");
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std::string name1 = cpjson::get_string(*itr_coeff, "Name1");
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std::string name2 = cpjson::get_string(*itr_coeff, "Name2");
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// Sort the CAS number vector
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std::sort(CAS.begin(), CAS.end());
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// Get the empty dictionary to be filled by the appropriate reducing parameter filling function
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Dictionary d;
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// A sort was carried out, names/CAS were swapped
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bool swapped = CAS[0].compare(cpjson::get_string(*itr_coeff, "CAS1")) != 0;
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if (swapped){
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std::swap(name1,name2);
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}
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// Populate the dictionary with common terms
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d.add_string("model", model);
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d.add_string("name1", name1);
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d.add_string("name2", name2);
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d.add_string("bibtex", BibTeX);
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if (!model.compare("Kunz-JCED-2012"))
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{
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parse_Kunz_JCED_2012(d, *itr_coeff, swapped);
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}
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else if (!model.compare("Lemmon-JPCRD-2004"))
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{
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parse_Lemmon_JPCRD_2004(d, *itr_coeff, swapped);
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}
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else if (!model.compare("Lemmon-JPCRD-2000"))
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{
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parse_Lemmon_JPCRD_2000(d, *itr_coeff, swapped);
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}
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else
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{
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throw ValueError();
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}
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// If not in map, add new entry to map with dictionary
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if (reducing_map.find(CAS) == reducing_map.end())
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{
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// One-element vector of the dictionary
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std::vector<Dictionary> vd(1, d);
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// Pair for adding to map
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std::pair<std::vector<std::string>, std::vector<Dictionary> > p(CAS, vd);
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// Add
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reducing_map.insert(p);
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}
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else // If already in map, add entry to the end of the vector
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{
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// Append dictionary to listing
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reducing_map[CAS].push_back(d);
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}
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}
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}
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}
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ReducingFunction *ReducingFunction::factory(const std::vector<CoolPropFluid*> &components)
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{
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std::string _model;
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std::size_t N = components.size();
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STLMatrix beta_v, gamma_v, beta_T, gamma_T;
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beta_v.resize(N, std::vector<long double>(N, 0));
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gamma_v.resize(N, std::vector<long double>(N, 0));
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beta_T.resize(N, std::vector<long double>(N, 0));
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gamma_T.resize(N, std::vector<long double>(N, 0));
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for (unsigned int i = 0; i < N; ++i)
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{
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for (unsigned int j = 0; j < N; ++j)
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{
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if (i == j){ continue; }
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std::string CAS1 = components[i]->CAS;
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std::vector<std::string> CAS(2,"");
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CAS[0] = components[i]->CAS;
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CAS[1] = components[j]->CAS;
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std::sort(CAS.begin(), CAS.end());
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/// swapped is true if a swap occured.
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bool swapped = (CAS1.compare(CAS[0]) != 0);
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std::vector<Dictionary> & vd = mixturelibrary.reducing_map[CAS];
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if (vd.size() != 1) { throw NotImplementedError(); }
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// Get a reference to the dictionary itself to save a few dereferences
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Dictionary &d = vd[0];
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std::string model = d.get_string("model");
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if (!model.compare("Kunz-JCED-2012"))
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{
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if (swapped)
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{
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beta_v[i][j] = 1/d.get_number("betaV");
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beta_T[i][j] = 1/d.get_number("betaT");
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}
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else
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{
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beta_v[i][j] = d.get_number("betaV");
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beta_T[i][j] = d.get_number("betaT");
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}
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gamma_v[i][j] = d.get_number("gammaV");
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gamma_T[i][j] = d.get_number("gammaT");
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}
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else if (!model.compare("Lemmon-JPCRD-2004") || !model.compare("Lemmon-JPCRD-2000"))
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{
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LemmonAirHFCReducingFunction::convert_to_GERG(components,i,j,d,beta_T[i][j],beta_v[i][j],gamma_T[i][j],gamma_v[i][j]);
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}
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else
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{
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throw ValueError();
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}
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}
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}
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return new GERG2008ReducingFunction(components,beta_v, gamma_v, beta_T, gamma_T);
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}
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long double ReducingFunction::d_ndTrdni_dxj__constxi(const std::vector<long double> &x, int i, int j)
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{
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long double s = 0;
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for (unsigned int k = 0; k < N; k++)
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{
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s += x[k]*d2Trdxidxj(x,j,k);
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}
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return d2Trdxidxj(x,i,j)-dTrdxi__constxj(x,j)-s;
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}
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long double ReducingFunction::d_ndrhorbardni_dxj__constxi(const std::vector<long double> &x, int i, int j)
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{
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long double s = 0;
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for (unsigned int k = 0; k < N; k++)
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{
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s += x[k]*d2rhormolardxidxj(x,j,k);
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}
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return d2rhormolardxidxj(x,j,i)-drhormolardxi__constxj(x,j)-s;
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}
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long double ReducingFunction::ndrhorbardni__constnj(const std::vector<long double> &x, int i)
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{
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long double summer_term1 = 0;
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for (unsigned int j = 0; j < N; j++)
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{
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summer_term1 += x[j]*drhormolardxi__constxj(x,j);
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}
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return drhormolardxi__constxj(x,i)-summer_term1;
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}
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long double ReducingFunction::ndTrdni__constnj(const std::vector<long double> &x, int i)
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{
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// GERG Equation 7.54
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long double summer_term1 = 0;
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for (unsigned int j = 0; j < N; j++)
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{
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summer_term1 += x[j]*dTrdxi__constxj(x,j);
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}
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return dTrdxi__constxj(x,i)-summer_term1;
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}
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long double GERG2008ReducingFunction::Tr(const std::vector<long double> &x)
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{
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long double Tr = 0;
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for (unsigned int i = 0; i < N; i++)
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{
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double xi = x[i], Tci = pFluids[i]->pEOS->reduce.T;
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Tr += xi*xi*Tci;
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// The last term is only used for the pure component, as it is sum_{i=1}^{N-1}sum_{j=1}^{N}
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if (i==N-1){ break; }
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for (unsigned int j = i+1; j < N; j++)
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{
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Tr += c_Y_ij(i, j, beta_T, gamma_T, T_c)*f_Y_ij(x, i, j, beta_T);
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}
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}
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return Tr;
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}
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long double GERG2008ReducingFunction::dTrdxi__constxj(const std::vector<long double> &x, int i)
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{
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// See Table B9 from Kunz Wagner 2012 (GERG 2008)
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long double xi = x[i];
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long double dTr_dxi = 2*xi*pFluids[i]->pEOS->reduce.T;
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for (int k = 0; k < i; k++)
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{
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dTr_dxi += c_Y_ji(k,i,beta_T,gamma_T,T_c)*dfYkidxi__constxk(x,k,i,beta_T);
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}
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for (unsigned int k = i+1; k < N; k++)
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{
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dTr_dxi += c_Y_ij(i,k,beta_T,gamma_T,T_c)*dfYikdxi__constxk(x,i,k,beta_T);
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}
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return dTr_dxi;
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}
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long double GERG2008ReducingFunction::d2Trdxi2__constxj(const std::vector<long double> &x, int i)
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{
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// See Table B9 from Kunz Wagner 2012 (GERG 2008)
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long double d2Tr_dxi2 = 2*pFluids[i]->pEOS->reduce.T;
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for (int k = 0; k < i; k++)
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{
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d2Tr_dxi2 += c_Y_ij(k,i,beta_T,gamma_T,T_c)*d2fYkidxi2__constxk(x,k,i,beta_T);
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}
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for (unsigned int k = i+1; k < N; k++)
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{
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d2Tr_dxi2 += c_Y_ij(i,k,beta_T,gamma_T,T_c)*d2fYikdxi2__constxk(x,i,k,beta_T);
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}
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return d2Tr_dxi2;
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}
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long double GERG2008ReducingFunction::d2Trdxidxj(const std::vector<long double> &x, int i, int j)
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{
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if (i == j)
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{
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return d2Trdxi2__constxj(x,i);
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}
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else
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{
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// See Table B9 from Kunz Wagner 2012 (GERG 2008)
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return c_Y_ij(i, j, beta_T, gamma_T, T_c)*d2fYijdxidxj(x, i, j, beta_T);
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}
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}
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long double GERG2008ReducingFunction::dvrmolardxi__constxj(const std::vector<long double> &x, int i)
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{
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// See Table B9 from Kunz Wagner 2012 (GERG 2008)
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long double xi = x[i];
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long double dvrbar_dxi = 2*xi/pFluids[i]->pEOS->reduce.rhomolar;
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for (int k = 0; k < i; k++)
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{
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dvrbar_dxi += c_Y_ij(k, i, beta_v, gamma_v, v_c)*dfYkidxi__constxk(x, k, i, beta_v);
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}
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for (unsigned int k = i+1; k < N; k++)
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{
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dvrbar_dxi += c_Y_ij(i, k, beta_v, gamma_v, v_c)*dfYikdxi__constxk(x, i, k, beta_v);
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}
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return dvrbar_dxi;
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}
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long double GERG2008ReducingFunction::d2vrmolardxidxj(const std::vector<long double> &x, int i, int j)
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{
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if (i == j)
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{
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return d2vrmolardxi2__constxj(x, i);
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}
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else
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{
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return c_Y_ij(i, j, beta_v, gamma_v, v_c)*d2fYijdxidxj(x, i, j, beta_v);
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}
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}
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long double GERG2008ReducingFunction::drhormolardxi__constxj(const std::vector<long double> &x, int i)
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{
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return -pow(rhormolar(x),2)*dvrmolardxi__constxj(x,i);
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}
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long double GERG2008ReducingFunction::d2vrmolardxi2__constxj(const std::vector<long double> &x, int i)
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{
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// See Table B9 from Kunz Wagner 2012 (GERG 2008)
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double d2vrbardxi2 = 2/pFluids[i]->pEOS->reduce.rhomolar;
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for (int k = 0; k < i; k++)
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{
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d2vrbardxi2 += c_Y_ij(k, i, beta_v, gamma_v, v_c)*d2fYkidxi2__constxk(x, k, i, beta_v);
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}
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for (unsigned int k = i+1; k < N; k++)
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{
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d2vrbardxi2 += c_Y_ij(i, k, beta_v, gamma_v, v_c)*d2fYikdxi2__constxk(x, i, k, beta_v);
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}
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return d2vrbardxi2;
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}
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long double GERG2008ReducingFunction::d2rhormolardxi2__constxj(const std::vector<long double> &x, int i)
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{
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long double rhor = this->rhormolar(x);
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long double dvrbardxi = this->dvrmolardxi__constxj(x,i);
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return 2*pow(rhor,(int)3)*pow(dvrbardxi,(int)2)-pow(rhor,(int)2)*this->d2vrmolardxi2__constxj(x,i);
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}
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long double GERG2008ReducingFunction::d2rhormolardxidxj(const std::vector<long double> &x, int i, int j)
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{
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double rhor = this->rhormolar(x);
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double dvrbardxi = this->dvrmolardxi__constxj(x,i);
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double dvrbardxj = this->dvrmolardxi__constxj(x,j);
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return 2*pow(rhor,(int)3)*dvrbardxi*dvrbardxj-pow(rhor,(int)2)*this->d2vrmolardxidxj(x,i,j);
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}
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long double GERG2008ReducingFunction::rhormolar(const std::vector<long double> &x)
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{
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double vrbar = 0;
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for (unsigned int i = 0; i < N; i++)
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{
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double xi = x[i];
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vrbar += xi*xi/pFluids[i]->pEOS->reduce.rhomolar;
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if (i == N-1){ break; }
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for (unsigned int j = i+1; j < N; j++)
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{
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vrbar += c_Y_ij(i, j, beta_v, gamma_v, v_c)*f_Y_ij(x, i, j, beta_v);
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}
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}
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return 1/vrbar;
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}
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long double GERG2008ReducingFunction::dfYkidxi__constxk(const std::vector<long double> &x, int k, int i, std::vector< std::vector< long double> > &beta)
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{
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double xk = x[k], xi = x[i], beta_Y = beta[k][i];
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return xk*(xk+xi)/(beta_Y*beta_Y*xk+xi)+xk*xi/(beta_Y*beta_Y*xk+xi)*(1-(xk+xi)/(beta_Y*beta_Y*xk+xi));
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}
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long double GERG2008ReducingFunction::dfYikdxi__constxk(const std::vector<long double> &x, int i, int k, std::vector< std::vector< long double> > &beta)
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{
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double xk = x[k], xi = x[i], beta_Y = beta[i][k];
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return xk*(xi+xk)/(beta_Y*beta_Y*xi+xk)+xi*xk/(beta_Y*beta_Y*xi+xk)*(1-beta_Y*beta_Y*(xi+xk)/(beta_Y*beta_Y*xi+xk));
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}
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long double GERG2008ReducingFunction::c_Y_ij(int i, int j, std::vector< std::vector< long double> > &beta, std::vector< std::vector< long double> > &gamma, std::vector< std::vector< long double> > &Y_c)
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{
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return 2*beta[i][j]*gamma[i][j]*Y_c[i][j];
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}
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long double GERG2008ReducingFunction::c_Y_ji(int j, int i, std::vector< std::vector< long double> > &beta, std::vector< std::vector< long double> > &gamma, std::vector< std::vector< long double> > &Y_c)
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{
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return 2/beta[i][j]*gamma[i][j]*Y_c[i][j];
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}
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long double GERG2008ReducingFunction::f_Y_ij(const std::vector<long double> &x, int i, int j, std::vector< std::vector< long double> > &beta)
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{
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double xi = x[i], xj = x[j], beta_Y = beta[i][j];
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return xi*xj*(xi+xj)/(beta_Y*beta_Y*xi+xj);
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}
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long double GERG2008ReducingFunction::d2fYikdxi2__constxk(const std::vector<long double> &x, int i, int k, std::vector< std::vector< long double> > &beta)
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{
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double xi = x[i], xk = x[k], beta_Y = beta[i][k];
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return 1/(beta_Y*beta_Y*xi+xk)*(1-beta_Y*beta_Y*(xi+xk)/(beta_Y*beta_Y*xi+xk))*(2*xk-xi*xk*2*beta_Y*beta_Y/(beta_Y*beta_Y*xi+xk));
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}
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long double GERG2008ReducingFunction::d2fYkidxi2__constxk(const std::vector<long double> &x, int k, int i, std::vector< std::vector< long double> > &beta)
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{
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double xi = x[i], xk = x[k], beta_Y = beta[k][i];
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return 1/(beta_Y*beta_Y*xk+xi)*(1-(xk+xi)/(beta_Y*beta_Y*xk+xi))*(2*xk-xk*xi*2/(beta_Y*beta_Y*xk+xi));
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}
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long double GERG2008ReducingFunction::d2fYijdxidxj(const std::vector<long double> &x, int i, int j, std::vector< std::vector< long double> > &beta)
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{
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double xi = x[i], xj = x[j], beta_Y = beta[i][j], beta_Y2 = beta_Y*beta_Y;
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return (xi+xj)/(beta_Y2*xi+xj) + xj/(beta_Y2*xi+xj)*(1-(xi+xj)/(beta_Y2*xi+xj))
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+xi/(beta_Y2*xi+xj)*(1-beta_Y2*(xi+xj)/(beta_Y2*xi+xj))
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-xi*xj/pow(beta_Y2*xi+xj,(int)2)*(1+beta_Y2-2*beta_Y2*(xi+xj)/(beta_Y2*xi+xj));
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}
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} /* namespace CoolProp */
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