#define USE_AUTODIFF #include "teqp/core.hpp" #include "teqp/models/multifluid.hpp" #include "teqp/algorithms/critical_tracing.hpp" #include <optional> void trace_critical_loci(const std::string &coolprop_root, const nlohmann::json &BIPcollection) { std::vector<std::vector<std::string>> pairs = { { "CarbonDioxide", "R1234YF" }, { "CarbonDioxide","R1234ZE(E)" }, { "ETHYLENE","R1243ZF" }, { "R1234YF","R1234ZE(E)" }, { "R134A","R1234YF" }, { "R23","R1234YF" }, { "R32","R1123" }, { "R32","R1234YF" }, { "R32","R1234ZE(E)" } }; for (auto &pp : pairs) { using ModelType = decltype(build_multifluid_model(pp, coolprop_root, BIPcollection)); std::optional<ModelType> optmodel{std::nullopt}; try { optmodel.emplace(build_multifluid_model(pp, coolprop_root, BIPcollection)); } catch (std::exception &e) { std::cout << e.what() << std::endl; std::cout << pp[0] << "&" << pp[1] << std::endl; continue; } for (int i : {0, 1}){ const auto &model = optmodel.value(); auto rhoc0 = 1.0 / model.redfunc.vc[i]; auto T0 = model.redfunc.Tc[i]; Eigen::ArrayXd rhovec(2); rhovec[i] = { rhoc0 }; rhovec[1L - i] = 0.0; using ct = CriticalTracing<ModelType>; // Non-analytic terms make it impossible to initialize AT the pure components if (pp[0] == "CarbonDioxide" || pp[1] == "CarbonDioxide") { if (i == 0) { rhovec[i] *= 0.9999; rhovec[1L - i] = 0.9999; } else { rhovec[i] *= 1.0001; rhovec[1L - i] = 1.0001; } double zi = rhovec[i] / rhovec.sum(); double T = zi * model.redfunc.Tc[i] + (1 - zi) * model.redfunc.Tc[1L - i]; double z0 = (i == 0) ? zi : 1-zi; auto [Tnew, rhonew] = ct::critical_polish_molefrac(model, T, rhovec, z0); T0 = Tnew; rhoc0 = rhovec.sum(); } std::string filename = pp[0] + "_" + pp[1] + ".csv"; ct::trace_critical_arclength_binary(model, T0, rhovec, filename); } } } int main(){ std::string coolprop_root = "../mycp"; auto BIPcollection = coolprop_root + "/dev/mixtures/mixture_binary_pairs.json"; // Critical curves Timer t(1); trace_critical_loci(coolprop_root, BIPcollection); return EXIT_SUCCESS; }