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Ian Bell
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#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;
}