From 90d47d9476b654c419315403184a922ec8b62fa1 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 22 Jul 2021 10:14:06 -0400
Subject: [PATCH] Add Gaussian+Exponential terms
---
include/teqp/models/multifluid.hpp | 36 +++++++++++++++++++++++++++++-
1 file changed, 35 insertions(+), 1 deletion(-)
diff --git a/include/teqp/models/multifluid.hpp b/include/teqp/models/multifluid.hpp
index fb37ff6..1f20afa 100644
--- a/include/teqp/models/multifluid.hpp
+++ b/include/teqp/models/multifluid.hpp
@@ -373,6 +373,37 @@ inline auto get_departure_function_matrix(const std::string& coolprop_root, cons
e.epsilon = toeig(term["epsilon"]).tail(NGERG);
dep.add_term(e);
};
+ auto build_GaussianExponential = [&](const auto& term, auto& dep) {
+ if (!all_same_length(term, { "n","t","d","eta","beta","gamma","epsilon" })) {
+ throw std::invalid_argument("Lengths are not all identical in Gaussian+Exponential term");
+ }
+ int Npower = term["Npower"];
+ auto NGauss = static_cast<int>(term["n"].size()) - Npower;
+
+ PowerEOSTerm eos;
+ eos.n = toeig(term["n"]).head(Npower);
+ eos.t = toeig(term["t"]).head(Npower);
+ eos.d = toeig(term["d"]).head(Npower);
+ if (term.contains("l")) {
+ eos.l = toeig(term["l"]).head(Npower);
+ }
+ else {
+ eos.l = 0.0 * eos.n;
+ }
+ eos.c = (eos.l > 0).cast<int>().cast<double>();
+ eos.l_i = eos.l.cast<int>();
+ dep.add_term(eos);
+
+ GaussianEOSTerm e;
+ e.n = toeig(term["n"]).tail(NGauss);
+ e.t = toeig(term["t"]).tail(NGauss);
+ e.d = toeig(term["d"]).tail(NGauss);
+ e.eta = toeig(term["eta"]).tail(NGauss);
+ e.beta = toeig(term["beta"]).tail(NGauss);
+ e.gamma = toeig(term["gamma"]).tail(NGauss);
+ e.epsilon = toeig(term["epsilon"]).tail(NGauss);
+ dep.add_term(e);
+ };
auto get_function = [&](auto& funcname) {
auto j = get_departure_json(funcname);
auto type = j["type"];
@@ -383,8 +414,11 @@ inline auto get_departure_function_matrix(const std::string& coolprop_root, cons
else if(type == "GERG-2004" || type == "GERG-2008") {
build_GERG2004(j, dep);
}
+ else if (type == "Gaussian+Exponential") {
+ build_GaussianExponential(j, dep);
+ }
else {
- throw std::invalid_argument("Bad term type, should not get here");
+ throw std::invalid_argument("Bad departure term type: "+funcname+"");
}
return dep;
};
--
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