From eb34966b0aad5b32f640331d9a6deb8171923b56 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 19 Mar 2021 09:07:37 -0400
Subject: [PATCH] Add updated version of Ar01
---
include/teqp/derivs.hpp | 8 +++++++-
1 file changed, 7 insertions(+), 1 deletion(-)
diff --git a/include/teqp/derivs.hpp b/include/teqp/derivs.hpp
index 9fb166d..1fdc90e 100644
--- a/include/teqp/derivs.hpp
+++ b/include/teqp/derivs.hpp
@@ -84,9 +84,15 @@ typename ContainerType::value_type get_Ar10(const Model& model, const TType T, c
return -T*derivT([&model](const auto& T, const auto& rhovec) { return model.alphar(T, rhovec); }, T, rhovec);
}
+template <typename Model, typename TType, typename RhoType, typename MoleFracType>
+auto get_Ar01(const Model& model, const TType &T, const RhoType &rho, const MoleFracType& molefrac) {
+ double h = 1e-100;
+ auto der = model.alphar(T, std::complex<double>(rho, h), molefrac).imag() / h;
+ return der*rho;
+}
+
template <typename Model, typename TType, typename ContainerType>
typename ContainerType::value_type get_Ar01(const Model& model, const TType T, const ContainerType& rhovec) {
-
auto rhotot_ = std::accumulate(std::begin(rhovec), std::end(rhovec), (decltype(rhovec[0]))0.0);
decltype(rhovec[0] * T) Ar01 = 0.0;
for (auto i = 0; i < rhovec.size(); ++i) {
--
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