From 402164adcae1b9613e34afba25275784508f70ce Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 21 Oct 2021 17:41:40 -0400
Subject: [PATCH] Fix superancillary implementation, update check notebook
---
include/teqp/models/cubics.hpp | 4 ++--
notebooks/CheckCubics.ipynb | 42 ++++++++++++++++++++++++++++------
2 files changed, 37 insertions(+), 9 deletions(-)
diff --git a/include/teqp/models/cubics.hpp b/include/teqp/models/cubics.hpp
index f738b60..d2a8038 100644
--- a/include/teqp/models/cubics.hpp
+++ b/include/teqp/models/cubics.hpp
@@ -77,8 +77,8 @@ public:
auto b = get_b(T, z);
auto Ttilde = R(z)*T*b/get_a(T,z);
return std::make_tuple(
- CubicSuperAncillary::supercubic(superanc_index, CubicSuperAncillary::RHOL_CODE, Ttilde)*b,
- CubicSuperAncillary::supercubic(superanc_index, CubicSuperAncillary::RHOV_CODE, Ttilde)*b
+ CubicSuperAncillary::supercubic(superanc_index, CubicSuperAncillary::RHOL_CODE, Ttilde)/b,
+ CubicSuperAncillary::supercubic(superanc_index, CubicSuperAncillary::RHOV_CODE, Ttilde)/b
);
}
diff --git a/notebooks/CheckCubics.ipynb b/notebooks/CheckCubics.ipynb
index f3d560d..913bb24 100644
--- a/notebooks/CheckCubics.ipynb
+++ b/notebooks/CheckCubics.ipynb
@@ -37,7 +37,7 @@
},
{
"cell_type": "code",
- "execution_count": 7,
+ "execution_count": 3,
"metadata": {},
"outputs": [
{
@@ -53,12 +53,13 @@
"data": {
"text/plain": [
"{'Delta1': 2.414213562373095,\n",
+ " 'Delta2': -0.41421356237309515,\n",
" 'OmegaA': 0.4572355289213822,\n",
" 'OmegaB': 0.07779607390388846,\n",
" 'kind': 'Peng-Robinson'}"
]
},
- "execution_count": 7,
+ "execution_count": 3,
"metadata": {},
"output_type": "execute_result"
}
@@ -76,7 +77,7 @@
},
{
"cell_type": "code",
- "execution_count": 6,
+ "execution_count": 4,
"metadata": {},
"outputs": [
{
@@ -92,12 +93,13 @@
"data": {
"text/plain": [
"{'Delta1': 1.0,\n",
+ " 'Delta2': 0.0,\n",
" 'OmegaA': 0.4274802335403417,\n",
" 'OmegaB': 0.08664034996495766,\n",
" 'kind': 'Soave-Redlich-Kwong'}"
]
},
- "execution_count": 6,
+ "execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
@@ -115,10 +117,36 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 5,
"metadata": {},
- "outputs": [],
- "source": []
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "{'Delta1': 2.414213562373095, 'Delta2': -0.41421356237309515, 'OmegaA': 0.4572355289213822, 'OmegaB': 0.07779607390388846, 'kind': 'Peng-Robinson'}\n"
+ ]
+ },
+ {
+ "data": {
+ "text/plain": [
+ "([24221.746187758014, 1030.361868803444],\n",
+ " [24222.536725733073, 1029.779329419418])"
+ ]
+ },
+ "execution_count": 5,
+ "metadata": {},
+ "output_type": "execute_result"
+ }
+ ],
+ "source": [
+ "model = teqp.canonical_PR([Tc_K[0]], [pc_Pa[0]], [acentric[0]])\n",
+ "print(model.get_meta())\n",
+ "[rhoL, rhoV ] = model.superanc_rhoLV(150)\n",
+ "\n",
+ "import CoolProp.CoolProp as CP\n",
+ "[rhoL, rhoV], CP.PropsSI('Dmolar','T',150,'Q',[0,1],'PR::METHANE').tolist()"
+ ]
}
],
"metadata": {
--
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