From 4581b6ab20bb57f6a5b48baf80654ab4acf1b3c9 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 3 Mar 2023 12:01:28 -0500
Subject: [PATCH] Show how to load PC-SAFT with make_model
---
doc/source/models/make_model.ipynb | 23 +++++++++++++++++++++++
1 file changed, 23 insertions(+)
diff --git a/doc/source/models/make_model.ipynb b/doc/source/models/make_model.ipynb
index 419ea17..825611d 100644
--- a/doc/source/models/make_model.ipynb
+++ b/doc/source/models/make_model.ipynb
@@ -86,6 +86,29 @@
" }\n",
"})"
]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "id": "bccc9f19",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "# methane with conventional PC-SAFT\n",
+ "j = {\n",
+ " 'kind': 'PCSAFT',\n",
+ " 'model': {\n",
+ " 'coeffs': [{\n",
+ " 'name': 'methane',\n",
+ " 'BibTeXKey': 'Gross-IECR-2001',\n",
+ " 'm': 1.00,\n",
+ " 'sigma_Angstrom': 3.7039,\n",
+ " 'epsilon_over_k': 150.03,\n",
+ " }]\n",
+ " }\n",
+ "}\n",
+ "model = teqp.make_model(j)"
+ ]
}
],
"metadata": {
--
GitLab