-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathtest.json
58 lines (58 loc) · 1.6 KB
/
test.json
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
{
"residual_model": "PC-SAFT",
"residual_substance_parameters": [
{
"identifier": {
"cas": "74-82-8",
"name": "methane",
"iupac_name": "methane",
"smiles": "C",
"inchi": "InChI=1/CH4/h1H4",
"formula": "CH4"
},
"model_record": {
"m": 1.0,
"sigma": 3.7039,
"epsilon_k": 150.03
},
"molarweight": 16.043
},
{
"identifier": {
"cas": "110-82-7",
"name": "cyclohexane",
"iupac_name": "cyclohexane",
"smiles": "C1CCCCC1",
"inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2",
"formula": "C6H12"
},
"model_record": {
"m": 2.5303,
"sigma": 3.8499,
"epsilon_k": 278.11
},
"molarweight": 84.147
}
],
"residual_binary_parameters": {
"id1": {
"cas": "67-56-1",
"name": "methanol",
"iupac_name": "methanol",
"smiles": "CO",
"inchi": "InChI=1/CH4O/c1-2/h2H,1H3",
"formula": "CH4O"
},
"id2": {
"cas": "110-82-7",
"name": "cyclohexane",
"iupac_name": "cyclohexane",
"smiles": "C1CCCCC1",
"inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2",
"formula": "C6H12"
},
"model_record": {
"k_ij": 0.051
}
}
}