File tree Expand file tree Collapse file tree
workers/srk-vanlaar/src/acidwatch_worker_srk_vanlaar Expand file tree Collapse file tree Original file line number Diff line number Diff line change 66from acidwatch_models .definitions .srk_vanlaar import (
77 SRKVanLaarAdapter as SRKVanLaarDefinition ,
88)
9- from acidwatch_worker_gibbs_minimization import GibbsMinimizationModelAdapter
10-
119from neqsim import jneqsim
1210
1311
1412class SRKVanLaarAdapter (SRKVanLaarDefinition ):
15- _formula_to_neqsim = GibbsMinimizationModelAdapter .formula_to_neqsim
13+ _formula_to_neqsim = {
14+ "H2O" : "water" ,
15+ "O2" : "oxygen" ,
16+ "H2SO4" : "sulfuric acid" ,
17+ "HNO3" : "nitric acid" ,
18+ "CH4" : "methane" ,
19+ "Ar" : "argon" ,
20+ "CH2O2" : "formic acid" ,
21+ "H2" : "hydrogen" ,
22+ "CH3COOH" : "acetic acid" ,
23+ "CH3OH" : "methanol" ,
24+ "CH3CHO" : "C2H4O" ,
25+ "H2CO" : "CH2O" ,
26+ "NH3" : "ammonia" ,
27+ "N2" : "nitrogen" ,
28+ "CH3CH2OH" : "ethanol" ,
29+ "HOCH2CH2OH" : "MEG" ,
30+ "(CH2CH2OH)2O" : "DEG" ,
31+ "HOCH2(CH2CH2O)2CH2OH" : "TEG" ,
32+ "H2NCH2CH2OH" : "MEA" ,
33+ "CH3N(C2H4OH)2" : "MDEA" ,
34+ "(CH2CH2OH)2NH" : "DEA" ,
35+ "CH3CH3" : "ethane" ,
36+ "CH3CH2CH3" : "propane" ,
37+ "(CH3)2CHCH3" : "i-butane" ,
38+ "CH3CH2CH2CH3" : "n-butane" ,
39+ "CH3(CH2)3CH3" : "n-pentane" ,
40+ "C6H5CH3" : "toluene" ,
41+ "C6H4(CH3)2" : "o-Xylene" ,
42+ }
1643
1744 _neqsim_to_formula = {v : k for k , v in _formula_to_neqsim .items ()}
1845
You can’t perform that action at this time.
0 commit comments