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COSMO‐UNIFAC model for ionic liquids
Author(s) -
Dong Yichun,
Huang Shuai,
Guo Yanyan,
Lei Zhigang
Publication year - 2020
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.16787
Subject(s) - unifac , thermodynamics , ionic liquid , cosmo rs , a priori and a posteriori , activity coefficient , group contribution method , chemistry , phase equilibrium , organic chemistry , physics , catalysis , philosophy , epistemology , aqueous solution , phase (matter)
The united chemical thermodynamic model, that is, COSMO‐UNIFAC model was first extended to the systems containing ionic liquids (ILs). This model for ILs combines the respective advantages of COSMO‐based (priori prediction) and UNIFAC (relatively accurate prediction) models. The comparison of the predicted values by COSMO‐UNIFAC model with experimental data indicates that this model can provide a moderate quantitative prediction for the systems containing ILs when the UNIFAC model parameters are vacant.