4.6 Article

COSMO-UNIFAC model for ionic liquids

期刊

AICHE JOURNAL
卷 66, 期 1, 页码 -

出版社

WILEY
DOI: 10.1002/aic.16787

关键词

COSMO-UNIFAC model; COSMO-based models; ionic liquids; UNIFAC model

资金

  1. National Natural Science Foundation of China [U1862103]

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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.

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