期刊
JOURNAL OF MOLECULAR LIQUIDS
卷 275, 期 -, 页码 122-125出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molliq.2018.11.076
关键词
Kirkwood-Buff theory; Ionic liquid; 2-Alkanol; Molecular interactions
Mixtures formed by 1-butyl-3-methylimidazolium + 2-Alkanol have been investigated in the framework of the Kirkwood-Buff theory of solution. The alcohols considered are 2-propanol, 2-butanol, and 2-pentanol. Data for the Kirkwood-Buff integrals, G(ij) excess or deficit number of molecules around the central ones, Delta n(ij) and coefficients of linear solvation, delta(ij) are reported. For solutions with a given ionic liquid (IL), the increase in the -CH2 groups of alcohols chain causes a decrease in G(12) by the following sequences: 2-propanol > 2-butanol > 2-pentanol. The comparison of G(12) and other calculated parameters for IL + 2-alkanol mixtures reveals that the interactions between dissimilar molecules are more outstanding and the rise of alkyl chain in alcohols leads to the weakening of interactions related to the self-association of 2-alkanol and structural effects. These trends are consistent with experimental data on excess molar volumes. (C) 2018 Elsevier B.V. All rights reserved.
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