Microscopic characterization of amino acid ionic liquids - water mixtures

被引：9

作者：

Herrera, Cesar ^{[1
]}

Costa, Luciano T. ^{[2
]}

Atilhan, Mert ^{[3
]}

Aparicio, Santiago ^{[1
]}

机构：

[1] Univ Burgos, Dept Chem, Plaza Misael Banuelos S-N, Burgos 09001, Spain

[2] Univ Fed Fluminense, Dept Fis Quim, Inst Quim, BR-24020141 Niteroi, RJ, Brazil

[3] Texas A&M Univ Qatar, Dept Chem Engn, Doha, Qatar

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2017年 / 236卷

关键词：

Ionic liquids; Water; Mixtures; Molecular dynamics; External electric fields; Vacuum interfaces; MOLECULAR-DYNAMICS SIMULATIONS; EXTERNAL ELECTRIC-FIELD; LIQUID/WATER MIXTURES; ELECTROMAGNETIC-FIELDS; BINARY-MIXTURES; CO2; CAPTURE; SOLVENTS; ELECTROLYTES; ECOTOXICITY; PACKAGE;

D O I：

10.1016/j.molliq.2017.04.008

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The properties of ionic liquids containing glycinate anion and 1-ethyl-3-methylimidazolium or cholinium or methylpiperazinium cation mixed with water were studied in the full composition range in this manuscript. Relevant thermodynamic properties, such as excess molar volume or self-diffusion coefficients, were predicted to infer deviations from ideality. Nanostructuring and intermolecular forces in the mixed fluids were also analysed together with dynamic properties. The behaviour of these liquid mixtures at vacuum interfaces was also presented in this work. Likewise, the effect of static and dynamic external electric fields on fluid's dynamics and intermolecular forces were analysed. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：81 / 92

页数：12

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