Three Commentaries on the nano-segregated structure of ionic liquids

被引：159

作者：

Shimizu, Karina ^{[1
,2
]}

Costa Gomes, Margarida F. ^{[3
]}

Padua, Agilio A. H. ^{[3
]}

Rebelo, Luis P. N. ^{[2
]}

Canongia Lopes, Jose N. ^{[1
,2
]}

机构：

[1] Univ Nova Lisboa, Inst Tecnol Quim & Biol, ITQB 2, P-2780901 Oeiras, Portugal

[2] Inst Super Tecn, Ctr Quim Estrutural, P-1049001 Lisbon, Portugal

[3] Univ Blaise Pascal, Lab Thermodynam & Interact Mol, CNRS, Clermont Ferrand, France

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2010年 / 946卷 / 1-3期

关键词：

Molecular dynamics simulation; Ionic liquids; Nano-segregation; Structure; MOLECULAR-FORCE FIELD; CATIONS; IMIDAZOLIUM; SOLUTES; UNIQUE;

D O I：

10.1016/j.theochem.2009.11.034

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 concept that ionic liquids are nano-segregated fluids has allowed the rationalization at a molecular level of many of their complex and unusual properties, either as pure substances or as solvents. In this work we will use molecular dynamics simulation results to discuss in a semi-quantitative manner different aspects of such segregation: how it varies within a homologous ionic liquid family; the influence of the nature of the ions in the morphology of the segregated domains; and the interactions of those domains with molecular solutes or solvents. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：70 / 76

页数：7

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