Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 946, Issue 1-3, Pages 70-76Publisher
ELSEVIER
DOI: 10.1016/j.theochem.2009.11.034
Keywords
Molecular dynamics simulation; Ionic liquids; Nano-segregation; Structure
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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.
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