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Computational studies of room temperature ionic liquid-water mixtures. | LitMetric

Computational studies of room temperature ionic liquid-water mixtures.

Chem Commun (Camb)

Institute for Computational Molecular Science and Department of Chemistry, Temple University, 1900 N. 12th Street, Philadelphia, PA 19122, USA.

Published: June 2011

AI Article Synopsis

  • Room temperature ionic liquids (IL) are versatile solvents in chemistry, and their properties change when water is added, allowing for the customization of solvents for specific uses.
  • Experimental and computational studies have revealed important details about the structure, dynamics, and behavior of IL/water mixtures, including how they aggregate and phase separate.
  • The research on these mixtures faces challenges due to their viscous nature and slow processes, but recent advancements in computational methods are being reviewed, with future directions for the field being considered.

Article Abstract

Room temperature ionic liquids (IL) have been used in numerous applications in chemistry. Addition of water alters many of their properties making it possible to custom design solvents for specific applications. Along with experiments, computational studies using various approaches have provided key insights into the structure and dynamics of IL systems, as well as aggregate formation and phase behavior of the IL/water mixtures. These systems provide computational challenges since ILs and IL/water mixtures are viscous liquids with intrinsically slow processes and structural organization over surprisingly large length scales, which push the limits of applicability of the available techniques. Recent developments in the studies of IL/water mixtures using computational methodologies are reviewed and the future prospects for the field are briefly discussed.

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Source
http://dx.doi.org/10.1039/c1cc10575bDOI Listing

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