Issue 22, 2011
From the journal:

Chemical Communications

Computational studies of room temperature ionic liquid–water mixtures

B. L. Bhargava,*ab   Yoshiro Yasakaa  and  Michael L. Kleina  

* Corresponding authors

a Institute for Computational Molecular Science and Department of Chemistry, Temple University, 1900 N. 12th Street, Philadelphia, PA, USA
E-mail: bhargav@sas.upenn.edu, yoshiro.yasaka@temple.edu, mlklein@temple.edu
Fax: +1-215-204-2257
Tel: +1-215-204-4217

b The Laboratory for Research on the Structure of Matter, University of Pennsylvania, 3231 Walnut Street, Philadelphia, PA, USA

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.

Graphical abstract: Computational studies of room temperature ionic liquid–water mixtures

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/C1CC10575B
Article type
Feature Article
Submitted
29 Jan 2011
Accepted
04 Mar 2011
First published
30 Mar 2011

Chem. Commun., 2011,47, 6228-6241

Permissions

Request permissions

Computational studies of room temperature ionic liquid–water mixtures

B. L. Bhargava, Y. Yasaka and M. L. Klein, Chem. Commun., 2011, 47, 6228 DOI: 10.1039/C1CC10575B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements