NISCAIR Online Periodicals Repository

NISCAIR ONLINE PERIODICALS REPOSITORY (NOPR)  >
NISCAIR PUBLICATIONS >
Research Journals >
Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.49A [2010] >
IJC-A Vol.49A(05-06) [May-June 2010] >


Title: Molecular dynamics simulation of model room temperature ionic liquids with divalent anions
Authors: Raju, S G
Balasubramanian, S
Keywords: Theoretical chemistry
Ionic liquids
Molecular dynamics
Simulation studies
Divalent ionic liquids
Issue Date: Jun-2010
Publisher: CSIR
Abstract: Room temperature ionic liquids contain molecular ions which are, in general, monovalent. In the present work, the intermolecular structure, dynamics and intermediate range structure in a model ionic liquid, whose cation and anion are mono- and di-valent respectively, have been explored. Charge compensation is met by doubling the mole fraction of the cations in the sample. Through coarse grained molecular dynamics simulations, an enhancement of electrostatic interactions in the liquid which leads to greater ordering and sluggish dynamics, relative to traditional room temperature ionic liquids, has been observed. The nanoscale heterogeneity inherent to room temperature ionic liquids is also further increased in these divalent systems.
Page(s): 721-726
Source:IJC-A Vol.49A(05-06) [May-June 2010]

Files in This Item:

File Description SizeFormat
IJCA 49A(05-06) 721-726.pdf348.12 kBAdobe PDFView/Open
 Current Page Visits: 785 
Recommend this item

 

National Knowledge Resources Consortium |  NISCAIR Website |  Contact us |  Feedback

Disclaimer: NISCAIR assumes no responsibility for the statements and opinions advanced by contributors. The editorial staff in its work of examining papers received for publication is helped, in an honorary capacity, by many distinguished engineers and scientists.

CC License Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India

Copyright © 2012 The Council of Scientific and Industrial Research, New Delhi. All rights reserved.

Powered by DSpace Copyright © 2002-2007 MIT and Hewlett-Packard | Compliant to OAI-PMH V 2.0

Home Page Total Visits: 587344 since 06-Feb-2009  Last updated on 18-Sep-2014Webmaster: nopr@niscair.res.in