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Computer simulation of a 'Green chemistry' room-temperature ionic solvent

Authors :
Margulis, C.J.
Stern, H.A.
Berne, B.J.
Source :
Journal of Physical Chemistry B. Nov 21, 2002, Vol. 106 Issue 46, 12017-12021
Publication Year :
2002

Abstract

Molecular dynamics simulations of 1-buthyl-3 methylimidazolium hexafluorophosphate ([bmim][PF6]) is presented. Radial distribution functions, average density, and mean-square displacements for the individual ions are computed.

Subjects

Subjects :
Ionic solutions -- Chemical properties
Simulation methods -- Research
Molecular dynamics -- Research
Chemicals, plastics and rubber industries

Details

Language :
English
ISSN :
15206106
Volume :
106
Issue :
46
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.123818846

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