Title : ( Molecular dynamic simulation of bulk and surface structure of the ionic liquids 1-alkyl-3-methylimidazolium iodides )
Authors: Mohammad Hadi Ghatee , Amin Reza Zolghadr , Fatemeh Moosavi ,
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Abstract
From molecular dynamic simulation of the liquid vapor interface of imidazolium based ILs, it has been indicated that in the vapor side, the alkyl group is pointing to the surface, and the imidazolium ring and the anion tend to the liquid side of the interface.
Keywords
, Molecular dynamics, orientation, density profile, ionic liquids
@inproceedings{paperid:1025296,
author = {Mohammad Hadi Ghatee and Amin Reza Zolghadr and Moosavi, Fatemeh},
title = {Molecular dynamic simulation of bulk and surface structure of the ionic liquids 1-alkyl-3-methylimidazolium iodides},
booktitle = {14th Conference on Physical Chemistry},
year = {2011},
location = {Kish, IRAN},
keywords = {Molecular dynamics; orientation; density profile; ionic liquids},
}
%0 Conference Proceedings
%T Molecular dynamic simulation of bulk and surface structure of the ionic liquids 1-alkyl-3-methylimidazolium iodides
%A Mohammad Hadi Ghatee
%A Amin Reza Zolghadr
%A Moosavi, Fatemeh
%J 14th Conference on Physical Chemistry
%D 2011
