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research article

Transport properties of room-temperature ionic liquids from classical molecular dynamics

Andreussi, Oliviero  
•
Marzari, Nicola  
2012
Journal Of Chemical Physics

Room-temperature ionic liquids (RTILs) have attracted much attention in the scientific community in the past decade due their novel and highly customizable properties. Nonetheless, their high viscosities pose serious limitations to the use of RTILs in practical applications. To elucidate some of the physical aspects behind transport properties of RTILs, extensive classical molecular dynamics calculations are reported. Here, in particular, bulk viscosities and ionic conductivities of butyl-methyl-imidazole based RTILs are presented over a wide range of temperatures. The dependence of the properties of the liquids on simulation parameters, e.g., system-size effects or the choice of the interaction potential, is analyzed in detail. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4737388]

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Type
research article
DOI
10.1063/1.4737388
Web of Science ID

WOS:000307611500043

Author(s)
Andreussi, Oliviero  
Marzari, Nicola  
Date Issued

2012

Publisher

Amer Inst Physics

Published in
Journal Of Chemical Physics
Volume

137

Issue

4

Article Number

044508

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
Available on Infoscience
February 27, 2013
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/89744
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