A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

V. Chaban, Vitaly; V. Voroshylova, Iuliia; N. Kalugin, Oleg

doi:10.1039/c0cp02778b

Public

A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

Published in Physical Chemistry Chemical Physics • Jan 1, 2011

Authors:

Vitaly V. Chaban

Iuliia V. Voroshylova

Oleg N. Kalugin

Abstract

A new, non-polarizable force field model (FFM) for imidazolium-based, room-temperature ionic liquids (RTILs), 1-ethyl-3-methyl-imidazolium tetrafluoroborate and 1-butyl-3-methyl-imidazolium tetrafluoroborate, has been developed. Modifying the FFM originally designed by Liu et al. (J. Phys. Chem. B, ...

Subject

Ionic liquid

Tetrafluoroborate

Chemistry

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