Comparison of the Ionic Liquid Crystal Phase of [C<sub>12</sub>C<sub>1</sub>im][BF<sub>4</sub>] and [C<sub>12</sub>C<sub>1</sub>im]Cl by Atomistic MD Simulations

Comparison of the Ionic Liquid Crystal Phase of [C<sub>12</sub>C<sub>1</sub>im][BF<sub>4</sub>] and [C<sub>12</sub>C<sub>1</sub>im]Cl by Atomistic MD Simulations

We present fully atomistic molecular dynamics (MD) simulations at 450 K of two ionic liquid crystals in the smectic phase: 1-dodecyl-3-methylimidazolium tetrafluoroborate ([C<sub>12</sub>C<sub>1</sub>im][BF<sub>4</sub>]) and 1-dodecyl-3-methylimidazolium chloride...

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Bibliographic Details
Main Author: Giacomo Saielli
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:Crystals
Subjects:
ionic liquid crystals
molecular dynamics simulations
ionic liquids
electrostatic interactions
van der Waals interactions
anion size
Online Access:https://www.mdpi.com/2073-4352/10/4/253

Internet

https://www.mdpi.com/2073-4352/10/4/253

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