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

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