Phase behavior of ionic liquid crystals

TL;DR

This study uses density functional theory to explore the phase behavior of ionic liquid crystals, revealing complex phase diagrams and the influence of molecular parameters on phase transitions.

Contribution

It introduces a theoretical framework for predicting phase behavior of ionic liquid crystals considering charge placement and particle length.

Findings

Rich phase diagrams with vapor, isotropic, nematic, and smectic phases

Phase behavior depends on particle length and charge location

Theoretical predictions align with experimental observations

Abstract

Bulk properties of ionic liquid crystals are investigated using density functional theory. The liquid crystal molecules are represented by ellipsoidal particles with charges located in their center or at their tails. Attractive interactions are taken into account in terms of the Gay-Berne pair potential. Rich phase diagrams involving vapor, isotropic and nematic liquid, as well as smectic phases are found. The dependence of the phase behavior on various parameters such as the length of the particles and the location of charges on the particles is studied.