Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 296, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molliq.2019.111769
Keywords
-
Funding
- SERB, Department of Science and Technology, New Delhi
- UGC New Delhi
Ask authors/readers for more resources
We have used Percus-Yevick liquid integral equation theory and classical density functional theory of freezing to study the structure and isotropic-nematic phase transitions in a two-dimensional system of soft ellipses interacting via full Gay-Berne interaction potential. The accuracy of the pair-correlation functions given by integral equation theory has been tested by those obtained by NVT Monte-Carlo simulation. The theory is found to overestimate the structure as we move to either higher density or to the case of a longer aspect ratio. Isotropic-nematic transition parameters have been calculated for three different systems of ellipses characterized by their major to minor axis ratio kappa = 3.0, 3.5 and 4.0 at temperature T* = 2.0. The same has been calculated at T* = 1.0 for the system with kappa = 3.0. Nematic phase is found to stabilize for all the 2D systems of GB ellipses. Isotropic-nematic transition is found to be weakly first order. (C) 2019 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available