A Monte Carlo Simulation of Nematic and Discotic Ordering in a Polymeric Liquid Crystal
- 1 September 1990
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 5 (3) , 167-173
- https://doi.org/10.1080/08927029008022128
Abstract
A cyclic polymeric liquid crystal system is simulated using the Metropolis Monte Carlo method in the NVT ensemble. The polymeric system consists of mesogenic moieties attached by alkyl chain spacers to siloxane ring polymers. In the model, the mesogenic moieties are represented individually by an anisotropic Lennard-Jones potential and the polymer ring is represented solely as a constraint on the relative motions of the attached mesogens. A transition from calamitic ordering to discotic ordering is observed as the ring-mesogen bond is varied from full flexible to rigid.Keywords
This publication has 6 references indexed in Scilit:
- A Monte Carlo Simulation of Cyclic Polymeric Liquid CrystalsMolecular Crystals and Liquid Crystals Incorporating Nonlinear Optics, 1987
- Synthesis, structure and properties of liquid crystalline polymersPure and Applied Chemistry, 1985
- Liquid crystals of disc-like moleculesPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1983
- Monte Carlo simulations and pair approximations on the phase transition of the restricted orientational lattice model for liquid crystalsJournal of Physics C: Solid State Physics, 1982
- Computer simulation studies of anisotropic systems IV. The effect of translational freedomProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980
- Equation of State Calculations by Fast Computing MachinesThe Journal of Chemical Physics, 1953