Monte Carlo simulation on nematic order of chain model using mean field potential - Order parameter in binary mixture

Authors
Citation
I. Ono et S. Kondo, Monte Carlo simulation on nematic order of chain model using mean field potential - Order parameter in binary mixture, MOL SIMULAT, 21(5-6), 1999, pp. 417-427
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR SIMULATION
ISSN journal
08927022 → ACNP
Volume
21
Issue
5-6
Year of publication
1999
Pages
417 - 427
Database
ISI
SICI code
0892-7022(1999)21:5-6<417:MCSONO>2.0.ZU;2-L
Abstract
Monte Carlo simulations for the linear chain model composed of four success ive atoms have been performed using the method of Vacatello and lovino base d on the Flory-Ronca-Irvine mean field theory. We assumed three kinds of mo lecules having different ordering parameters and calculated each pure syste m and the binary systems of these molecules. The ordering properties for ea ch component have been determined as a function of temperature and composit ion. In the binary system consisting of substances exhibiting the nematic p hase with different order parameters, there is an approximately linear rela tionship between the order parameter and the composition. When the isotropi c molecules are mixed with the nematic substance, the order parameter decre ases with increasing mole fraction of the isotropic molecule, and the nemat ic phase changes into the isotropic phase at a certain composition.