A Monte Carlo simulation study of associated liquid crystals

被引：10

作者：

Berardi, R ^{[1
]}

Fehervari, M ^{[1
]}

Zannoni, C ^{[1
]}

机构：

[1] Univ Bologna, Dipartimento Chim Fis & Inorgan, I-40136 Bologna, Italy

来源：

MOLECULAR PHYSICS | 1999年 / 97卷 / 11期

关键词：

D O I：

10.1080/00268979909482918

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have performed a Monte Carlo simulation study of a system of ellipsoidal particles with donor-acceptor sites modelling complementary hydrogen-bonding groups in real molecules. We have considered elongated Gay-Berne particles with terminal interaction sites allowing particles to associate and form dimers. The changes in the phase transitions and in the molecular organization and the interplay between orientational ordering and dimer formation are discussed. Particle flip and dimer moves have been used to increase the convergency rate of the Monte Carlo (MC) Markov chain.

引用

页码：1173 / 1184

页数：12

共 40 条

[1] THE HYDROGEN-BOND AND CRYSTAL ENGINEERING [J].