Isotropic-Nematic Phase Transition in Hard Platelets as Described by a Third-Virial Theory

被引：6

作者：

Cinacchi, Giorgio ^{[1
,2
]}

Tani, Alessandro ^{[3
]}

机构：

[1] Univ Autonoma Madrid, Inst Fis Mat Condensada IFIMAC, Dept Fis Teor Mat Condensada, Campus Cantoblanco, E-28049 Madrid, Spain

[2] Univ Autonoma Madrid, Inst Ciencias Mat Nicolas Cabrera, E-28049 Madrid, Spain

[3] Univ Pisa, Dept Chim, I-56124 Pisa, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2015年 / 119卷 / 17期

关键词：

MONTE-CARLO CALCULATIONS; SCALED PARTICLE THEORY; BINARY-MIXTURES; LIQUID; FLUID; THIN; BEHAVIOR; SYSTEM; MODEL; SHAPE;

D O I：

10.1021/acs.jpcb.5b00389

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：

This work discusses a few second and third-virial (density functional) theory approaches aimed at describing the isotropic-nematic phase transition in three-dimensional freely rotating infinitesimally thin hard discs, the basic model for (colloidal) discotic liquid crystals. Both plain and resummed versions are considered, those resummed being based on a simple yet rather accurate analytic equation of state for the isotropic phase. Extensive Monte Carlo simulations, carried out to locate accurately the phase transition, are used to test the performance of these approaches and guide toward an improved ansatz.

引用

页码：5671 / 5676

页数：6

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