| Literature DB >> 16089560 |
Abstract
The isotropic to nematic transition in a system of soft spherocylinders is studied by means of grand canonical Monte Carlo simulations. The probability distribution of the particle density is used to determine the coexistence densities of the isotropic and the nematic phases. The distributions are also used to compute the interfacial tension of the isotropic-nematic interface, including an analysis of finite size effects. Our results confirm that the Onsager limit is not recovered until for very large elongation, exceeding at least L/D=40 , with L the spherocylinder length and D the diameter. For smaller elongation, we find that the interfacial tension increases with increasing L/D , in agreement with theoretical predictions.Year: 2005 PMID: 16089560 DOI: 10.1103/PhysRevE.71.051716
Source DB: PubMed Journal: Phys Rev E Stat Nonlin Soft Matter Phys ISSN: 1539-3755