ABSTRACT
Study of the transport properties of asymmetric particles is of fundamental importance because real molecules more often than not are asymmetric in nature [1-8]. The structural aspects and transport properties of fluids and fluid mixtures containing asymmetric particles are significantly different from those made of spherical entity. Asymmetry in particle shape and interaction can lead to microscopic heterogeneity in solution structure, even in model systems under normal conditions. Hard rod and disk model is the simplest example of these types of systems, which have been used by many authors to study different structural and dynamical behaviors [1-7]. These model systems are governed by hard repulsive interactions only, and therefore, attractive interaction among particles finds no role in determining various properties of either neat or mixed systems. Gay-Berne (GB) potential, on the other hand, includes both repulsive and attractive interactions and, thus, somewhat more realistic for studying the properties of liquids made of asymmetric particles. At a very simplistic level, GB interaction has some similarities with that among Lennard-Jones particles [8,9]. Several simulations using GB potential have already explored structural and dynamical aspects of several asymmetric systems [10-12]. The phase behavior of GB fluids is also very interesting because the modified form of GB potential [13] can give rise to liquid crystal. This is an important observation,
2.1 Introduction .................................................................................................... 21 2.2 Model and Simulation Details ........................................................................23 2.3 Results and Discussion ...................................................................................26 2.4 Conclusion ......................................................................................................34 Acknowledgments ....................................................................................................34 References ................................................................................................................34
