Monte Carlo study of dipolar and quadrupolar hard prolate spherocylinders

Abstract

Monte Carlo simulations of hard prolate spherocylinders ( HPSs) with embedded dipole or quadrupole moment are reported for two elongations ( L = 0.5 and 1) and several values of the packing fraction.

Keywords

• THERMODYNAMIC PERTURBATION-THEORY
• NON-SPHERICAL MOLECULES
• INTEGRAL-EQUATION
• LINEAR-MOLECULES
• REFERENCE SYSTEM
• FREE-ENERGY
• ANISOTROPIC MOLECULES
• DIATOMIC FLUIDS
• LIQUID-MIXTURES
• KIHARA FLUIDS