Particle-Shape Effect on Thermophysical Properties of Model Liquid Systems. Solutions of Hard Spherocylinders
Keywords:Monte Carlo method, thermophysical properties, influence of particle shape, free or available volume
Thermophysical parameters (density, adiabatic and isothermal elastic moduli, thermal expansion coefficient, and Joule–Thomson coefficient) of a solutions of hard spherocylinders with various elongations have been determined using the Monte Carlo method applied to an isothermal-isobaric ensemble characterized by the reduced temperature T = 1.0 and the reduced pressures P = 1.0 and 3.5. It is shown that the shape of the particles, provided that their volumes are invariant, affects the thermophysical properties of the studied solutions indirectly through the free or available volume of the system, rather than the volume fraction occupied by the particles.
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