Shape factors and interaction parameters in equations of state Part I. Repulsion phenomena in rigid particle systems

Abstract

An equation of state for the fluid phase of nonattracting rigid particles of arbitrary shape is presented. A particle shape factor is defined and its dependence on the packing fraction is evaluated from Monte Carlo and molecular dynamics simulation results for a variety of nonattracting asymmetric rigid particles, e.g., rigid-sphere polymers, ellipsoids, star particles, spherocylinders.

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