论文信息 - The Independent Molecular Interaction Sites Model III. A Monte‐Carlo Study of the Reference Fluid for Hard Dumbbell Systems

The Independent Molecular Interaction Sites Model III. A Monte‐Carlo Study of the Reference Fluid for Hard Dumbbell Systems

The site-site pair distribution functions of the Independent-Molecular-Interaction-Sites (IMIS) reference fluid for homonuclear hard dumbbell systems are evaluated by Monte-Carlo simulation and from the Percus-Yevick approximation. The good overall agreement with the “exact” pair correlation functions for these systems suggests that the IMIS model provides a reliable route to the structural properties of interaction site model fluids with short-ranged site-site potentials.

K. Naumann | W. Bruns | R. Bansal

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