3-BODY DISTRIBUTION-FUNCTIONS IN HARD-SPHERE FLUIDS - COMPARISON OF EXCLUDED-VOLUME-ANISOTROPY MODEL PREDICTIONS AND MONTE-CARLO SIMULATION

Hard sphere three-body distribution functions predicted by the recentl y developed Excluded-Volume-Anisotropy (EVA) model are compared with M onte Carlo computer simulation measurements. Two types of simulations, both based on the Widom insertion method, are performed as a function of solvent density (0.1 less than or equal to rho sigma(3) less than or equal to 0.8), solute structure (linear, triangular, and bent 3-bea d chain), and solute-solvent sphere diameter ratio (0 less than or equ al to sigma/sigma(S) less than or equal to 3). Comparisons of these re sults with those of previous studies illustrate the accuracy of the EV A model in predicting multi-body distribution functions near contact S eparations (and inside of contact), where the Kirkwood-Superposition-A pproximation is least accurate. (C) 1997 American Institute of Physics . [S0021-9606(97)51141-X].