FINITE-SIZE EFFECTS IN MOLECULAR-DYNAMICS SIMULATIONS - STATIC STRUCTURE FACTOR AND COMPRESSIBILITY .2. APPLICATION TO A MODEL KRYPTON FLUID

The method described in the preceding paper [J. J. Salacuse, A. R. Den ton, and P. A, Egelstaff, preceding paper, Phys. Rev. E 53, 2382 (1996 )] for computing the static structure factor S(Q) of a bulk fluid is u sed to analyze molecular dynamics computer simulation data for a model krypton fluid whose atoms interact via a truncated Aziz pair potentia l. Simulations have been carried out for two system sizes of N = 706 a nd 2048 particles and two thermodynamic states, described by a common reduced temperature T = 1.51 and reduced densities p* = 0.25 and 0.4. Results presented include the N-particle radial distribution function g(N)(r) and the bulk static structure factor S(Q). In addition we cal culate the direct correlation function c(r) from the full S(Q). In com parison with corresponding predictions of the modified hypernetted cha in theory, the results are generally in excellent agreement at all r a nd Q, to within random statistical errors in the simulation data.