Studies in Molecular Dynamics. XI. Correlation Functions of a Hard-Sphere Test Particle

Abstract

The velocity autocorrelation function of a hard‐sphere solute particle of the same size but different mass from the solvent particles has been studied at two different densities in order to quantitatively evaluate the mass dependence of the back scattering and vortex correlation contributions to the mutual diffusion coefficient. For an infinitely heavy solute particle, the time integral of the force autocorrelation function shows surprisingly little negative structure as a result of an unexpectedly large number of successive collisions with the same solvent particle.