title: Effective separation of forces in a mode coupling theory of self-diffusion.
abstract: A mode coupling theory (MCT) expression for the self-diffusion coefficient follows simply when the soft fluctuating intermolecular forces are projected along a collective densitylike variable. The projected forces separate into two parts: from the gradient of the direct correlation function (dcf), and from the short range forces. The time correlation function of the dcf-derived forces is related to the excess entropy, as shown by Ali [J. Chem. Phys. 124, 144504 (2006)], and this relationship is evaluated for two variations of MCT. As for hard spheres, the derivation of an analogous MCT is beset by a number of singularities that kinetic theory could not remove. A justifiable MCT for hard sphere fluids may not exist.
authors: Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, USA.
authors: H
authors: H
authors: Dong
authors: G T
authors: GT
authors: Evans