Transition state theory applied to self-diffusion of hard spheres
Abstract
A description in terms of transition rates among cells is used to analyze self-diffusion of hard spheres in the fluid phase. Cell size is assumed much larger than the mean free path. Transition state theory is used to obtain an equation that matches numerical results previously obtained by other authors. Two regimes are identified. For small packing fraction , diffusion is limited by free volume; and, for large , diffusion is limited by velocity autocorrelation. The expressions obtained in each regime do not require adjustable parameters.
Cite
@article{arxiv.1908.11150,
title = {Transition state theory applied to self-diffusion of hard spheres},
author = {Miguel Hoyuelos},
journal= {arXiv preprint arXiv:1908.11150},
year = {2021}
}
Comments
Transition state theory is not actually needed for the calculations, it resulted an unnecessary complication that, besides, is not well justified. The paper requires not only a revision, but major modifications that will transform it in something too different