English

Dependence on the thermodynamic state of self-diffusion of pseudo hard-spheres

Statistical Mechanics 2023-02-08 v1 Soft Condensed Matter

Abstract

Self-diffusion, DD, in a system of particles that interact with a pseudo hard sphere potential is analyzed. Coupling with a solvent is represented by a Langevin thermostat, characterized by the damping time tdt_d. The hypotheses that D=D0φD=D_0 \varphi is proposed, where D0D_0 is the small concentration diffusivity and φ\varphi is a thermodynamic function that represents the effects of interactions as concentration is increased. Molecular dynamics simulations show that different values of the noise intensity modify D0D_0 but do not modify φ\varphi. This result is consistent with the assumption that φ\varphi is a thermodynamic function, since the thermodynamic state is not modified by the presence of damping and noise.

Keywords

Cite

@article{arxiv.2204.12969,
  title  = {Dependence on the thermodynamic state of self-diffusion of pseudo hard-spheres},
  author = {L. Marchioni and M. A. Di Muro and M. Hoyuelos},
  journal= {arXiv preprint arXiv:2204.12969},
  year   = {2023}
}