English

Kinetic Theory of Soft Matter. The Penetrable-Square-Well Model

Soft Condensed Matter 2019-08-13 v2 Statistical Mechanics Fluid Dynamics

Abstract

The penetrable-square-well (PSW) pair interaction potential is defined as ϕ(r)=ϵr\phi (r)=\epsilon_r if the two interacting particles are overlapped (r<σr<\sigma), ϕ(r)=ϵa\phi(r)=-\epsilon_a inside a corona (σ<r<λ\sigma <r<\lambda), and ϕ(r)=0\phi(r)=0 otherwise (r>λr>\lambda). Thus, the potential reduces to the conventional square-well (SW) one in the limit ϵr\epsilon_r\to\infty and to the penetrable-sphere (PS) potential if ϵa0\epsilon_a\to0 or λσ\lambda\to\sigma. This paper aims at studying the temperature dependence of the Navier--Stokes transport coefficients of a dilute gas of particles interacting via the PSW model. By exploiting the fact that the PSW scattering process is analogous to that of a light ray passing through two concentric spherical media with different refractive indices, the scattering angle is analytically derived as a function of the impact parameter and the relative velocity of the colliding particles; depending on the values of those two quantities, collisions can be soft, hard, or grazing. Next, by standard application of known general results from the Chapman--Enskog method, the Navier--Stokes transport coefficients in the first-order approximation are numerically evaluated. It is found that the PSW coefficients are practically indistinguishable from the SW ones for temperatures low enough (kBT0.2ϵrk_BT\lesssim 0.2 \epsilon_r), there exists a transition regime (0.2ϵrkBT10ϵr0.2 \epsilon_r\lesssim k_BT\lesssim 10\epsilon_r) where the transport coefficients interpolate between the SW and the PS ones, and finally the PSW coefficients are comparable to the PS ones for high enough temperatures (kBT10ϵrk_BT\gtrsim 10\epsilon_r). The results are applied to the temperature profiles of the planar Fourier flow.

Keywords

Cite

@article{arxiv.1809.10095,
  title  = {Kinetic Theory of Soft Matter. The Penetrable-Square-Well Model},
  author = {José Luis Sánchez-Tena and Andrés Santos and Pablo Pajuelo},
  journal= {arXiv preprint arXiv:1809.10095},
  year   = {2019}
}

Comments

10 pages, 6 figures; contributed paper at the 31st International Symposium on Rarefied Gas Dynamics (Glasgow, UK, July 23-27, 2018); v2: new section added