Crowding of interacting fluid particles in porous media through molecular dynamics: breakdown of universality for soft interactions

TL;DR

This study uses molecular dynamics to show that soft particle interactions in porous media lead to non-universal dynamics, contrasting with hard particle models and revealing cooperative effects that influence transport and localization.

Contribution

It demonstrates that soft interactions cause a breakdown of universality in the dynamics of particles in porous media, unlike the hard disk models.

Findings

Soft interactions enhance transport at higher densities.

The transition from diffusive to localized states is rounded.

Effective exponents vary with density and do not reflect critical behavior.

Abstract

Molecular dynamics simulations of interacting soft disks confined in a heterogeneous quenched matrix of soft obstacles show dynamics which is fundamentally different from that of hard disks. The interactions between the disks can enhance transport when their density is increased, as disks cooperatively help each other over the finite energy barriers in the matrix. The system exhibits a transition from a diffusive to a localized state but the transition is strongly rounded. Effective exponents in the mean-squared displacement can be observed over three decades in time but depend on the density of the disks and do not correspond to asymptotic behavior in the vicinity of a critical point, thus showing that it is incorrect to relate them to the critical exponents in the Lorentz model scenario. The soft interactions are therefore responsible for a breakdown of the universality of the dynamics.