English

Critical pore radius and transport properties of disordered hard- and overlapping-sphere models

Soft Condensed Matter 2021-07-27 v2 Materials Science Statistical Mechanics

Abstract

Descriptors that characterize the geometry and topology of the pore space of porous media are intimately linked to their transport properties. We quantify such descriptors, including pore-size functions and the critical pore radius δc\delta_c, for four different models: maximally random jammed sphere packings, overlapping spheres, equilibrium hard spheres, and inherent structures of the quantizer energy. For precise estimates of the percolation thresholds, we use a strict relation of the void percolation around sphere configurations to weighted bond percolation on the corresponding Voronoi networks. We use the Newman-Ziff algorithm to determine the percolation threshold using universal properties of the cluster size distribution. Often, δc\delta_c is used as the key characteristic length scale that determines the fluid permeability kk. A recent study [Torquato. Adv. Wat. Resour. 140, 103565 (2020)] suggested for porous media with a well-connected pore space an alternative estimate of kk based on the second moment of the pore size δ2\langle\delta^2\rangle. Here, we confirm that, for all porosities and all models considered, δc2\delta_c^2 is to a good approximation proportional to δ2\langle\delta^2\rangle. However, unlike δ2\langle\delta^2\rangle, the permeability estimate based on δc2\delta_c^2 does not predict the correct ranking of kk for our models. Thus, we confirm δ2\langle\delta^2\rangle to be a promising candidate for convenient and reliable estimates of kk for porous media with a well-connected pore space. Moreover, we compare the fluid permeability of our models with varying degrees of order, as measured by the τ\tau order metric. We find that (effectively) hyperuniform models tend to have lower values of kk than their nonhyperuniform counterparts. Our findings could facilitate the design of porous media with desirable transport properties via targeted pore statistics.

Keywords

Cite

@article{arxiv.2104.09092,
  title  = {Critical pore radius and transport properties of disordered hard- and overlapping-sphere models},
  author = {Michael A. Klatt and Robert M. Ziff and Salvatore Torquato},
  journal= {arXiv preprint arXiv:2104.09092},
  year   = {2021}
}