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

Michael A. Klatt, Robert M. Ziff, and Salvatore Torquato
Phys. Rev. E 104, 014127 – Published 22 July 2021

Abstract

Transport properties of porous media are intimately linked to their pore-space microstructures. We quantify geometrical and topological descriptors of the pore space of certain disordered and ordered distributions of spheres, including pore-size functions and the critical pore radius δc. We focus on models of porous media derived from maximally random jammed sphere packings, overlapping spheres, equilibrium hard spheres, quantizer sphere packings, and crystalline sphere packings. 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. The critical pore radius δc is often used as the key characteristic length scale that determines the fluid permeability k. A recent study [Torquato, Adv. Wat. Resour. 140, 103565 (2020)] suggested for porous media with a well-connected pore space an alternative estimate of k based on the second moment of the pore size δ2, which is easier to determine than δc. Here, we compare δc to the second moment of the pore size δ2, and indeed confirm that, for all porosities and all models considered, δc2 is to a good approximation proportional to δ2. However, unlike δ2, the permeability estimate based on δc2 does not predict the correct ranking of k for our models. Thus, we confirm δ2 to be a promising candidate for convenient and reliable estimates of the fluid permeability 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 order metric. We find that (effectively) hyperuniform models tend to have lower values of k than their nonhyperuniform counterparts. Our findings could facilitate the design of porous media with desirable transport properties via targeted pore statistics.

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  • Received 20 April 2021
  • Accepted 29 June 2021

DOI:https://doi.org/10.1103/PhysRevE.104.014127

©2021 American Physical Society

Physics Subject Headings (PhySH)

Interdisciplinary Physics

Authors & Affiliations

Michael A. Klatt1,2,*, Robert M. Ziff3,†, and Salvatore Torquato1,4,‡

  • 1Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
  • 2Institut für Theoretische Physik, FAU Erlangen-Nürnberg, Staudtstr. 7, 91058 Erlangen, Germany
  • 3Center for the Study of Complex Systems and Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA
  • 4Department of Chemistry, Princeton Institute for the Science and Technology of Materials, and Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA

  • *mklatt@princeton.edu
  • rziff@umich.edu
  • torquato@princeton.edu

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Vol. 104, Iss. 1 — July 2021

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