title: Modeling the arrangement of particles in natural swelling-clay porous media using three-dimensional packing of elliptic disks.
abstract: Swelling clay minerals play a key role in the control of water and pollutant migration in natural media such as soils. Moreover, swelling clay particles' orientational properties in porous media have significant implications for the directional dependence of fluid transfer. Herein we investigate the ability to mimic the organization of particles in natural swelling-clay porous media using a three-dimensional sequential particle deposition procedure [D. Coelho, J.-F. Thovert, and P. M. Adler, Phys. Rev. E 55, 1959 (1997)]. The algorithm considered is first used to simulate disk packings. Porosities of disk packings fall onto a single master curve when plotted against the orientational scalar order parameter value. This relation is used to validate the algorithm used in comparison with existing ones. The ellipticity degree of the particles is shown to have a negligible effect on the packing porosity for ratios ℓ(a)/ℓ(b) less than 1.5, whereas a significant increase in porosity is obtained for higher values. The effect of the distribution of the geometrical parameters (size, aspect ratio, and ellipticity degree) of particles on the final packing properties is also investigated. Finally, the algorithm is used to simulate particle packings for three size fractions of natural swelling-clay mineral powders. Calculated data regarding the distribution of the geometrical parameters and orientation of particles in porous media are successfully compared with experimental data obtained for the same samples. The results indicate that the obtained virtual porous media can be considered representative of natural samples and can be used to extract properties difficult to obtain experimentally, such as the anisotropic features of pore and solid phases in a system.
authors.affiliation: Université de Poitiers, CNRS, UMR 7285, Equipe HydrASA Laboratoire, Institut de Chimie des Milieux et Matériaux de Poitiers, F-86022 Poitiers, France.
authors.forename: Eric
authors.initials: E
authors.lastname: Ferrage
authors.affiliation: Université de Poitiers, CNRS, UMR 7285, Equipe HydrASA Laboratoire, Institut de Chimie des Milieux et Matériaux de Poitiers, F-86022 Poitiers, France.
authors.forename: Fabien
authors.initials: F
authors.lastname: Hubert
authors.affiliation: Université de Poitiers, CNRS, UMR 7285, Equipe HydrASA Laboratoire, Institut de Chimie des Milieux et Matériaux de Poitiers, F-86022 Poitiers, France.
authors.forename: Emmanuel
authors.initials: E
authors.lastname: Tertre
authors.affiliation: Université d'Orléans, CNRS, UMR 7374, Interfaces, Confinement, Matériaux et Nanostructures, F-45071 Orléans, France.
authors.forename: Alfred
authors.initials: A
authors.lastname: Delville
authors.affiliation: Université Pierre et Marie Curie, CNRS, UMR 8234, Physicochimie des Electrolytes et Nanosystèmes Interfaciaux, F- 72522 Paris, France.
authors.forename: Laurent J
authors.initials: LJ
authors.lastname: Michot
authors.affiliation: Université Pierre et Marie Curie, CNRS, UMR 8234, Physicochimie des Electrolytes et Nanosystèmes Interfaciaux, F- 72522 Paris, France.
authors.forename: Pierre
authors.initials: P
authors.lastname: Levitz