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Correction published on 11 March 2019, see Materials 2019, 12(5), 818.

Open AccessArticle
Materials 2018, 11(10), 1901; https://doi.org/10.3390/ma11101901

Filling of Irregular Channels with Round Cross-Section: Modeling Aspects to Study the Properties of Porous Materials

1
Instituto de Ingeniería, Universidad Autónoma de Baja California, Calle de la Normal S/N, Col. Insurgentes Este, Mexicali 21270, Mexico
2
Institut für Mathematische Optimierung, Otto-von-Guericke-Universität Magdeburg, Universitätsplatz 2, 39106 Magdeburg, Germany
3
Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Carretera Tijuana-Ensenada km107, Playitas, Ensenada 22860, Mexico
*
Author to whom correspondence should be addressed.
Received: 17 August 2018 / Revised: 25 September 2018 / Accepted: 27 September 2018 / Published: 5 October 2018
(This article belongs to the Special Issue Randomness and Uncertainty)
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Abstract

The filling of channels in porous media with particles of a material can be interpreted in a first approximation as a packing of spheres in cylindrical recipients. Numerous studies on micro- and nanoscopic scales show that they are, as a rule, not ideal cylinders. In this paper, the channels, which have an irregular shape and a circular cross-section, as well as the packing algorithms are investigated. Five patterns of channel shapes are detected to represent any irregular porous structures. A novel heuristic packing algorithm for monosized spheres and different irregularities is proposed. It begins with an initial configuration based on an fcc unit cell and the subsequent densification of the obtained structure by shaking and gravity procedures. A verification of the algorithm was carried out for nine sinusoidal axisymmetric channels with different Dmin/Dmax ratio by MATLAB® simulations, reaching a packing fraction of at least 0.67 (for sphere diameters of 5%Dmin or less), superior to a random close packing density. The maximum packing fraction was 73.01% for a channel with a ratio of Dmin/Dmax = 0.1 and a sphere size of 5%Dmin. For sphere diameters of 50%Dmin or larger, it was possible to increase the packing factor after applying shaking and gravity movements. View Full-Text
Keywords: porous material; sphere packing; channel pattern; boundary; irregular shape; fcc structure; randomization; Brownian motion porous material; sphere packing; channel pattern; boundary; irregular shape; fcc structure; randomization; Brownian motion
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Ungson, Y.; Burtseva, L.; Garcia-Curiel, E.R.; Valdez Salas, B.; Flores-Rios, B.L.; Werner, F.; Petranovskii, V. Filling of Irregular Channels with Round Cross-Section: Modeling Aspects to Study the Properties of Porous Materials. Materials 2018, 11, 1901.

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