Pore Structure Study by Computer Simulation of Dense and Loose Packings of Spherical Particles Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1999, Volume: 40, Number: 4, Pages: 554-562 Pages count : 9 DOI: 10.1007/BF02700718 | ||||
Tags | Empty Space; Close Packing; Percolation Cluster; Probe Radius; Loose Packing | ||||
Authors |
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Affiliations |
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Funding (2)
1 | Siberian Branch of the Russian Academy of Sciences | 97-29 |
2 | Russian Foundation for Basic Research | 98-03-32371 |
Abstract:
Packings of spherical particles modeling monodisperse silica gels of varying density are constructed by the Monte Carlo method. Each model contains 8000 particles in a cube with periodic boundary conditions. Models with densities (extents of space filling) η = 0.59 and η = 0.37 were studied in detail. For quantitative analysis of the structure of empty interparticle space, Voronoi-Delaunay geometrical constructions are used. By analogy with the mercury porosimetry method, the “intrusion” curves, indicating the fraction of the pore volume accessible for a probe of the given size are built. The results of a standard analysis of these curves and the real arrangement of interparticle space in these models are discussed. The approach using the numerical simulation and the geometrical method suggested for model analysis is a promising trend in structural studies of porous materials.
Cite:
Voloshin V.P.
, Medvedev N.N.
, Fenelonov V.B.
, Parmon V.N.
Pore Structure Study by Computer Simulation of Dense and Loose Packings of Spherical Particles
Journal of Structural Chemistry. 1999. V.40. N4. P.554-562. DOI: 10.1007/BF02700718 WOS Scopus РИНЦ
Pore Structure Study by Computer Simulation of Dense and Loose Packings of Spherical Particles
Journal of Structural Chemistry. 1999. V.40. N4. P.554-562. DOI: 10.1007/BF02700718 WOS Scopus РИНЦ
Original:
Волошин В.П.
, Медведев Н.Н.
, Фенелонов В.Б.
, Пармон В.Н.
Исследование структуры пор в компьютерных моделях плотных и рыхлых упаковок сферических частиц
Журнал структурной химии. 1999. Т.40. №4. С.681-692. РИНЦ
Исследование структуры пор в компьютерных моделях плотных и рыхлых упаковок сферических частиц
Журнал структурной химии. 1999. Т.40. №4. С.681-692. РИНЦ
Dates:
Submitted: | Jul 2, 1998 |
Published print: | Jul 1, 1999 |
Identifiers:
Web of science | WOS:000084782600010 |
Scopus | 2-s2.0-0033268311 |
Elibrary | 31808458 |
Chemical Abstracts | 2000:61920 |
Chemical Abstracts (print) | 132:113365 |
OpenAlex | W2049848386 |