Monosized sphere packing approach in the nanoporous structure modeling

Larysa Burtseva, Alexey Pestryakov, Vitalii Petranovskii

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Citations (Scopus)

Abstract

In many structural models atoms appear as hard monosized spheres. The properties of nanostructured porous matrix filled by adsorbed substance strongly depend on the density of atoms in nanochannels, those can be interpreted as cylinders. The problem of densest packing of monosized spheres in a cylindrical container is considered. It belongs to the optimization problems of Computational Geometry and is known to be NP-hard, i.e. its exact solution cannot be obtained in a polynomial time. Some approaches of the problem, which are applicable for modeling of nanoporous structures, are discussed. The classifications of packing models and known maximal densities are given. Three approaches represent different approximations in the modeling of packing's. Those are: i) the numerical simulation, based on the geometrical properties, wall effects, and determination of stable position of spheres under gravity; ii) the Voronoi-Delaunay network, which models the channel structure in 3D space; and iii) the non-linear mathematical programming methods employed for densest packing search through cylinder height minimizing. These methods can be used for diverse nanoporous structure designs.

Original languageEnglish
Title of host publicationProceedings - 2012 7th International Forum on Strategic Technology, IFOST 2012
DOIs
Publication statusPublished - 2012
Event2012 7th International Forum on Strategic Technology, IFOST 2012 - Tomsk, Russian Federation
Duration: 18 Sep 201221 Sep 2012

Other

Other2012 7th International Forum on Strategic Technology, IFOST 2012
CountryRussian Federation
CityTomsk
Period18.9.1221.9.12

Keywords

  • cylinder
  • modeling
  • monosized sphere packing
  • nanochannel
  • nanoporous structure
  • optimization

ASJC Scopus subject areas

  • Management of Technology and Innovation

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  • Cite this

    Burtseva, L., Pestryakov, A., & Petranovskii, V. (2012). Monosized sphere packing approach in the nanoporous structure modeling. In Proceedings - 2012 7th International Forum on Strategic Technology, IFOST 2012 [6357573] https://doi.org/10.1109/IFOST.2012.6357573