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Russian Journal of Physical Chemistry B

, Volume 9, Issue 6, pp 952–960 | Cite as

Influence of the size of the cubic lattice and the activity of its walls on the kinetics of the formation of a unitary three-dimensional structural element

Chemical Physics of Polymer Materials
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Abstract

The results of Monte Carlo simulations of the kinetics of the three-dimensional free-radical polymerization of tetrafunctional monomers (TFM) in terms of the formation of a unitary three-dimensional structural element (UTSE) are presented. The process is simulation on 103 → 503-sized cubic lattices with walls of different activity with respect to free radicals. Changes in the degree of UTSE polymerization, number of crosslinks and cycles, mechanisms of chains crosslinking and cyclization and other parameters caused by changes of the conditions of three-dimensional free-radical polymerization of TFM, as well as the difference between the effects of active and inert walls, are reported.

Keywords

numerical experiment Monte Carlo method tetrafunctional monomer free radical three-dimensional polymerization kinetics unitary three-dimensional structural element 

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Copyright information

© Pleiades Publishing, Ltd. 2015

Authors and Affiliations

  • Yu. M. Sivergin
    • 1
  • S. M. Kireeva
    • 1
  • S. M. Usmanov
    • 2
  1. 1.Semenov Institute of Chemical PhysicsRussian Academy of SciencesMoscowRussia
  2. 2.Birsk Branch Bashkir State UniversityBirskRussia

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