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.
Similar content being viewed by others
References
F. R. Gaisin, Yu. M. Sivergin, and S. M. Usmanov, Monte Carlo Simulation of the ThreeDimensional Free-Radical Polymerization of Tetrafunctional Monomers on Lattices of Different Dimensions and Geometry as a Part of the Formation of a Single ThreeDimensional Struc-tural Element (Gilem, Ufa, 2009), Vol. 1 [in Russian].
Yu. M. Sivergin and S. M. Usmanov, Monte Carlo Sim-ulation of the ThreeDimensional FreeRadical Polymer-ization of Tetrafunctional Monomers on Lattices of Dif-ferent Dimensions and Geometry as a Part of the Forma-tion of a Single ThreeDimensional Structural Element (Al’tair, Moscow, 2009), Vol. 2/1 [in Russian].
Yu. M. Sivergin and S. M. Usmanov, Monte Carlo Sim-ulation of the ThreeDimensional FreeRadical Polymer-ization of Tetrafunctional Monomers on Lattices of Dif-ferent Dimensions and Geometry as a Part of the Forma-tion of a Single ThreeDimensional Structural Element (Al’tair, Moscow, 2009), Vol. 2/2 [in Russian]
D. C. Doherty, B. N. Holmes, P. Leung, and R. B. Ross, Comput. Theor. Polym. Sci. 8, 169 (1998).
H. Gao, P. Polanowski, and K. Matyjaszewski, Macro-molecules 42, 5925 (2009).
I. De irmenei, V. Aviyente, V. van Speybroeck, and M. Wavoquier, Macromolecules 42, 3033 (2009).
Yu. M. Sivergin and I. V. Stankevich, Plast. Massy, No. 5, 35 (2005).
Yu. M. Sivergin and I. V. Stankevich, Plast. Massy, No. 11, 30 (2006).
Yu. M. Sivergin and I. V. Stankevich, Plast. Massy, No. 2, 32 (2007).
Yu. M. Sivergin and I. V. Stankevich, Khim. Fiz. 25 (1), 89 (2006).
S. S. Kim and D. C. Westmoreland, J. Pol. Sci.Pol. Chem. 32, 3031 (1994).
M. J. Ballord, R. G. Gilbert, D. H. Nappar, et al., Mac-romolecules 19, 1303 (1986).
W. Lau and D. C. Westmoreland, Macromolecules 25, 4448 (1992).
H. R. Chang, H. Y. Parker, and D. C. Westmoreland, Macromolecules 25, 5557 (1992).
J. He, X. Tong, and Y. Zhao, Macromolecules 42, 4845 (2009).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © Yu.M. Sivergin, S.M. Kireeva, S.M. Usmanov, 2015, published in Khimicheskaya Fizika, 2015, Vol. 34, No. 11, pp. 55–62.
Rights and permissions
About this article
Cite this article
Sivergin, Y.M., Kireeva, S.M. & Usmanov, S.M. 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. Russ. J. Phys. Chem. B 9, 952–960 (2015). https://doi.org/10.1134/S1990793115060111
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1990793115060111