Monte Carlo simulation of the three-dimensional free-radical polymerization of tetrafunctional monomers

Автор: Sivergin Yuriy Mikhaylovich, Usmanov Salavat Mudarisovich, Gaysin Fanil Rafakovich, Kovarskiy Aleksandr Lvovich

Журнал: НБИ технологии @nbi-technologies

Рубрика: Инновации в химических науках

Статья в выпуске: 2 (25), 2017 года.

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For the first time in the world practice the results of simulation by Monte Carlo method of the kinetics of three-dimensional free-radical polymerization of tetrafunctional monomers (TFM) have been obtained in the framework of the formation of a unitary three-dimensional structural element (UTDSE) and its structure formation on the simple cubic lattice, depending on the length l of molecules tetrafunctional monomers (l = 1 to 40 ribs of the lattice). Peculiarities of kinetics of changes in parameters such as the degree of polymerization of the Pn UTDSE, the number of radicals, the number of cross-links and cycles, and other characteristics are revealed. It is established that UTDSE are characterized by low levels of Pn, and an explanation of this phenomenon is given.

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Mathematical modeling, monte carlo method, polymerization, tetrafunctional monomers, length of molecules

Короткий адрес: https://sciup.org/14968454

IDR: 14968454   |   DOI: 10.15688/jvolsu10.2017.2.4

Список литературы Monte Carlo simulation of the three-dimensional free-radical polymerization of tetrafunctional monomers

  • Berlin А.А., Кеfely Т.Ya., Коrolev G.V. Polyesteracrylates. Moscow, Nauka Publ., 1967.
  • Chiu Y.Y., Lee L.J. J. Polym. Sci.: Part A: Polymer Chemistry, 1995, vol. 33, no. 2, p. 269.
  • Gaisin F.R., Sivergin Yu.M., Usmanov S.M. Monte Carlo Simulation of the Three-dimensional Free-radical Polymerization of Tetra-functional Monomers (On Lattices of Different Dimensions and Geometry as a Part of the Formation of a Single Three-Dimensional Structural Element). Moscow, Altair Publ., 2010, Part 2.
  • Gaisin F.R., Sivergin Yu.M., Usmanov S.M. Monte Carlo Simulation of the Three-dimensional Free-radical Polymerization of Tetra-functional Monomers (On Lattices of Different Dimensions and Geometry as a Part of the Formation of a Single Three-Dimensional Structural Element). Moscow, Altair Publ., 2010, Part 3.
  • Gaisin F.R., Sivergin Yu.M., Usmanov S.M. Monte Carlo Simulation of the Three-dimensional Free-radical Polymerization of Tetra-functional Monomers (On Lattices of Different Dimensions and Geometry as a Part of the Formation of a Single Three-Dimensional Structural Element). Moscow, Altair Publ., 2010, Part 4.
  • Gaisin F.R., Sivergin Yu.M., Usmanov S.M. Monte Carlo Simulation of the Three-dimensional Free-radical Polymerization of Tetra-functional Monomers (On Lattices of Different Dimensions and Geometry as a Part of the Formation of a Single Three-Dimensional Structural Element). Ufa, Gilem Publ., 2009.
  • Pavlova O.V., Kireeva S.M., Sivergin Yu.M. Acta Polymer, 1992, vol. 43, p. 114..
  • Pavlova O.V., Kireeva S.M., Sivergin Yu.M. Polymer Science, 1987, vol. 29А, p. 1777..
  • Pavlova O.V., Kireeva S.M., Sivergin Yu.M. Vysokomol. Soed., 1990, vol. 32А, p. 1256..
  • Sivergin Yu.M., Perniks R.Ya., Кireeva S.М. Polycarbonatmethakrylates. Riga, Zinatne, 1988.
  • Sivergin Yu.M., Stankevitch I.V. Chemical Physics, 2006, vol. 25, no 1, p. 89..
  • Sivergin Yu.M., Stankevitch I.V. Plastics, 2005, no. 5, p. 35..
  • Sivergin Yu.M., Usmanov S.M. Synthesis and Properties of Oligoestermethacrylates. Moscow, Khimiya Publ., 2000.
  • Usmanov S.M., Gaisin F.R., Sivergin Yu.M. Russian plastics technology journal, 2005, no. 8, p. 19..
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