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.
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
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