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JOURNALS // Chemical Physics and Mesoscopics // Archive

CPM, 2015 Volume 17, Issue 3, Pages 460–470 (Mi chphm58)

The influence of the molecule length of tetrafunctional monomers upon the kinetics of their polymerization in the frames of forming a nanoglobule

Y. M. Sivergina, F. R. Gaisinb, S. M. Kireyevaa, S. M. Usmanovb

a Semenov Institute of Chemical Physics RAS, Moscow, Russia
b Birsk Branch Bashkir State University, Birsk, Russia

Abstract: The investigation of the kinetics of the three-dimensional free radical polymerization of tetra-functional monomers (TFM) was carried out by the Monte Carlo method (the numerical experiment) in the frames of nanoglobule (UTSE) formation upon the simple cubical lattice 40×40×40 depending on the length of the molecule of TFM. The influence of the TFM molecule on the UTSE degree of polymerization, the kinetics of the change of the number of radicals, cross-links, cycles, residual unsaturation, the mechanisms of elementary reactions in the processes of cross-linking of macro-chains and cycle-formation was established. The bimodal character of the granulo-metric distribution of UTSE was found.

Keywords: Monte Carlo method, simulation, radical, cycles, cross-links, the degree of polymerization, unitary three-dimensional structural element, granulo-metric distribution.

UDC: 541(64+15):542.952



© Steklov Math. Inst. of RAS, 2024