Open AccessComputer simulation of block polymerization of 1,6-Hexanediol Diacrylate
Author(s) -
E. D. Shakir’yanov
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2131/2/022006
Subject(s) - polymerization , mixing (physics) , diffusion , monte carlo method , materials science , thermodynamics , block (permutation group theory) , reaction rate constant , radical polymerization , ideal (ethics) , reaction rate , volume (thermodynamics) , constant (computer programming) , process (computing) , polymer chemistry , chemistry , kinetics , computer science , polymer , organic chemistry , mathematics , composite material , physics , catalysis , philosophy , operating system , geometry , epistemology , quantum mechanics , programming language , statistics
In this paper, a computer model of the block three-dimensional free-radical polymerization of 1,6-Hexanediol Diacrylate (HDDA) is proposed. The model of the reaction system is based on an ideal mixing reactor. The reaction process is modeled by the Monte Carlo method. Accounting for the diffusion inhibition of the reaction is described using the free volume model. An adequate description of the experimental data of the calculated conversion rate curve is obtained. The nature of the change in the rate constant of the growth reaction with increasing conversion is shown.