Open AccessMonte Carlo method for modelling the copolymerization of isobutylene and isoprene
Author(s) -
I O Antonova,
Regina Dmitricheva,
V. V. Bronskaya,
G. V. Manuyko,
О. В. Харитонова,
Denis Balzamov
Publication year - 2021
Publication title -
iop conference series. earth and environmental science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 26
eISSN - 1755-1307
pISSN - 1755-1315
DOI - 10.1088/1755-1315/677/5/052062
Subject(s) - isoprene , isobutylene , copolymer , monte carlo method , monomer , chain transfer , polymerization , work (physics) , reagent , chain (unit) , materials science , polymer chemistry , radical polymerization , chemistry , thermodynamics , physics , mathematics , organic chemistry , polymer , quantum mechanics , statistics
There is the algorithm of modelling the copolymerization of isobutylene and isoprene in the medium of methyl chloride. This algorithm is based on the Monte Carlo method. The algorithm allows to perform simulations with a large value of the statistical ensemble at a saleable using of computer time. Whereby, the following reactions are modelled: initiation, chain growth and chain transfer to the monomer. In the process of work, the program calculates the dependence of the concentrations of all reagents on the polymerization time: active centres, monomers and chain transfer agents. The result of the calculation is the molecular-weight distribution curve.