Monte Carlo method for modelling the copolymerization of isobutylene and isoprene

Abstract

Abstract 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.