Application of Monte Carlo Method in the Construction of Copolymerization Process Modeling Algorithm for the Continuous Mode in the Reactors Cascade

The article proposes an algorithm for modeling of the process monomers copolymerization, which is carried out in a continuous mode in a cascade of consistently connected reactors of ideal mixing. The algorithm is based on the Monte-Carlo method. It is based on the imitation of growth of each macromolecule of the formed copolymer and fixation of the processes occurring with it. Since the process is conducted in a continuous mode, the algorithm takes into account the distribution of product particles according to the time spent in the system, as well as the constant flow of reaction mixture into the first cascade reactor. The model built on the basis of the algorithm allows to estimate indicators of the product at any time, namely: to predict molecular-mass and viscosity characteristics, mass content of the original monomers in the copolymer, to carry out calculation of molecular-mass distribution, to investigate composite heterogeneity of a product. The proposed algorithm can be implemented as a software tool, in this connection the article proposes an approach to the storage and processing of used data. According to the results of the research a number of computational experiments on modelling of production of butadiene-slipper synthetic rubber in industrial conditions were carried out. The basis of its production is the process of low copolymerization of butadiene with styrene in emulsion. The simulated results reflect consistency with the experimental data.