Simulation of the polymerization process of butadiene per neodymium catalytic system

• Published in: Journal of physics. Conference series Vol. 1096; no. 1; pp. 12152 - 12158
• Main Authors: Grigoryev, I V, Mustafina, S A
• Format: Journal Article
• Language: English
• Published: Bristol IOP Publishing 01.12.2018
• Subjects: Butadiene; Computer simulation; Differential equations; Mathematical analysis; Mathematical models; Neodymium; Ordinary differential equations; Polymerization
• ISSN: 1742-6588; 1742-6596
• DOI: 10.1088/1742-6596/1096/1/012152

A mathematical model of the synthesis of butadiene rubber in a continuous reactor under the action of a neodymium-containing catalytic system has been described. The mathematical model allows to study the process, to study the dynamics of the concentrations of reacting substances and to predict the properties of the product. An infinite number of ordinary differential equations, describing infinite number of the reaction components, has been used. Using the method of statistical moments, the infinite system of ordinary differential equations has been reduced to a system with a finite number of equations. Thus, it becomes solvable. On the basis of the mathematical model, the values of the monomer concentrations versus the polymerization time have been constructed, and the values of number average and weight average molecular weights have been found.The conditions of polymerization of butadiene on different catalytic systems are chosen. Results of the computer simulation are showed satisfactory agreement with experimental data.