Mathematical modeling of butadiene rubber synthesis process on neodymium-containing catalyst system

The synthesis of butadiene rubber mediated by a lanthanide catalyst system based on neodymium(III) chloride in a batch reactor was mathematically modeled. The mechanism of the process was identified and the rate constants of various reaction steps were determined. It was found that chain transfer reactions with different rate constants have an effect on the molecular-mass characteristics of butadiene rubber.     

Simulation of butadiene rubber synthesis on cobalt- and neodymium-containing catalytic systems in reactor cascades with heat removal

The synthesis of butadiene rubber on cobalt- and neodymium-containing catalytic systems in a reactor cascade has been simulated taking into account heat removal through the reactor jackets. The problem of optimization of the operating regime has been solved for butadiene polymerization in a cascade of continuous reactors. The regions of initial process parameters admissible for obtaining a high-quality rubber have been determined.     

Mechanism of Butadiene Polymerization on Cobalt-Containing Catalyst

Based on experimental results and reference data, the main elementary stages of butadiene polymerization on a cobalt-containing catalyst were determined and a mathematical model of the polymerization was developed. The following characteristics of the process were studied using this model: number-average, weight-average, and sedimentation-average degrees of polymerization and branching factor.