Modeling of the physicochemical hydrodynamics of the synthesis of butadiene rubber on the TiCl4−Al(i-C4H9)3 catalytic system modified in turbulizing flows

• Published in: Russian journal of physical chemistry. B Vol. 11; no. 3; pp. 504 - 512
• Main Authors: Tereshchenko, K. A., Ziganshina, A. S., Zakharov, V. P., Ulitin, N. V.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.05.2017; Springer Nature B.V
• Subjects: Butadiene; Catalysis; Chemical Physics of Polymer Materials; Chemical synthesis; Chemistry; Chemistry and Materials Science; Computational fluid dynamics; Computer simulation; Diffusers; Fluid flow; Fluid mechanics; Hydrodynamics; Mathematical models; Physical Chemistry; Rubber; catalytic system activity; butadiene rubber; inverse kinetic problem; titanium catalytic system; polymerization kinetics; tubular turbulizing apparatus
• ISSN: 1990-7931; 1990-7923
• DOI: 10.1134/S1990793117030101

A model of the physicochemical hydrodynamics of the synthesis of butadiene rubber on the TiCl 4 −Al( i -C 4 H 9 ) 3 catalytic system modified by turbulizing flows is developed. The model includes a hydrodynamics block for describing the dispersion of TiCl 4 −Al( i -C 4 H 9 ) 3 catalytic system particles in a tubular turbulizing apparatus of diffuser–confuser type, a block for calculating the concentrations of active sites of all types on TiCl 4 −Al( i -C 4 H 9 ) 3 particles proceeding from their size and taking into account the disjoining effect, and a macrokinetics block for simulating the synthesis of butadiene rubber in a stirred reactor. The kinetic constants of the process at 298 K are determined from the condition of best match between the kinetic curves and molecular- weight characteristics of the butadiene rubber calculated by the model and measured in experiment.