Vol. 84 No. 3 (2025)
COMPUTER SIMULATION AND CALCULATIONS

Calculation of Activation Parameters of Conjugated Dienes Polymerization. Part 1. The Initiation Stage

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  • A.N. Masliy ,
  • I.G. Akhmetov,
  • I.M. Davletbaeva,
  • M.I. Falyakhov,
  • A.M. Kuznetsov

Published 2025-06-29

How to Cite

[1]
Masliy А. , Akhmetov И. , Davletbaeva И. , Falyakhov М. and Kuznetsov А. 2025. Calculation of Activation Parameters of Conjugated Dienes Polymerization. Part 1. The Initiation Stage. Kauchuk i Rezina. 84, 3 (Jun. 2025), 166–173.

Abstract

In this work, a detailed study of the initiation stage for the polymerization of 1,3-butadiene and isoprene using the neodymium Ziegler-Natta catalyst was carried out. The results obtained allow us to conclude that the formation of anti- and syn-π-allyl structures in the terminal link of the growing polymer chain is equally probable in the case of 1,3-butadiene polymerization. In the case of asymmetric isoprene, the formation of an anti-π-allyl structure in which the methyl group of the monomer is closer to the active center is most probable.

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