Modeling of Butadiene Polymerization with a Multicenter Titanium Catalyst Using the Monte Carlo Inversion Algorithm

Мұқаба

Дәйексөз келтіру

Толық мәтін

Ашық рұқсат Ашық рұқсат
Рұқсат жабық Рұқсат берілді
Рұқсат жабық Тек жазылушылар үшін

Аннотация

For butadiene polymerization with the multicenter catalyst TiCl4–Al(i-C4H9)3 the inverse kinetic task with identification of the kinetic scheme and determination of the kinetic parameters is solved. The preliminary experimental molecular weight distribution of polybutadiene macromolecules is approximated by the superposition of Flory distributions. Polymerization is modeled by the Monte Carlo method using a novel fast “inversion” algorithm that enables the time of calculations to be reduced by two orders of magnitude compared with the classical scheme of the method. It is shown that for identification of the kinetic scheme of diene polymerization in the presence of multicenter catalysts coincidence between the experimental and calculated dependences of monomer conversion on time and the dependences of average weights (or average degrees of polymerization) on polymerization time is insufficient. Coincidence between molecular weight distributions at all polymerization times is also required

Авторлар туралы

V. Yanborisov

Ufa University of Science and Technology

Email: yanborisovvm@mail.ru
450076, Ufa, Russia

D. Styazhkin

Ufa Institute of Chemistry, Ufa Federal Research Center, Russian Academy of Sciences

Email: yanborisovvm@mail.ru
450054, Ufa, Russia

V. Mingaleev

Ufa Institute of Chemistry, Ufa Federal Research Center, Russian Academy of Sciences

Email: yanborisovvm@mail.ru
450054, Ufa, Russia

V. Zakharov

Ufa University of Science and Technology

Хат алмасуға жауапты Автор.
Email: yanborisovvm@mail.ru
450076, Ufa, Russia

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© В.М. Янборисов, Д.В. Стяжкин, В.З. Мингалеев, В.П. Захаров, 2023