KFU. Card publication. Analysis of the Mechanism of Polybutadiene Synthesis in the Presence of the Neodymium Versatate + Diisobutylaluminum Hydride + Ethylaluminum Sesquichloride Catalytic System within the Solution of the Inverse Kinetic Problem

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ANALYSIS OF THE MECHANISM OF POLYBUTADIENE SYNTHESIS IN THE PRESENCE OF THE NEODYMIUM VERSATATE + DIISOBUTYLALUMINUM HYDRIDE + ETHYLALUMINUM SESQUICHLORIDE CATALYTIC SYSTEM WITHIN THE SOLUTION OF THE INVERSE KINETIC PROBLEM

Form of presentation

Articles in international journals and collections

Year of publication

2022

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Authors, employees of KFU

Madzhidov Timur Ismailovich, author

Bibliographic description in the original language

Tereshchenko K.A. Analysis of the Mechanism of Polybutadiene Synthesis in the Presence of the Neodymium Versatate + Diisobutylaluminum Hydride + Ethylaluminum Sesquichloride Catalytic System within the Solution of the Inverse Kinetic Problem / Tereshchenko K.A., Ulitin N.V., Bedrina P.S., Shiyan D.A., Lifanov A.D., Madzhidov T.I., Rusanova S.N., Volfson S.I. // Industrial and Engineering Chemistry Research. - 2022. - Vol. 61, Is. 43. - P. 15961-15969.

Annotation

A kinetic model is proposed for polybutadiene synthesis in the presence of the neodymium versatate + diisobutylaluminum hydride + ethylaluminum sesquichloride (NdV + DIBAH + EASC) catalytic system. As a result of solving the inverse kinetic problem, the rate coefficients of reactions were determined. At a quantitative level, it has been shown that polybutadiene synthesis in the presence of the NdV + DIBAH + EASC catalytic system can run according to the scheme, which includes only the chain propagation, chain termination, chain transfer to butadiene, and DIBAH. This fact testifies against the need to involve the reactions of the coordinative chain transfer polymerization mechanism to describe the kinetic regularities of the process in question. Based on the bimodal form of the experimental molar mass distributions of polybutadiene, it was taken into account in the proposed kinetic model that all reactions run on active sites of two types. As a result of the calculation of the characteristic times of chain limitation (in which the chain limitation is a sum of chain termination and transfer rates) on active sites of the first and second types, it was shown that the active sites of the first type are the active sites of classical coordination polymerization (the characteristic time of chain limitation is 3.35 × 101–8.82 × 101 s) and on active sites of the second type, living chain propagation runs. This is due to the fact that the characteristic chain limitation time for active sites of the second type is 9.09 × 103 to 1.35 × 105 s, which is comparable to the time of polybutadiene synthesis until a high butadiene conversion is reached (1.00 × 104 s).

Keywords

Butadiene,Catalytic reactions,Kinetic modeling,Kinetics,Polymerization

The name of the journal

Industrial and Engineering Chemistry Research

URL

https://doi.org/10.1021/acs.iecr.2c02960

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=281122&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Madzhidov Timur Ismailovich	ru_RU
dc.date.accessioned	2022-01-01T00:00:00Z	ru_RU
dc.date.available	2022-01-01T00:00:00Z	ru_RU
dc.date.issued	2022	ru_RU
dc.identifier.citation	Tereshchenko K.A. Analysis of the Mechanism of Polybutadiene Synthesis in the Presence of the Neodymium Versatate + Diisobutylaluminum Hydride + Ethylaluminum Sesquichloride Catalytic System within the Solution of the Inverse Kinetic Problem / Tereshchenko K.A., Ulitin N.V., Bedrina P.S., Shiyan D.A., Lifanov A.D., Madzhidov T.I., Rusanova S.N., Volfson S.I. // Industrial and Engineering Chemistry Research. - 2022. - Vol. 61, Is. 43. - P. 15961-15969.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=281122&p_lang=2	ru_RU
dc.description.abstract	Industrial and Engineering Chemistry Research	ru_RU
dc.description.abstract	A kinetic model is proposed for polybutadiene synthesis in the presence of the neodymium versatate + diisobutylaluminum hydride + ethylaluminum sesquichloride (NdV + DIBAH + EASC) catalytic system. As a result of solving the inverse kinetic problem, the rate coefficients of reactions were determined. At a quantitative level, it has been shown that polybutadiene synthesis in the presence of the NdV + DIBAH + EASC catalytic system can run according to the scheme, which includes only the chain propagation, chain termination, chain transfer to butadiene, and DIBAH. This fact testifies against the need to involve the reactions of the coordinative chain transfer polymerization mechanism to describe the kinetic regularities of the process in question. Based on the bimodal form of the experimental molar mass distributions of polybutadiene, it was taken into account in the proposed kinetic model that all reactions run on active sites of two types. As a result of the calculation of the characteristic times of chain limitation (in which the chain limitation is a sum of chain termination and transfer rates) on active sites of the first and second types, it was shown that the active sites of the first type are the active sites of classical coordination polymerization (the characteristic time of chain limitation is 3.35 × 101–8.82 × 101 s) and on active sites of the second type, living chain propagation runs. This is due to the fact that the characteristic chain limitation time for active sites of the second type is 9.09 × 103 to 1.35 × 105 s, which is comparable to the time of polybutadiene synthesis until a high butadiene conversion is reached (1.00 × 104 s).	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Butadiene	ru_RU
dc.subject	Catalytic reactions	ru_RU
dc.subject	Kinetic modeling	ru_RU
dc.subject	Kinetics	ru_RU
dc.subject	Polymerization	ru_RU
dc.title	Analysis of the Mechanism of Polybutadiene Synthesis in the Presence of the Neodymium Versatate + Diisobutylaluminum Hydride + Ethylaluminum Sesquichloride Catalytic System within the Solution of the Inverse Kinetic Problem	ru_RU
dc.type	Articles in international journals and collections	ru_RU