Kompleksy metali przejściowych z zasadami Lewisa jako prekursory katalizatorów polimeryzacji olefin. Cz. II. Postęp w komputerowym projektowaniu katalizatorów

Z. Flisak; K. Szczegot

Published : 2022-09-19

Vol. 46 No. 6 (2001)

Complexes of transition metals with Lewis bases as precursors of olefin polymerization catalysts. Part II. Advance in computer-assisted design of catalysts

Z. Flisak K. Szczegot

Abstract

A review with 14 references covering CAD of olefin polymerization catalysts in terms of the catalytic effects affecting the process course. Achievements are described in the theoretical prediction of catalytic properties of transition metal complexes, which stems from the understanding of polymerization mechanisms, catalytic site nature, catalyst activity, and tasks performed by individual catalyst constituents. Topics are delineated which are expected to be studied in future theoretical works covering the area of coordination polymerization (roles of cocatalyst(s), Lewis base(s), experimental conditions, etc.).

Keywords

katalizatory Zieglera-Natty ; polimeryzacja etylenu i propylenu ; komputerowe modelowanie molekularne ; teoria funkcjonału gęstości owego ; metaloceny Ziegler-Natta catalysts ; polymerization of ethylene and propylene ; molecular modeling ; density functional theory ; metallocenes

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Flisak, Z., & Szczegot, K. (2022). Complexes of transition metals with Lewis bases as precursors of olefin polymerization catalysts. Part II. Advance in computer-assisted design of catalysts. Polimery, 46(6), 390–392. Retrieved from https://polimery.ichp.vot.pl/index.php/p/article/view/2086

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