Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization

N Bahri-Laleh, A Hanifpour, SA Mirmohammadi… - Progress in Polymer …, 2018 - Elsevier
Abstract Since 1963, when Karl Ziegler and Giulio Natta were jointly awarded the Nobel
Prize for their discoveries of the catalytic polymerization of olefins with Ti-chlorides and Al …

Flexible ligands in heterogeneous catalysts for olefin polymerization: Insights from spectroscopy

A Piovano, E Groppo - Coordination Chemistry Reviews, 2022 - Elsevier
Heterogeneous catalysis for olefin polymerization is one of the most relevant industrial
processes in terms of worldwide diffusion, material volume, and economic turnover. At the …

Formation of highly active Ziegler–Natta catalysts clarified by a multifaceted characterization approach

A Piovano, T Wada, A Amodio, G Takasao, T Ikeda… - ACS …, 2021 - ACS Publications
Although the formation of nanosized and defective δ-MgCl2 is essential for the performance
of Ziegler–Natta catalysts, the process has not sufficiently been elucidated due to certain …

Fundamental aspects of heterogeneous Ziegler–Natta olefin polymerization catalysis: An experimental and computational overview

J Kumawat, VK Gupta - Polymer Chemistry, 2020 - pubs.rsc.org
MgCl2 supported Ziegler–Natta (Z–N) catalysts have emerged as the most exciting chemical
process for polyolefin technology, which is responsible for the production of∼ 150 million …

A brief review on selected applications of hybrid materials based on functionalized cage-like silsesquioxanes

Ł John, J Ejfler - Polymers, 2023 - mdpi.com
Rapid developments in materials engineering are accompanied by the equally rapid
development of new technologies, which are now increasingly used in various branches of …

Selection of low-dimensional 3-D geometric descriptors for accurate enantioselectivity prediction

G Antinucci, B Dereli, A Vittoria, PHM Budzelaar… - ACS …, 2022 - ACS Publications
This study focuses on building enantioselectivity models using only a few intuitively
meaningful descriptors based on the “buried volume” idea. Appropriate dissection of the …

ansa-Zirconocene Catalysts for Isotactic-Selective Propene Polymerization at High Temperature: A Long Story Finds a Happy Ending

PS Kulyabin, GP Goryunov, MI Sharikov… - Journal of the …, 2021 - ACS Publications
Absolute rigidity is rare in the “soft” world of organometallics. Here we introduce two
cyclopenta [a] triptycyl ansa-zirconocene catalysts for isotactic-selective propene …

Imagine polypropylene

G Antinucci, R Cipullo, V Busico - Nature Catalysis, 2023 - nature.com
Linear polyethylene and isotactic polypropylene, the two largest-volume polymers on the
market, were invented in the 1950s thanks to diverse mixes of serendipity, intuition and …

Methylaluminoxane's molecular cousin: A well-defined and “complete” al-activator for molecular olefin polymerization catalysts

F Zaccaria, C Zuccaccia, R Cipullo… - ACS …, 2021 - ACS Publications
Catalytic activity in olefin polymerization depends not only on the catalyst but also, crucially,
on activator/alkylator/scavenger “packages.” Along with binary mixtures containing Lewis or …

Molecular kinetic study of “chain shuttling” olefin copolymerization

A Vittoria, V Busico, FD Cannavacciuolo… - ACS Catalysis, 2018 - ACS Publications
Statistical olefin block copolymers (OBCs) with “hard” and “soft” linear low-density
polyethylene (LLDPE) blocks can be synthesized by tandem catalysis under “coordinative …