Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization
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 …
Prize for their discoveries of the catalytic polymerization of olefins with Ti-chlorides and Al …
Fundamental aspects of heterogeneous Ziegler–Natta olefin polymerization catalysis: An experimental and computational overview
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 …
process for polyolefin technology, which is responsible for the production of∼ 150 million …
Nontraditional catalyst supports in surface organometallic chemistry
The field of Surface Organometallic Chemistry (SOMC) aims to blend the positive attributes
of homogeneous and heterogeneous catalysis. Significant insight into heterogeneous …
of homogeneous and heterogeneous catalysis. Significant insight into heterogeneous …
Surface effect of the MgCl2 support in Ziegler–Natta catalyst for ethylene polymerization: A computational study
K **e, S Xu, W Hao, J Wang, A Huang, Y Zhang - Applied Surface Science, 2022 - Elsevier
Abstract Ziegler–Natta (Z–N) catalyst is a remarkable catalyst for olefin polymerization in the
petrochemical industry. However, the role of each component remains unclear because of …
petrochemical industry. However, the role of each component remains unclear because of …
Effective dispersion of MgO nanostructure on biochar support as a basic catalyst for glucose isomerization
Glucose isomerization to fructose is one of the most important reactions in the field of
biomass valorization. We demonstrate wood waste valorization with MgCl2 salt to …
biomass valorization. We demonstrate wood waste valorization with MgCl2 salt to …
Formation of highly active Ziegler–Natta catalysts clarified by a multifaceted characterization approach
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 …
of Ziegler–Natta catalysts, the process has not sufficiently been elucidated due to certain …
Electronic properties of Ti sites in Ziegler–Natta catalysts
Although Ziegler–Natta (ZN) catalysts play a major role in the polyolefin market, a true
understanding of their properties at the molecular level is still missing. In particular, there is a …
understanding of their properties at the molecular level is still missing. In particular, there is a …
Flexible ligands in heterogeneous catalysts for olefin polymerization: Insights from spectroscopy
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 …
processes in terms of worldwide diffusion, material volume, and economic turnover. At the …
Demystifying Ziegler–Natta catalysts: The origin of stereoselectivity
Industrial Ziegler–Natta catalysts for polypropylene production are complex formulations
with a reputation for being “black boxes”. In this paper, we report the results of an extensive …
with a reputation for being “black boxes”. In this paper, we report the results of an extensive …
Orbital-scale understanding of the surface effect of the MgCl2 in the Ziegler–Natta catalyst for ethylene polymerization: A computational study
K **e, A Huang, P Zhang, X Wang, Y Zhang… - Chemical Engineering …, 2024 - Elsevier
Ziegler-Natta catalyst is a widely used olefin polymerization catalyst in petrochemical
industries. However, the role of each catalyst component is not clear due to the complexity of …
industries. However, the role of each catalyst component is not clear due to the complexity of …