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 …
Computational modeling toward full chain of polypropylene production: From molecular to industrial scale
Since polypropylene was synthesized in 1954, tremendous breakthroughs have been
achieved in transferring polypropylene from a discovery in the laboratory to an …
achieved in transferring polypropylene from a discovery in the laboratory to an …
Chromium catalysts for selective ethylene oligomerization to 1-hexene and 1-octene: Recent results
KA Alferov, GP Belov, Y Meng - Applied Catalysis A: General, 2017 - Elsevier
The objective of this review is the analysis and comment of recent publication results (from
July 2010 until February 2017) obtained for selective ethylene oligomerization toward 1 …
July 2010 until February 2017) obtained for selective ethylene oligomerization toward 1 …
The potential of spectroscopic methods applied to heterogeneous catalysts for olefin polymerization
E Groppo, K Seenivasan, C Barzan - Catalysis Science & Technology, 2013 - pubs.rsc.org
Heterogeneous Ziegler–Natta and Phillips-type olefin polymerization catalysts have the
monopoly of isotactic polypropylene production and a large share in the market of high …
monopoly of isotactic polypropylene production and a large share in the market of high …
Demystifying the two-sided role of inorganic halides in the structure and performance of Ziegler–Natta catalysts
MH Jandaghian, Y Maddah, S Hosseini… - … Systems Design & …, 2022 - pubs.rsc.org
In this paper, the results of adding SiCl4 (as a model inorganic halide) to the formulation of
an industrially well-known Ziegler–Natta catalyst (ZNC) have been investigated to shed light …
an industrially well-known Ziegler–Natta catalyst (ZNC) have been investigated to shed light …
Chlorination of Mg(OEt)2 with Halocarbons: A Promising Approach for Eliminating Chlorine-Containing Activators from Ziegler–Nattas' Recipes
MH Jandaghian, Y Maddah, A Sepahi… - Industrial & …, 2022 - ACS Publications
Due to the many risks of using chlorinated alkylaluminum cocatalysts (CACs), reducing or
omitting their amount in methods used for synthesizing Ziegler–Natta catalysts (ZNCs) has …
omitting their amount in methods used for synthesizing Ziegler–Natta catalysts (ZNCs) has …
Interaction of common cocatalysts in Ziegler–Natta‐catalyzed olefin polymerization
M Fallah, N Bahri‐Laleh, K Didehban… - Applied …, 2020 - Wiley Online Library
In this study, density functional theory (DFT) molecular modeling studies were performed to
explore mechanisms underlying the interactions of cocatalysts in Ziegler–Natta olefin …
explore mechanisms underlying the interactions of cocatalysts in Ziegler–Natta olefin …
Interaction of different poisons with MgCl2/TiCl4 based Ziegler-Natta catalysts
N Bahri-Laleh - Applied Surface Science, 2016 - Elsevier
Adsorption of different poison molecules on activated MgCl 2 is investigated within DFT
using a cluster model of the MgCl 2 surface with (MgCl 2) 16 formula containing four 4 …
using a cluster model of the MgCl 2 surface with (MgCl 2) 16 formula containing four 4 …
Synthesis and evaluation of a new three-metallic high-performance Ziegler–Natta catalyst for ethylene polymerization: experimental and computational studies
M Abazari, R Jamjah, N Bahri-Laleh, A Hanifpour - Polymer Bulletin, 2022 - Springer
A three-metallic high-performance heterogeneous Ziegler–Natta-type catalyst for
polymerization of ethylene was synthesized using titanium tetrachloride as the active center …
polymerization of ethylene was synthesized using titanium tetrachloride as the active center …
Highly efficient FeCl3 doped Mg(OEt)2/TiCl4-based Ziegler–Natta catalysts for ethylene polymerization
R Bazvand, N Bahri-Laleh… - Designed Monomers …, 2015 - Taylor & Francis
Seven Mg (OEt) 2/FeCl3/SiCl4/TiCl4 type procatalysts supported on Mg (OEt) 2/FeCl3
mixtures were prepared in order to unravel effect of Fe doping on the catalytic performance …
mixtures were prepared in order to unravel effect of Fe doping on the catalytic performance …