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 …

Efficient hydro-finishing of polyalfaolefin based lubricants under mild reaction condition using Pd on ligands decorated halloysite

M Tabrizi, S Sadjadi, G Pareras… - Journal of Colloid and …, 2021 - Elsevier
To achieve efficient hydrofinishing of polyalfaolefin based lubricants under mild reaction
condition, a novel catalyst is designed and fabricated through supporting Pd nanoparticles …

Effect of the pore architecture of Ziegler-Natta catalyst on its behavior in propylene/1-hexene copolymerization

A Shams, M Mehdizadeh, HR Teimoury… - Journal of Industrial and …, 2022 - Elsevier
The role of the pore architecture of the Ziegler-Natta (ZN) catalysts in the propylene
polymerizations is unveiled, towards the catalyst activity, H 2–and comonomer-response …

Pd on nitrogen rich polymer–halloysite nanocomposite as an environmentally benign and sustainable catalyst for hydrogenation of polyalfaolefin based lubricants

S Karimi, N Bahri-Laleh, G Pareras, S Sadjadi… - Journal of Industrial and …, 2021 - Elsevier
Considering the importance of hydrofinishing of poly alpha-olefin oils from the industrial
point of view, in this research both computational and experimental studies have been …

Pd immobilized on dendrimer decorated halloysite clay: Computational and experimental study on the effect of dendrimer generation, Pd valance and incorporation of …

N Bahri-Laleh, S Sadjadi, A Poater - Journal of Colloid and Interface …, 2018 - Elsevier
Dendrimer (PAMAM) decorated halloysite nanoclay (Hal) was prepared and applied for
immobilization of Pd catalytic species to develop an efficient catalyst for copper and ligand …

Exploring cocatalyst type effect on the Ziegler–Natta catalyzed ethylene polymerizations: Experimental and DFT studies

M Masoori, M Nekoomanesh, S Posada-Pérez… - Journal of Polymer …, 2022 - Springer
Due to the important role of cocatalyst in the polymerization process employing industrially
favored Ziegler–Natta catalysts, its effect on kinetic behavior, catalyst activity, and polymer …

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 …

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 …

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 …

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 …