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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 …
Efficient hydro-finishing of polyalfaolefin based lubricants under mild reaction condition using Pd on ligands decorated halloysite
To achieve efficient hydrofinishing of polyalfaolefin based lubricants under mild reaction
condition, a novel catalyst is designed and fabricated through supporting Pd nanoparticles …
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
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 …
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
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 …
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 …
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 …
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
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 …
favored Ziegler–Natta catalysts, its effect on kinetic behavior, catalyst activity, and polymer …
Interaction of common cocatalysts in Ziegler–Natta‐catalyzed olefin polymerization
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
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 …
Demystifying the two-sided role of inorganic halides in the structure and performance of Ziegler–Natta catalysts
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 …