On the Bona Fide Sampling of Reaction Candidates in Red Moon Method by Replica-Exchange Molecular Dynamics Method: REMD-RM Method and Its Efficacy in Polymerization and Cross-Linking Reactions of Polypropylene. [PDF]
J Comput ChemSchematic representation of the REMD‐RM method, which integrates the Red Moon (RM) method and the replica‐exchange molecular dynamics (REMD) method. By enhancing molecular reconfiguration and diffusion in the reactant system, the REMD‐RM method can efficiently explore a wide phase space and effectively accelerate the search for reaction candidates ...
Matsumoto K +4 more
europepmc +2 more sources
A Study on the Effect of Catalyst Types on Microstructure of Ethylene/1-Hexene Copolymer by Thermal Fractionation [PDF]
علوم و تکنولوژی پلیمر, 2015 Olefinic copolymers of ethylene/1-hexene were synthesized by three main types of supported catalysts, including Philips, Ziegler-Natta and metallocene catalysts, and the specific microstructural features delivered by each class of the catalysts were ...
Seyed Mohammad Mehdi Mortazavi
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Study of Ziegler-Natta/(2-PhInd)2ZrCl2 hybrid catalysts performance in slurry propylene polymerization [PDF]
Polyolefins Journal, 2015 Several types of hybrid catalysts are made through mixing of 4th generation Ziegler-Natta (ZN) and (2-PhInd)2ZrCl2 metallocene catalysts using triethylaluminum (TEA) as coupling agent.
Gholam-Reza Nejabat +7 more
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Active site nature of magnesium dichloride-supported titanocene catalysts in olefin polymerization [PDF]
Polyolefins Journal, 2015 Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. In our previous study, it was reported that MgCl2-supported titanocenecatalysts can generate both Ziegler-Natta-type ...
Toshiaki Taniike +2 more
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Polymerization of sterically hindered a-olefins with single-site group 4 metal catalyst precursors [PDF]
Polyolefins Journal, 2016 A variety of group 4 metal catalytic systems (C2-symmetric {EBTHI}-, {SBI}-type zirconocene complexes (C2-1–4); C1-symmetric (C1-5–8) and Cs-symmetric (Cs-9) {Cp/Flu}-type zirconocene complexes; Cp*2ZrCl2 (Cp* 2-10)), half-metallocene complexes (CpTiCl3,
Gabriel Theurkauff +6 more
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Materials Proceedings, 2023 In this study, the state of catalysts is revealed during the growth of single-walled carbon nanotubes (SWCNTs) inside metallocene-filled SWCNTs. High-resolution transmission electron microscopy and Raman spectroscopy were used to study the kinetics of ...
Marianna V. Kharlamova
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Monomer effect on the chain transfer by diethyl zinc in olefin polymerization by metallocene catalysts [PDF]
Polyolefins Journal, 2021 The present paper systematically studies the homo- and copolymerization of ethylene or propylene using metallocene as catalyst and diethyl zinc as chain transfer agent to obtain the polyolefin waxes with narrow molecular weight distribution and with a ...
Wei Wang, Taoyi Zhang, Liping Hou
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The effect of the amido substituent on polymer molecular weight in propene homopolymerisation by titanium cyclopentadienyl-amide catalysts [PDF]
, 2000 In the homopolymerisation of propene by the cyclopentadienyl-amide titanium catalyst systems [η5,η1-C5H4(CH2)2NR]TiCl2/MAO and [η5,η1-C5H4(CH2)2NR]Ti(CH2Ph)2/B(C6F5)3 (R = tBu, iPr, Me), the catalyst with the smallest substituent (Me) on the amido moiety
Hessen, Bart, +2 more
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IN SITU SILICA SUPPORTED METALLOCENE CATALYSTS FOR ETHYLENE POLYMERIZATION [PDF]
Journal of Petroleum Science and Technology, 2014 Bis(2-R-ind)ZrCl2 (R: H or phenyl) was supported on different types of silica by in situ impregnation method and used for ethylene polymerization.
saeid ahmadjo +6 more
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Intelligent catalysts for ethylene oligomerization and polymerization [PDF]
Polyolefins Journal, 2015 EEthylene polymerization catalysts became available in an enormous variety. The challenge in this research is to find catalysts that are able to connect ethylene molecules in such a way that not only linear chains are produced but variations like ...
Helmut G. Alt
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