Chemical dealcoholation of MgCl2·EtOH adduct by Al compounds and its effect on the performance of Ziegler–Natta catalysts
dc.contributor.author
dc.date.accessioned
2024-03-20T09:04:05Z
dc.date.available
2024-03-20T09:04:05Z
dc.date.issued
2024-03
dc.identifier.issn
0268-2605
dc.identifier.uri
dc.description.abstract
MgCl2·nEtOH adducts play a major role in the industrial production of polyethylenes. Their chemical dealcoholation, usually accomplished during the catalyst synthesis step, has had a pronounced impact on the microstructure of the final Ziegler–Natta pre-catalysts and the properties of the resulting polymers. Due to the industrial and academic importance of this issue, different aluminum-based compounds including triethylaluminum (TEAL), triisobutylaluminum (TIBA), and ethylaluminumdichloride (EADC) were used in this research in the chemical dealcoholation of a MgCl2·1.5EtOH adduct, to provide the target catalysts. According to the analytical results, the catalysts synthesized using aluminum compounds (especially TEAL and EADC) generally had a more fractured structure, a smaller particle size and a vast surface area. Aluminum precursors bind to the catalyst structure together with TiCl4, which is manifested from their higher adsorption energies obtained by DFT calculations, and the presence of Al atom in the elemental analysis. Varying the chemical structure and physical properties of the catalysts, established using Al compounds, caused significant variation in the ethylene polymerization kinetic curves, their related rate constants, and the flow characteristic of the final polymers. The overall results outstandingly affirm that by appropriate choice of the Lewis acid compound, during the chemical dealcoholation of the adduct, various Ziegler–Natta catalysts can be achieved for different polyethylene grades
dc.description.sponsorship
Iran National Science Foundation. Grant Number: 4006310; Iran Polymer and Petrochemical Institute; Ministerio de Ciencia e Innovación. Grant Number: PID2021-127423NB-I00; Generalitat de Catalunya. Grant Number: 2021SGR623 and Barcelona Supercomputing Center (BSC)
Open Access funding provided thanks to the CRUE-CSIC agreement with Wiley
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Wiley
dc.relation
PID2021-127423NB-I00
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Reproducció digital del document publicat a: https://doi.org/10.1002/aoc.7300
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Applied Organometallic Chemistry, 2024, vol. 38, núm. 3, p. e7300
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Articles publicats (D-Q)
dc.rights
Attribution 4.0 International
dc.rights.uri
dc.title
Chemical dealcoholation of MgCl2·EtOH adduct by Al compounds and its effect on the performance of Ziegler–Natta catalysts
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.relation.projectID
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-127423NB-I00/ES/CATALISIS PREDICTIVA PARA CAMBIAR EL ODEN SECUENCIAL ENTRE EXPERIMENTOS I CALCULOS/
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
1099-0739