A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis

Handle URI:
http://hdl.handle.net/10754/567036
Title:
A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis
Authors:
Credendino, Raffaele; Liguori, Dario; Fan, Zhiqiang; Morini, Giampiero; Cavallo, Luigi ( 0000-0002-1398-338X )
Abstract:
We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.
KAUST Department:
Biological and Environmental Sciences and Engineering (BESE) Division; KAUST Catalysis Center (KCC)
Citation:
A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis 2015:150812152401002 ACS Catalysis
Publisher:
American Chemical Society (ACS)
Journal:
ACS Catalysis
Issue Date:
12-Aug-2015
DOI:
10.1021/acscatal.5b01076
Type:
Article
ISSN:
2155-5435; 2155-5435
Additional Links:
http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01076
Appears in Collections:
Articles; KAUST Catalysis Center (KCC); Biological and Environmental Sciences and Engineering (BESE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorCredendino, Raffaeleen
dc.contributor.authorLiguori, Darioen
dc.contributor.authorFan, Zhiqiangen
dc.contributor.authorMorini, Giampieroen
dc.contributor.authorCavallo, Luigien
dc.date.accessioned2015-08-16T12:56:15Zen
dc.date.available2015-08-16T12:56:15Zen
dc.date.issued2015-08-12en
dc.identifier.citationA Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis 2015:150812152401002 ACS Catalysisen
dc.identifier.issn2155-5435en
dc.identifier.issn2155-5435en
dc.identifier.doi10.1021/acscatal.5b01076en
dc.identifier.urihttp://hdl.handle.net/10754/567036en
dc.description.abstractWe propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.en
dc.language.isoenen
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acscatal.5b01076en
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Catalysis, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01076.en
dc.titleA Unified Model Explaining Heterogeneous Ziegler-Natta Catalysisen
dc.typeArticleen
dc.contributor.departmentBiological and Environmental Sciences and Engineering (BESE) Divisionen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.identifier.journalACS Catalysisen
dc.eprint.versionPost-printen
dc.contributor.institutionLyondellBasell Polyolefins, G. Natta Research Center, Piazzale G. Donegani 12, 44100, Ferrara, Italyen
dc.contributor.institutionDepartment of Polymer Science and Engineering, MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Zhejiang University, Hangzhou 310027, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorCredendino, Raffaeleen
kaust.authorCavallo, Luigien
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