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dc.contributor.authorCredendino, Raffaele
dc.contributor.authorLiguori, Dario
dc.contributor.authorFan, Zhiqiang
dc.contributor.authorMorini, Giampiero
dc.contributor.authorCavallo, Luigi
dc.date.accessioned2015-08-16T12:56:15Z
dc.date.available2015-08-16T12:56:15Z
dc.date.issued2015-08-12
dc.identifier.citationA Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis 2015:150812152401002 ACS Catalysis
dc.identifier.issn2155-5435
dc.identifier.issn2155-5435
dc.identifier.doi10.1021/acscatal.5b01076
dc.identifier.urihttp://hdl.handle.net/10754/567036
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.
dc.language.isoen
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acscatal.5b01076
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.
dc.titleA Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis
dc.typeArticle
dc.contributor.departmentBiological and Environmental Sciences and Engineering (BESE) Division
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.identifier.journalACS Catalysis
dc.eprint.versionPost-print
dc.contributor.institutionLyondellBasell Polyolefins, G. Natta Research Center, Piazzale G. Donegani 12, 44100, Ferrara, Italy
dc.contributor.institutionDepartment of Polymer Science and Engineering, MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Zhejiang University, Hangzhou 310027, China
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personCredendino, Raffaele
kaust.personCavallo, Luigi
refterms.dateFOA2016-08-12T00:00:00Z


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