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ダブリン・コア・フィールド言語
contributor.authorCheng, Ruihuaen_US
contributor.authorXu, Chenen_US
contributor.authorLiu, Zhenen_US
contributor.authorDong, Qien_US
contributor.authorHe, Xuelianen_US
contributor.authorFang, Yuweien_US
contributor.authorTerano, Minoruen_US
contributor.authorHu, Yataoen_US
contributor.authorPullukat, Thomas J.en_US
contributor.authorLiu, Bopingen_US
date.accessioned2012-09-10T07:31:29Z-
date.available2012-09-10T07:31:29Z-
date.issued2010-06-16en_US
identifier.urihttp://hdl.handle.net/10119/10719-
description.abstractTi-modified Phillips catalyst is a most important industrial catalyst widely used in ethylene polymerization, but the mechanism still remains mysterious. In this work, Ti-modified Phillips catalysts were characterized by high-resolution X-ray photoelectron spectroscopy (XPS) and 1^H magic-angle-spin solid-state nuclear magnetic resonance (1^H MAS solid-state NMR) combined with density functional investigations on the effects of Ti-modification on promotion of polymerization activity, and regulation of microstructures of the polymer chains. XPS data revealed Ti-modification caused increase of electron-deficiency and photo-stability of the surface chromate species. 1^H NMR provided the first direct evidence of surface residual Ti–OH groups. Modeling results rationalized well the effects of Ti-modification on promotion of polymerization activity, extension of molecular weight distribution (MWD) to lower MW region, improvement of the distribution of inserted co-monomer and enhancement of 2,1-insertion in regioselectivity of Phillips catalysts. It was the first time the Ti-modification on Phillips catalysts were theoretically elucidated.en_US
format.extent471786 bytes-
format.mimetypeapplication/pdf-
language.isoenen_US
publisherElsevieren_US
rightsNOTICE: This is the author's version of a work accepted for publication by Elsevier. Ruihua Cheng, Chen Xu, Zhen Liu, Qi Dong, Xuelian He, Yuwei Fang, Minoru Terano, Yatao Hu, Thomas J. Pullukat, Boping Liu, Journal of Catalysis, 273(2), 2010, 103-115, http://dx.doi.org/10.1016/j.jcat.2010.05.002en_US
subjectPhillips CrO_x/SiO_2 catalysten_US
subjectTi-modificationen_US
subjectX-ray photoelectron spectroscopyen_US
subject1^H magic-angle-spin solid state nuclear magnetic resonanceen_US
subjectDensity functional theoryen_US
titleHigh-resolution spectroscopy (XPS, 1^H MAS solid-state NMR) and DFT investigations into Ti-modified Phillips CrO_x/SiO_2 catalystsen_US
type.niiJournal Articleen_US
identifier.niiissn0021-9517en_US
identifier.jtitleJournal of Catalysisen_US
identifier.volume273en_US
identifier.issue2en_US
identifier.spage103en_US
identifier.epage115en_US
relation.doi10.1016/j.jcat.2010.05.002en_US
rights.textversionauthoren_US
language.iso639-2engen_US
出現コレクション:c10-1. 雑誌掲載論文 (Journal Articles)

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