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Please use this identifier to cite or link to this item: http://hdl.handle.net/10119/10716

Title: Origin of Broad Molecular Weight Distribution of Polyethylene Produced by Phillips-type Silica-Supported Chromium Catalyst
Authors: Tonosaki, Kiwamu
Taniike, Toshiaki
Terano, Minoru
Keywords: Phillips catalyst
density functional theory
molecular weight distribution
polyethylene (PE)
Issue Date: 2011-03-15
Publisher: Elsevier
Magazine name: Journal of Molecular Catalysis A: Chemical
Volume: 340
Number: 1-2
Start page: 33
End page: 38
DOI: 10.1016/j.molcata.2011.03.005
Abstract: The origin of the broad molecular weight distribution of polyethylene produced by Phillips-type silica-supported chromium (Cr/SiO_2) catalysts was studied by density functional calculations using active site models with various coordination environments. Difference of the coordination environment of chromium showed remarkable variations for both of the insertion and the chain transfer energies, resulting in a broad range of molecular weight from 10^2 to 10^<10> g/mol at 350 K. The results clarified that the special catalytic property of Cr/SiO_2 for broad molecular weight distribution is attributed to the heterogeneity of the coordination environment of the chromium species.
Rights: NOTICE: This is the author's version of a work accepted for publication by Elsevier. Kiwamu Tonosaki, Toshiaki Taniike, Minoru Terano, Journal of Molecular Catalysis A: Chemical, 340(1-2), 2011, 33-38, http://dx.doi.org/10.1016/j.molcata.2011.03.005
URI: http://hdl.handle.net/10119/10716
Material Type: author
Appears in Collections:c10-1. 雑誌掲載論文 (Journal Articles)

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