Theoretical Models of Active Sites: General Considerations and Application to the Study of Phillips-Type Cr/Silica Catalysts for Ethylene Polymerization
作者： Knut J. Børve , Øystein Espelid
DOI: 10.1007/978-0-387-30641-4_4
关键词:
摘要: Quantum chemical cluster-model approximations are briefly reviewed as tools for studying local properties of solid surfaces. In its molecular-cluster version, this technique is applied to Phillips-type Cr/silica catalysts ethylene polymerization and used discuss spectroscopic catalytic low-valent chromium sites. The characterization part includes d-d electronic transitions well IR vibrational spectra adsorbed carbonyl species. Comparison experimental facilitates identification surface Next, cluster models investigate if how may be initiated sustained at the most topical proposed active Two sites studied here show promising activity polymerization.
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