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Deactivation and regeneration of HZSM-5 zeolite in acetone conversion: Properties of OH groups

✍ Scribed by Ludmila Kubelková; Jana Nováková


Publisher
Elsevier Science
Year
1992
Weight
635 KB
Volume
75
Category
Article
ISSN
0304-5102

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✍ Jarosław Handzlik 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 687 KB

Four different cluster models of Mo(VI) methylidene centres in the HZSM-5 framework are investigated with DFT. The positive charge on the MoO(CH 2 ) fragment is higher for the Mo centre with two Al atoms in its vicinity, compared to the models with only one Al site. The activity of two selected Mo c