P-Tu-BRC-37 New Insight into the Adsorption Sites of Benzene in HY Zeolite: A Monte Carlo Study

Tuesday, June 4, 2013
Ballroom C (Galt House Hotel)
Huimin Zheng, Liang Zhao, Jinsen Gao and Chunming Xu, China University of Petroleum, China.
The study of adsorption sites of aromatic molecules in the HY zeolite can help us to better understand the reaction mechanisms.By describing the site types considering not only the effect of H atoms but also the location of benzene on the framework, new adsorption site of benzene was found .

Extended Abstracts:

See more of: Poster Session: Computational Catalysis II
See more of: Computational Catalysis
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