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National Repository of Grey Literature 1 records found  Search took 0.00 seconds. 
The role of boron oxide in oxidative dehydrogenation of hydrocarbons
 Stoklasa, Jan ; Rubeš, Miroslav (advisor) ; Grajciar, Lukáš (referee)
Hexagonal boron nitride appears to be a suitable catalyst for the oxidative dehydrogenation of hydrocarbons. With its high selectivity towards alkenes and low production of carbon monoxide and dioxide, this catalyst emerges as an ideal candidate for this process. Literature references indicates that a radical mechanism seems probable, as evidenced by the dependence on the reactor shape and catalytic volume. The exact mechanism is still under investigation, and the focus of this study is to describe the initial steps of the reaction and investigate poorly defined boron oxide (BOx) species. It has been found that during the reaction of the catalyst surface model with the O2H radical, two types of complexes are observed - dispersive and covalently bound. By monitoring the interaction energies, it was discovered that both types are energetically very close to each other, with a low barrier for transition between them. When the surface interacts with the propyl radical, only dispersive complexes were observed.
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