from first principles PP-I-1

PP-III-77Mechanisms of Heterogeneous-Catalytic Reactions of EthyleneMonooxidation by Hydrogen PeroxideNasirova U.V. 1 , Nagieva I.T. 2 , Gasanova L.M. 1 , Nagiev T.M. 1,21 Nagiev Institute of Chemical Problems, National Academy of Sciences of Azerbaijan,29 H.Javid Av., Baku AZ 1143, Azerbaijan2 Baku State University, Azerbaijantnagiev@azeurotel.comThe biomimetic catalyst per-FTPhPFe 3+ OH/Al 2 O 3 indicated extremely high resistance to theeffects of oxidant and their intermediates and relatively high temperature [1]. Owing to thementioned properties of the biomimetic catalyst, the gas-phase monooxidation of ethylene byhydrogen peroxide on this catalyst was studied under comparatively mild conditions. Theproducts of ethylene monooxidation reaction (С 2 Н 5 ОН and СН 3 СНО) are the end ones,therefore selectivity of reaction taking into account these products in the conditions of thehighest yield of ethyl alcohol (15.4 mas.%) and the least yield of acetaldehyde (12 mas.%)made up practically 100% and vice versa, in case of obtaining the highest yield ofacetaldehyde (34.6 mas.%) and the least one of ethyl alcohol (4.6 mas.%) selectivity made up87% owing to formation of by-product СО 2 . Biomimetic per-FTPhPFe 3+ OH/Al 2 O 3 hasdemonstrated unique steadiness to both oxidant effect and high temperatures while retainingits activity [2].From the experimental data follows that two synchronous reactions, catalase (primary) andmonooxygenase (secondary) reactions, interact with each other. As a result, chemicalinterference is observed in the system, and the primary reaction strengthens the secondaryone, which, in turn, decelerates the primary reaction. According to the generally acceptedmechanism [1], these coherent-synchronized reactions can be written as:H 2 O 2ImtOH2СН 3 СНОС 2 Н 4H 2 OImtOOH1H 2 O + O 2H 2 O 2where ImtOH is the per-FTPhPFe 3 +OH/Al 2 O 3 biomimetic and ImtOOH is an intermediatecompound, 1 is the catalase (primary) and 2 is monooxygenase (secondary) reaction.233