Simulation of the Kinetics of Heterogeneous Oxidation of n-Heptane by Oxygen
A.F. ISAZADE, U.A. MAMMADOVA, M.M. ASADOV, N.A. ZEYNALOV, D.B. TAGIEV
Nagiev Institute of Catalysis and Inorganic Chemistry, National Academy of Sciences of Azerbaijan, Baku, Azerbaijan aygunisazade.chemist@gmail.com
Ключевые слова: polymer-metal catalysts, catalytic oxidation, n-heptane, n-heptane oxidation kinetics
Страницы: 45-51
Аннотация
The catalytic reaction of n-heptane (n-C7H16) oxidation with molecular oxygen has been studied. Various compositions of the polymer catalyst Mn-P4VP/MBAA (where Mn-P4VP is manganese-immobilised poly-4-vinylpyridine and MBAA is N,N′-methylene-bis-acrylamide) containing 2-5 wt% Mn were prepared and tested. The concentration of manganese in the catalyst based on immobilized metal-polymer complexes is within the range of 2-5 wt% Mn. The oxidation reaction was carried out at a ratio of components n-C7H16/O2/polymer catalyst with Mn = 1 : 3.38 : 0.003 and time 6 h within the temperature range 303-383 K. The data on the yield of the major products of n-heptane oxidation are presented, taking into account the initial components, catalyst composition, temperature and the time of oxygen contact with the reacting components. It has been established that during the oxidation of n-C7H16 (303-383 K), the yield of alcohols is higher than the yield of other oxidation products. The oxidative conversion of n-heptane increases from 45 to 75 mol% with an increase in temperature in the range of 303-383 K. For the multistage oxidation of n-heptane with oxygen, a kinetic model was selected and considered. On the basis of this model, the reaction rate constants were calculated in the range of 303-383 K considering the degree of heptane conversion. The activation energy of n-heptane oxidation was estimated, taking into account the method of choosing the most plausible parameter and experimental data on n-heptane convection.
DOI: 10.15372/KhUR2024529 EDN: HGIWNM
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