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Boreskov Institute of Catalysis of the Siberian Branch of Russian ...

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OP-III-22MATHEMATICAL MODELLING OF THE ETHYLENE GLYCOLOXIDATION PROCESSM.A. Salaev, A.A. Krejker, O.V. Magaev, A.S. Knyazev,E.S. Borisova*, V.M. Khanaev*, O.V. Vodyankina, L.N. KurinaTomsk State University, 36, pr. Lenina, 634050 Tomsk, Russia, Fax: (3822) 52-95-85* <strong>Boreskov</strong> <strong>Institute</strong> <strong>of</strong> <strong>Catalysis</strong>, 5, pr. Akademika Lavrentieva, 630090 Novosibirsk, Russiae-mail: vodyankina_o@mail.ruHeterogeneous catalytic oxidation <strong>of</strong> alcohols is one <strong>of</strong> <strong>the</strong> most important methods <strong>of</strong>syn<strong>the</strong>sis <strong>of</strong> such valuable carbonyl compounds as formaldehyde, acetaldehyde, acetone,propionic aldehyde, phtalic aldehyde, etc. Glyoxal, one <strong>of</strong> <strong>the</strong> most important products <strong>of</strong>modern industry, can be syn<strong>the</strong>sized by partial oxidation <strong>of</strong> ethylene glycol. This aldehyde isused in wood-working, tanning, pharmaceutical, paper and many o<strong>the</strong>r industries.Industrial production <strong>of</strong> glyoxal is generally carried out by vapor-phase oxidation <strong>of</strong>ethylene glycol over copper, silver and complex Cu-Ag catalysts [1]. New catalytic systemsfor this process based on silver nanoparticles were developed at <strong>the</strong> Laboratory <strong>of</strong> catalyticresearches <strong>of</strong> Tomsk state university. These catalysts show high activity and <strong>the</strong>rmal stability,and are perspective for using in industry.The aim <strong>of</strong> <strong>the</strong> present work is to develop a ma<strong>the</strong>matical model <strong>of</strong> <strong>the</strong> ethylene glycoloxidation process, allowing <strong>the</strong> optimization <strong>of</strong> <strong>the</strong> process conditions, and prediction <strong>the</strong>behavior <strong>of</strong> <strong>the</strong> reaction system.Experimental data <strong>of</strong> <strong>the</strong> process realization, taken for model development, were obtainedaccording to [Ошибка! Закладка не определена.]. The investigations were carried out incontinued-flow fixed bed reactor (reactor length was 100 mm), <strong>the</strong> temperature span was 500-650 °С. In each experiment <strong>the</strong> temperature pr<strong>of</strong>ile along <strong>the</strong> reactor under steady operatingconditions was measured and recorded. Liquid and gas products <strong>of</strong> <strong>the</strong> reaction were analyzedchromatographically. Ma<strong>the</strong>matical processing <strong>of</strong> <strong>the</strong> experimental results was performedwith using <strong>of</strong> HYSYS program.The following statements were used during <strong>the</strong> development <strong>of</strong> <strong>the</strong> ma<strong>the</strong>matical model:(1) <strong>the</strong> ethylene glycol oxidation process is realized in <strong>the</strong> external diffusion mode; (2) bothoxidation reactions <strong>of</strong> glyoxal into CO and water, and CO into СО 2 , as well as water-gasshift-reactiontake place on <strong>the</strong> catalyst surface in <strong>the</strong> kinetic mode.To calculate <strong>the</strong> heat balance <strong>the</strong> time-dependent equation <strong>of</strong> heat transmission over <strong>the</strong>solid phase <strong>of</strong> <strong>the</strong> catalyst bed was used. General heat exchange coefficient was calculatedaccording to <strong>the</strong> quasi-homogeneous model <strong>of</strong> tubular reactor [2-3]. The maximal temperatureat <strong>the</strong> centre <strong>of</strong> <strong>the</strong> catalytic bed was estimated by <strong>the</strong> determination <strong>of</strong> <strong>the</strong> heat exchangecoefficient as a function <strong>of</strong> both Bio parameter and coefficient <strong>of</strong> heat exchange with <strong>the</strong>133

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