OP-II-3

PP-I-47MATHEMATICAL MODELLING OF PROCESS OF METHANOLSYNTHESIS WITH THE SURFACE MECHANISM OF REACTIONSTAKEN INTO ACCOUNTPopok E.V., Kravtsov A.V., Youriev E.M.Tomsk Polytechnic University, Tomsk, Russia. E-mail: evgen-san@inbox.ruCost of the basic industrial catalysts of methanol synthesis is high, therefore testingand a choice a catalytic system is the determinative factor for effective operation ofprocess, especially for low-temperature synthesis on Zn-Cu-Al-contact system [1].The old catalysts of methanol synthesis containing Zn and Cr. The condition of asurface of the catalyst with a low degree of restoration provided stability therecatalytic systems and their high selectivity at insignificant speeds of course of thekey reaction. When converting the process to using highly-active Zn-Cu-Al-catalyticsystems here is a decrease a selectivity on reaction of methanol synthesis.Consequently there is a necessity of its preservation and creation of conditions oninhibition of collateral reaction of synthesis of hydrocarbons on Fisher-Tropshreaction to the metal centers of the catalyst. This centers formed in conditions ofthermal disintegration of Zn-Cu-clusters. The description of this process with using amethod of mathematical modelling allows considering the mechanism of formation ofthe active center on a surface of the Zn-Cu-Al-catalyst, to define conditions offormation nanodispersed surfaces, modes of activation of cluster [2]. This methodallows also resolve a problem of testing of catalysts of various marks of catalysts ofmethanol synthesis.There are some conceptions about the mechanism of methanol synthesis on Zn-Cu-Al-catalysts. Authors of works [3, 4] as the most exact and proved was chosenthe mechanism with formation positive charged chemisorbed complex on a surfaceweakly reduced catalyst and dissolution of hydrogen in near-surface layer ofcatalytic system. During consecutive stages (1-4) there is a saturation of chemicalbond Me–CO by active hydrogen and detachment of an end-product – methanol.304