from first principles PP-I-1

PP-III-76Mechanism of Catalytic Elimination of 1.2-Dichloropropane into Alleneand Methyl AcetyleneNajafov J.Y., Guseinova E.A., Adzhamov K.Yu.Azerbaijan State Oil Academy, Baku, Azerbaijanelvira_huseynova@mail.ruThe purpose of this research was the study of kinetic regularities of reactiondehydrochlorination of 1.2-dichloropropane into allene and methyl acetylene in the presenceof catalysts CaX, γ-Al 2 O 3 and expanded clay, as well as discussions of possible routes for theformation of the reaction products [1.2].It is found that the speed of the dehydrochlorination reaction of 1.2-dichloropropane in theseconditions is satisfactorily described by the first order to 1.2-dichloropropane. Calculatedaccording to experimental data values of apparent activation energy of dehydrochlorinationreaction of 1.2-dichloropropane in the presence of catalysts γ-Al 2 O 3 , CaX and expanded claywere 93.44 kJ/mol, 77.18 kJ/mol and 54.9 kJ/mol. Quality comparison of selectivity offormation of hydrocarbons C 3 H 4 with conversion degree of 1.2-dichloropropane has shownthat process indicators have the highest value in the presence of expanded clay.According to the author [3] classification for the obtained values (k 0 = 1.27 • 10 11 s -1 ), theinvestigated reaction is refers to the monomolecular in the adsorption layer.The using of BOTH allowed to us to identify the number of active centers as ratio ofcalculated k 0 to the pilot. The result of calculations on the number of active points on thesurface (sm -2 ) show that tested catalysts settle in the following sequence:γ-Al 2 O 3 < CaX < Expanded clay0.2·10 3 < 0.6·10 4 < 0.4·10 6 .In the case of γ-Al 2 O 3 preferential formation of allene with the subsequent isomerization tomethyl acetylene is consistent with the participation of the Lewis acid and basic centers, whileCaX and expanded clay Lewis and Bronsted acid centers fit an agreed mechanism for jointparticipation in the formation process of allene and methyl acetylene.References:[1] Najafov J.Y., Journal of Applied Chemistry. 2011. V. 84. Is. 9, P.1482-1490. (in Russian)[2] Najafov J.Y., Guseinova E.A., Kojarov A.I. & each. Processes Of Petrochemistry And OilRefining, 2012, №2, P.21-29. (in Russian)[3] Krilov O.V. Heterogeneous catalysis. M.: Akademkniga, 2004. – 679 p. (in Russian)232