Mechanism of reaction of n-butane with but-2-enes in the presence of LaCaX faujasites |
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Authors: | Bachurikhin A L Mortikov E S Gribanov V Yu Abronin I A |
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Institution: | (1) Russian Academy of Sciences, N. D. Zelinsky Institute of Organic Chemistry, 47 Leninsky prosp., 119991 Moscow, Russian Federation;(2) A. N. Kosygin Moscow State Textile Academy, 1 ul. Malaya Kaluzhskaya, 119991 Moscow, Russian Federation |
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Abstract: | The reactions of n-butane and an n-butane (80 mol.%)—isobutane (20 mol.%) mixture with but-2-enes in the presence of polycationic PdLaCaX faujasites were studied. Quantum-chemical calculation of the enthalpies of formation of alkanes C4—C8 and their cations showed that the reaction Bnn]+ Bui]+ is of crucial importance for the isomeric composition of the products of alkane alkylation. The general scheme of transformations of the hydrocarbons in the alkylation of n- and iso-paraffins was proposed based on the experimental data on the distribution of the C8 isomers in the catalyzate at different temperatures and duration of the reaction. |
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Keywords: | n-butane isobutane but-2-enes isomerization trimethylpentanes dimethylhexanes X-faujasite alkylation gasoline quantum-chemical semiempirical calculations alkylation |
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