Mathematical and Kinetic Study of Horiuti-Polanyi Reaction Mechanism for the Methylcyclohexane Dehydrogenation Over Various Pt/Al2O3 Catalysts

Abstract

The Horiuti-Polanyi (HP) mechanism has been studied for the methylcyclohexane dehydrogenation reaction over a Pt/AlO catalyst. Three HP mechanistic schemes such as competitive, non-competitive, and combined-competitive-non-competitive were used in the kinetic modeling of the experimental data. The loss of first hydrogen atom was regarded as the rate-determining step and the mathematical expressions were developed and fitted against the data. A FORTRAN routine was employed where 4th order Runge-Kutta method was used to solve the related differential equation and Marquardt algorithm was used for the parametric estimation. A kinetically and statistically best-fit HP kinetic equation was obtained with 87.96 kJ/mol of activation energy. The best-fit kinetic model was tested with five additional Pt-containing AlO catalysts and yet again found in good agreement with the experimental data.