Quantitative Prediction of Aniline and Pyridine Hydrodenitrogenation Reactions by Use of Langmuir-Hinshelwood Equations.

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  • ラングミュアー-ヒンシェルウッド速度式によるアニリンおよびピリジンの水素化脱窒素反応の定量的予測

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Hydrodenitrogenation (HDN) reactions of different types of nitrogen compounds in the same phase proceed by a competitive mechanism. The rate of HDN of aniline was higher than that of HDN of pyridine when the reactions were carried out separately in the individual reactions. On the contrary, the rate of HDN of aniline was lower than that of HDN of pyridine in the simultaneous HDN reaction of a mixture containing aniline and pyridine. Langmuir-Hinshelwood equations were employed to predict both the individual and the simultaneous HDN reactions, quantitatively. Not only rate constants, but also adsorption constants onto catalyst surface, are included in the Langmuir equations. The appropriate values of the rate constant and the adsorption constant were kinetically estimated by computational analysis of experimental data on kinetic measurement. The Langmuir equations, including the estimated rate constants and the adsorption equilibrium constants, could predict both the individual and the simultaneous HDN reactions of aniline and pyridine.

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