Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation

The kinetics of reactions of dehydrogenation of polycyclic naphthenes (cyclohexane, decalin, bicyclohexyl, ortho-, meta-, and para-isomers of perhydroterphenyl) is modeled on the basis of a formal comparison of kinetic equations of the 1st and 2nd orders based on real experimental data. It is shown that the reaction of the 1st order is predominating in the series of cyclohexane-bicyclohexyl-perhydroparatherphenyl. For all other substrates, the probability of describing the reaction in accordance with the equation of the 2nd order increases markedly, and for trans-decalin it becomes the predominant form of describing the kinetics of the reaction.

Automated summary

The kinetics of dehydrogenation reactions of polycyclic naphthenes were simulated based on real experimental data. It was found that the reaction of the 1st order predominates in the series of cyclohexane-bicyclohexyl-perhydroparatherphenyl. However, for other substrates, the probability of describing the reaction using the 2nd order equation increases significantly, with the trans-decalin reaction becoming the predominant form of describing the kinetics.