Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
А. Н. Каленчук, Л. М. Кустов
Abstract
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.
Topics & Concepts
DecalinDehydrogenationCyclohexaneKineticsChemistryKinetic energyCondensationComputational chemistryThermodynamicsChemical kineticsPhysical chemistryOrganic chemistryPhysicsCatalysisQuantum mechanicsCatalysis and Hydrodesulfurization StudiesCatalysts for Methane ReformingCarbon dioxide utilization in catalysis