Collect. Czech. Chem. Commun. 1992, 57, 1852-1866

Simulation of Primary Selectivity of Hydrocarbon Pyrolysis

Zdeněk Bělohlav and Josef Horák

Department of Organic Technology, Prague Institute of Chemical Technology, 166 28 Prague 6


The mathematical model is described for the determination of primary selectivity of hydrocarbon pyrolysis, i.e., the determination of proportion of single components in the first generation of products of pyrolysis. The model stems from the radical reaction mechanism. It is assumed that the main influence on the product composition has the chain propagation involving the hydrogen atom transfer, isomerization and breaking the hydrocarbon radical. To determine the rate constants, the kinetic data published in the literature and the data on bond enthalpies in hydrocarbon molecules were employed. The simulation results were compared with the experimental data taken from the literature and with the results of measurements obtained in pyrolysis of two types of naphthas in a pilot-plant reactor.