Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model (SPYRO)

This paper discusses the importance and feasibility of the mechanistic simulation of the numerous reaction occuring in the thermal cracking of hydrocarbons into olefins and aromatics. Particular attention is given to the specific modelling of the complex kinetics and the mathematical solution of the 'stiff' material balance equations involved. The 'pseudo steady state' of radical species concentration is discussed, and a typical comparison is given for ethane/propane pyrolysis, using a reduced, but fundamental, kinetic scheme vs a pseudo-kinetic model. The applicability of the comprehensive pyrolysis model, called SPYRO, for simulation of industrial pyrolysis furnace performance, including reliable prediction of yields, is illustrated. © 1979