“Universal” yield models for the steam pyrolysis of hydrocarbons to olefins

Hydrocarbon pyrolysis with steam is the miracle process of the 20th century. Almost all petrochemical base chemicals are produced by pyrolysis using a range of feedstocks from ethane to gas oils. The reactions are so stiff that radical reactions are in equilibrium while feedstocks fragment into primary products at relatively fast rates. These react at slower rate into precursors (e.g. pentene-1) of desired products (e.g. butadiene, iso-butene). Unfortunately desired products (ethylene, propylene, etc.) also undergo degrading reactions. High temperature, short contact conditions favor these products due to their high energies of activation. rsal” models accurately predict yields for the wide variety of hydrocarbon feeds in the numerous reactors under the range of severities. Indeed, itʹs a miracle that a single computer model of pyrolysis could meet the “universal” requirements. Indeed three approaches: free radical mechanisms; molecular kinetics; and methane severity each have met the requirements. The rigor and sophistication required is the basis of this work and is considered in detail in the body of this report.