Kinetic Modeling of Complex Processes. Thermal Cracking and Catalytic Hydrocracking

Abstract

ABSTRACT. A fundamental approach is outlined for the kinetic modeling of complex processes like thermal cracking or catalytic hydrocracking of mixtures of hydrocarbons. The reaction networks are written in terms of radical mechanisms in the first case and of carbenium ion mechanisms in the second case. Since the elementary steps of the networks pertain to a relatively small number of classes, the number of rate coefficients is kept within tractable limits. The reaction networks are generated by computer through Boolean relation matrices. The number of continuity equations is limited by the elimination of radicals or carbenium ions through the pseudo-steady-state approximation.