Modeling of coal liquefaction kinetics based on reactions in continuous mixtures. Part I: Theory

Abstract

AbstractBased on the concept of reactions in a continuum, a mathematical model has been developed to simulate coal liquefaction kinetics. In an excess hydrogen donor environment, the rate‐limiting reactions are considered to be irreversible cracking reactions involving cleavage of carbon and oxygen linkages. Concurrent evolution of a wide spectrum of products, with an initial rapid formation of species of high carbon and oxygen contents, followed by progressively slower reactions leading to lower carbon and oxygen content species is predicted. Simple lumping functions are employed to obtain conventional lumped pseudocomponents (preasphaltenes, asphaltenes, and oils). Parameter analysis has been carried out.