Abstract
In this paper, an efficient and robust algorithm has been developed for simulation of unsteady-state fixed-bed reactors with flow reversal. This algorithm is based upon a rigorous dynamic heterogeneous model, which is solved by a hybrid procedure of discretization and integration. A modified nonequidistance finite-difference method, based on that of Eigenberger and Butt (1976, Chem. Engng Sci. 31, 681–691), is presented for discre tizing the temperature profiles. The resulting ODEs defining solid-phase temperature are solved by an explicit integrator proposed by Ashour and Hanna (1990, Comput. Chem. Engng 14, 267–272). SO 2 oxidation over vanadium catalysts is presented as an example. The “wrong-way” behavior of the reactor has been discussed, with a critical feed temperature defined for its occurrence.
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