Simulation of the Wet Catalytic Phenol Oxidation by Program ASPEN PLUSTM

Abstract

The capacity of simulation program ASPEN PLUSTM was tested on an example of wet catalytic oxidation of diluted aqueous phenol solutions. Phenol was chosen as a representative of bactericidal and difficultly decomposing pollutants of industrial waste waters. The aim consisted in the formulation of a three-phase reaction system including a laboratory autoclave and substances undergoing complicated successive reactions. The program employed the database of non-ideal liquid-vapour equilibria and dissolution of gaseous components and enabled simulation of a non-isobaric reactor with liquid and gaseous starting components and products. The created model of reaction system was treated by non-linear regression procedures in order to identify selected kinetic parameters of partial reactions, determine parametric sensitivities, optimize reaction conditions, and propose a continuous arrangement of wet oxidation with a tubular reactor.