An algorithm for evaluating reaction rates of catalytic reaction networks with strong diffusional effects

SERGIO PATRICIO BRESSA; NÉSTOR JAVIER MARIANI; NÉSTOR OSCAR ARDIACA; GERMÁN DÉLFOR MAZZA; OSVALDO MIGUEL MARTÍNEZ; GUILLERMO FERNANDO BARRETO

Florianópolis, Brasil

Congreso; II Congreso de Ingeniería de Procesos del Mercosur (ENPROMER II).; 1999

Universidad Nacional de Santa Catarina

An adaptive mesh procedure to solve the reaction-diffusion problem for multiple reactions in catalytic pellets with strong diffusional limitations is developed. The discretizing approach selected for this purpose is based on an integral formulation of the conservation equations. The adaptive mesh procedure is based on estimating the error in local reaction rate by using two types of quadratic approximations. A cubic approximation is employed then as the final stage. The algorithm is tried on some test cases derived from the liquid phase catalytic hydrogenation of butadiene and butyne in butene (1, 2-cis and 2-trans) rich hydrocarbon mixtures.