Three gas-phase oxidation reactors are studied: the reaction of sulfur
dioxide to sulfur trioxide, o-xylene to phthalic anhydride, and n-but
ane to maleic anhydride. Mathematical models are developed to account
for the transport phenomena in packed-bed reactors. A software package
, the Chemical Reactor Design Tool, is used to solve these models and
assess the effect of transport phenomena, Phenomena studied include he
at and mass transfer resistances around the catalyst particles; densit
y, velocity, and pressure variations; radial dispersion; and axial dis
persion. Criteria are developed and taken from the literature to estim
ate the importance of these phenomena a priori. These criteria are com
pared with the results of the computer simulations. In most cases, the
criteria accurately predict which phenomena are important to a partic
ular reactor design. When the estimate from the criterion is questiona
ble or borderline, computer simulations can be used to investigate the
phenomenon's significance.