Calculation of Mass Transfer Limitations for a Gas-Phase Reaction in an Isothermal Fixed Bed Reactor: Tutorial and Sensitivity Analysis

Abstract

The study of the reactivity of catalysts requires one to assess chemical kinetics and mechanisms in the absence of mass transport artifacts. Despite the existence of models and criteria for assessing the presence of mass transfer limitations during catalytic tests for gas-phase reactions in isothermal fixed bed reactors, the literature does not present straightforward protocols for performing the latter calculations. In this work, we present a systematic protocol for the calculations above. Particularly, we present protocols for estimating the effectiveness factor for external and the Weisz-Prater number for the internal mass transfer limitations. Data previously published on the oxidation of propane over mixed vanadium–aluminum (hydr)oxides was taken as a case study. Based on these protocols, we did a sensitivity study of the models used for calculations. Results showed that the model for calculating the effectiveness factor was poorly sensitive to all the above modifications. Meanwhile, the Weisz-Prater number was much more sensitive to the studied modifications, even reaching deviations up to ∼200%.