The Mathematical Modeling of Heterogeneous Catalytic Processes

Abstract

The basic strategies in the mathematical modeling of heterogeneous catalytic processes are reviewed. A novel approach together with a general computational scheme are presented for modeling any heterogeneous catalytic reaction. The proposed mathematical approach permits dynamic simulation of process performance as a function of all major operating variables, including time, and provisions are made to include interactions between catalyst deactivation and catalyst selectivity. Furthermore, necessary conditions are formulated that permit internal consistency checks. The principles and approach outlined are expected to be helpful in developing new mathematical process models and in improving the general validity and predictive capabilities of existing process correlations/models.