Distributional Uncertainty Analysis in Transient Heterogeneous Multiscale Catalytic Flow Reactors

This work explores the effects of parameter uncertainty and model-plant mismatch on a transient, spatially heterogeneous multiscale catalytic reactor system. Uncertainty in key system parameters is propagated into the concentration of the reactor product species using power series expansion (PSE). The reactor model is constructed through the combination of continuum equation modeling, to describe mass transport within the reactor, with kinetic Monte Carlo (kMC) simulations that predicts the behavior of the catalyst surface. The uncertainty analysis illustrated in this study is employed to evaluate the effects of uncertainty on the reactor product concentration as it evolves in time and space.