Modeling Pore-Scale Two-Phase Flow: How to Avoid Gas-Channeling Phenomena in Micropacked-Bed Reactors via Catalyst Wettability Modification

Abstract

A model capable of providing a reliable estimation of two-phase flow dynamics and mass-transfer coefficients, is lacking for the design of micropacked-bed reactors via correlations, especially when the particle size of the bed is around 100 μm. In this work, we present a validation of the use of the phase field method for reproducing two-phase flow experiments found in the literature. This numerical simulation strategy sheds light on the impact of the micropacked-bed geometry and wettability on the formation of preferential gas channels. Counterintuitively, to homogenize the two-phase flow hydrodynamics and reduce radial mass-transfer limitations, solvent wettability of the support needs to be restricted, showing best performance when the contact angle ranges to 60° and capillary forces are still dominant. The tuning of gas–liquid–solid interactions by surface wettability modification opens a new window of opportunity for the design and scale-up of micropacked-bed reactors.