CFD Modeling of a Gas–Liquid Reactor for Propylene Hydroformylation

Propylene hydroformylation is a typical large-scale gas–liquid reaction. Nevertheless, exorbitant costs and theoretical studies lagging far behind practical industry have prevented advancements in reactor efficiency. In this work, the flow, mass transfer, and reaction processes within the gas–liquid reactor were simulated using a three-dimensional CFD-PBM coupled model. The coupling processes between the flow field, mass transfer, and reaction in the gas–liquid reactor are clarified in this study. It provides precise direction for further process optimization by introducing the Hatta number as a quantitative criterion to determine the reaction’s controlling step (mass transfer-controlled or reaction-controlled). The constraints of conventional single-point analysis were overcome by visualizing a Ha number distribution contour, which showed that about 65% of the volume inside the propylene hydroformylation reactor is in a mass transfer-limited state. Based on this, operational parameter optimization was carried out, and the findings show that reaction efficiency may be successfully increased by reasonably raising the superficial gas velocity and system pressure within a certain range. The conversion rate increased by 23% when the superficial gas velocity doubled and by two times when the pressure doubled. Additionally, the effects of the stirring device and rotational speed were investigated, resulting in a 19% increase in conversion rate after optimization. The design and process optimization of similar hydroformylation gas–liquid reactors can benefit from this research.