Integrated numerical simulation of reactive bubble columns: A coupled approach with openFOAM and PhreeqC

Bubble column reactors are widely used in industry and characterized by their multiphase flow dynamics. The present study details the development and validation of the mass transfer between gas phase (air bubbles and CO 2 bubbles) and liquid phase (tap water and NaOH solution) on the speciation in the liquid phase. To accomplish this, a new coupling of a fluid dynamics model for gas bubbles with a full hydrogeochemical model is presented. In this regard, an Eulerian–Eulerian two-fluid model (implemented in OpenFOAM) is used to analyze the bubble fluid dynamics including all relevant interfacial forces. Additionally, a dynamic Sherwood number has been utilized to model the effects of bubble dynamics on mass transfer. The chemical reactions in the liquid phase are included in the model via an OpenFOAM-PhreeqC coupling. The model has been validated using a well-established test case for injection of CO 2 bubbles into a high pH solution, demonstrating its ability to accurately capture the interaction between multiphase flow dynamics and chemical reactions and the results are in good agreement with published experimental data. Using the calibrated model, the effects of different physical and geometrical parameters on the pH value have been studied. It is expected that the present work enhances understanding of bubble column reactor behavior under various conditions and provides a framework for applications where hydrogeochemical reactions are important for technical safety and economic success such as geothermal heat and power production. • Coupling OpenFOAM with PhreeqC for reactive multiphase flow with full implementation of multi-species hydrochemical conditions. • Validation of the multi-species model against a experimental data of CO2 bubbles injected into a high-pH. • Transfer of the validated model to precipitation in real-world water systems.