Exploring an Electrochemical Batch Reactor for Nutrient Recovery from Wastewater: Continuum Modeling Analysis of Hydrodynamics and Tertiary Current Distribution
Authors: Zanganeh Ardavan , Daramola Damilola 
Published: August 2024

Advancing electrochemical reactors for nutrient recovery from wastewater requires an integration of continuum modeling alongside experimental investigations to appropriately capture transport effects on electrode performance. This continuum modeling approach facilitates the comprehensive evaluation and optimization of electrochemical reactor performance, especially with respect to intricate phenomena that may be challenging to observe solely through experimentation. The optimization process not only enhances the efficacy of existing batch reactors but also lays the foundation for designing and scaling up continuous electrochemical reactors for nutrient recovery [1].
A key transport phenomenon in electrochemistry is hydrodynamics because flow dynamics around electrodes dictate mass transport magnitude and uniformity, thereby impacting current distribution, efficiency, and electrolytic energy consumption during electrolysis. Achieving homogeneous velocity fields while avoiding undesirable flow features is essential to prevent non-uniform potential and current density distributions along the electrodes, mitigating side reactions and ensuring the overall efficacy of the electrochemical processes [2].
In this study, a two-dimensional model of an electrochemical batch reactor was developed using COMSOL Multiphysics software to investigate reactor hydrodynamics, electrochemical reactions, and mass transfer of species. Employing the finite element method, the model incorporated the k-epsilon turbulence model for hydrodynamics simulation, widely used in literature for simulating fluid flow and mixing behavior [3]. Electrochemical reactions at the cathode (oxygen reduction) were modeled using the Butler-Volmer equation, while the Tafel equation was applied at the anode (hydrogen evolution). Boundary conditions were a grounded counter electrode (anode) and a potential of -1.1 vs Ag/AgCl(sat.) applied to the working electrode (cathode). Fick's second law diffusion-convective equation was employed to model the mass transfer of species, including hydroxide and oxygen.
Preliminary findings indicate that while impellers contribute to turbulence and affect local conditions around electrodes, the impact on the backside of the modeled electrodes is relatively weak (Figure 1). This observation may adversely influence mass transfer rates and electrochemical reactions, underscoring the significance of integrating these results with electrochemical reactions for a comprehensive understanding of reactor behavior. Additional results will be presented at the meeting.
References:
[1] Kody D. Wolfe, Ardavan Zanganeh, Richard N. Arthur, Jason P. Trembly, and Damilola A. Daramola, "Considerations for Electrochemical Phosphorus Precipitation: A Figures of Merit Approach." Electrochemical Society Interface 32 (2023): 51
[2] Rivera, Fernando F., Tzayam Pérez, Locksley F. Castañeda, and José L. Nava. "Mathematical modeling and simulation of electrochemical reactors: A critical review." Chemical Engineering Science 239 (2021): 116622.
[3] Park, Seongeon, Jonggeol Na, Minjun Kim, and Jong Min Lee. "Multi-objective Bayesian optimization of chemical reactor design using computational fluid dynamics." Computers & Chemical Engineering 119 (2018): 25-37.

Figure 1