A Simulation Framework for Electrochemical Processes with Electrolyte Flow

Abstract

Software tools for simulating electrochemical processes (e.g. COMSOL Multiphysics, ELSYCA) are mostly of the commercial type. In addition, three-dimensional simulations in complex cell geometries are known to become resource-expensive, as typically thin concentration boundary layers must be resolved. This work presents a simulation framework for electrochemical processes based on the open source platform OpenFOAM. The finite volume method used and combined with domain decomposition benefits from multi-core computer architectures. Our framework takes into account electrolyte flow, which is well known to affect mass transfer, and allows us to consider multi-species electrolytes and forcing of the electrolyte. The stability and fast convergence of the method presented is found to rely on the linearization of the Butler-Volmer condition in the iterative solver. The framework is validated against an analytical solution valid for simplified conditions and an electrodeposition process at a conically shaped electrode in an external magnetic field. The latter exhibits transient departure of the concentration boundary layer from the cathode, and excellent agreement with COMSOL simulation results is found.

Screening potential anodic chemistry in lieu of the oxygen evolution reaction in electrolysis systems: the road to practical application

“…The shape of the flow path influences the flow distribution on the catalyst layer, which relates to the engineering design of the electrolyser. 204,220,222,223 Computational fluid mechanics (CFD) combined with experimental results confirmed the low flow resistance in the parallel flow path. 220 Nonetheless, the fluid distribution is uneven among the channels.…”

“…204,220,222,223 Computational fluid mechanics (CFD) combined with experimental results confirmed the low flow resistance in the parallel flow path. 220 Nonetheless, the fluid distribution is uneven among the channels. 225 The serpentine-shaped flow path ensures the identical flow rate at each channel, but comes at the expense of a much higher flow resistance.…”

“…The mass, momentum and heat transfer strongly influence the performance of practical reactors, and tremendous efforts were spent on the design of a flow field in an electrolyzer-mainly based on the distribution of fluids on the reaction interface and the flow resistance. [218][219][220] Generally, the supply of reactants, removal of products (especially for the gaseous products) and thermal management are coupled in the flow path, which should meet the stringent requirements on the physical and chemical conditions for specific reactions. For instance, in the eCO 2 RR reaction that produces C 2 , the complete transformation of the intermediate CO could be fulfilled by a sufficiently long flow path design.…”

Influence of the Applied External Magnetic Field on the Deposition of Ni–Cu Alloys

“…The creation of the MHD effect, especially with the application of medium-intensity magnetic fields (0.6 T), can be used to tailor the chemical composition of nanostructures based on anodic alumina membranes, in terms of Co, Co-Fe, and Co-Ru systems [16,17]. The impact of the MHD phenomenon is usually considered in numerical simulations using OpenFOAM [18] or Comsol V 5.6 software [19,20]. The outcome is compared with the experimental results.…”

Influence of Substrate Preparation on the Catalytic Activity of Conical Ni Catalysts

“…In the case of metal surfaces for catalytic applications, surface engineering relies mainly on the behavior of materials to design the most promising catalysts [3]. Numerical simulations can be successfully applied to understand some phenomena [4,5]. The importance of surface preparation on catalytic activity has already been confirmed in [6,7].…”