Mathematical modeling and simulation of electrochemical reactors: A critical review

Rivera, Fernando F.; Pérez, Tzayam; Castañeda, Locksley F.; Nava, José L.

doi:10.1016/j.ces.2021.116622

Cited by 84 publications

(31 citation statements)

References 225 publications

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“…On top of that, and given the modularity of these systems, large-scale reactions are also within reach, as numbering-approaches allow to increase the scale in a cheap, robust, safe, and sustainable fashion. In addition to that, computational fluid dynamic 293 and machine learning-assisted models 294 are also being applied to further understand the different physical processes occurring in the electrochemical cells, such as hydrodynamics, mass transport, heat transfer and current distribution, in an effort to streamline the choice of suitable reaction conditions. DFT and computational modelling can be utilised to predict the overpotential requirements of SAC-based electrosynthetic transformations, providing a mechanistic understanding and facilitating the deduction of structure–function correlations, from which more efficient and optimal single-atom electrocatalysts can be rationally designed and fabricated.…”

Section: Concluding Remarks and Learning Outcomesmentioning

confidence: 99%

Interfacing single-atom catalysis with continuous-flow organic electrosynthesis

et al. 2022

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Section: Concluding Remarks and Learning Outcomesmentioning

confidence: 99%

Interfacing single-atom catalysis with continuous-flow organic electrosynthesis

et al. 2022

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“…Hence, it is not suitable for this study to consider turbulent dispersion force. The Euler–Euler model can handle numerous types of multiphase flow and is suitable for simulating the macroscopic behavior of many bubbles rising through the liquid [ 32 ]. Consequently, the Euler–Euler model is generally considered the most suitable for the two-phase flow.…”

Section: Modelmentioning

confidence: 99%

Numerical Study on Hydrodynamic Characteristics and Electrochemical Performance of Alkaline Water Electrolyzer by Micro-Nano Surface Electrode

Xia

Gao

et al. 2022

Materials

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This study constructed a two-dimensional alkaline water electrolyzer model based on the two-phase flow Euler–Euler model. In the model, the micro-nano surface electrodes with different structure types and graphic parameters (distance, height, and width) were used and compared with the vertical flat electrode to evaluate their influence on electrolysis performance. The simulation results show that the performance of the micro-nano surface electrode is much better than that of the vertical flat electrode. The total length of micro-nano structural units relates to the contact area between the electrode and the electrolyte and affects the cell voltage, overpotential, and void fraction. When rectangular structural units with a distance, height, and width of 0.5 µm, 0.5 µm, and 1 µm are used, the total length of the corresponding micro-nano surface electrode is three times that of the vertical flat electrode, and the cathode overpotential decreases by 65.31% and the void fraction increases by 54.53% when it replaces the vertical flat electrode.

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“…15 Thus, it is of great need to know the actual flow distribution, current distribution, and electrode potential distribution inside the reactors to provide reliable data, enabling scale-up. 2,16 A laboratory-scale cell can offer an initial scale-up assessment for a new electrochemical system in a more realistic environment, such as kinetics and long-term stability. 2,17 To understand physical information, hydrodynamics, current or potential distributions, and mass transfer properties of several filter-press electrochemical reactors have been simulated and described in studies of the literature.…”

Section: Introductionmentioning

confidence: 99%

“…2,16 A laboratory-scale cell can offer an initial scale-up assessment for a new electrochemical system in a more realistic environment, such as kinetics and long-term stability. 2,17 To understand physical information, hydrodynamics, current or potential distributions, and mass transfer properties of several filter-press electrochemical reactors have been simulated and described in studies of the literature. 1,2,6 The electrochemical reactions were usually characterized in the well-known electrolysers, for example, FM01-LC and 10,16 EletroSynCell.…”

Section: Introductionmentioning

confidence: 99%

Modeling and Comparison of Typical Design of Filter-Press Flow Electrochemical Reactors

Wei

2022

Ind. Eng. Chem. Res.

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For scale-up and further development toward commercialization, the influences of flow manifolds on the filterpress electrochemical reactor performance are evaluated by simulations in this study. The simulations are verified by the homemade laboratory-scale reactors. The flow distribution, current distribution, electrode potential distribution, and mass transfer properties inside reactors are presented and discussed particularly. The application of a flow distributor and a turbulence promoter contributes to a homogeneous flow distribution and concentration distribution. Serpentine and parallel manifolds are not favorable for electrolysis performance. The electrolysis performances of these reactors with different flow manifolds are ordered as follows: empty channels with a flow distributor > empty channels with enlarged entrance > empty channels with a flow distributor and turbulence promoter > simple empty channels > serpentine flow > parallel flow.

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Mathematical modeling and simulation of electrochemical reactors: A critical review

Cited by 84 publications

References 225 publications

Interfacing single-atom catalysis with continuous-flow organic electrosynthesis

Interfacing single-atom catalysis with continuous-flow organic electrosynthesis

Numerical Study on Hydrodynamic Characteristics and Electrochemical Performance of Alkaline Water Electrolyzer by Micro-Nano Surface Electrode

Modeling and Comparison of Typical Design of Filter-Press Flow Electrochemical Reactors

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