通过瞬态数值建模研究工业规模电化学电池中二氧化碳还原成甲酸盐的过程

IF 3.8 3区 工程技术 Q2 ENGINEERING, CHEMICAL Industrial & Engineering Chemistry Research Pub Date : 2024-10-14 DOI:10.1021/acs.iecr.4c03239
Mohammad Bahreini, Martin Désilets, Ergys Pahija, Ulrich Legrand, Jiaxun Guo, Arthur G. Fink
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摘要

气体扩散电极(GDEs)在扩大工业二氧化碳电化学还原电池的规模方面大有可为。本研究介绍了一种代表工业电解槽的瞬态数值模型。该模型包含电化学动力学、均相反应动力学以及阴极室内的传输现象。通过整合整个电解质的全局质量平衡,该模型可分析随时间变化的性能变化,如法拉第效率(FE)。这使我们能够模拟甲酸盐的产生,并了解 GDE 内部的质量传输限制。我们的结果表明,当电解液流速从 120 mL/min 增加到 360 mL/min 时,FE 增加了 4%。然而,进一步将流速提高到 830 毫升/分钟后,结果表明收益递减。此外,将电解液中的 KOH 浓度从 0.5 M 提高到 1 M,可使 FE 增加 7-10%。这项分析为优化工业规模的电化学还原过程提供了宝贵的见解。
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Investigation of CO2 Reduction to Formate in an Industrial-Scale Electrochemical Cell through Transient Numerical Modeling
Gas diffusion electrodes (GDEs) are promising for scaling up industrial CO2 electrochemical reduction cells. This study introduces a transient numerical model representing an industrial electrolyzer. The model incorporates electrochemical kinetics, homogeneous reaction kinetics, and transport phenomena within the cathode compartment. By integrating a global mass balance over the entire electrolyte, it analyzes time-dependent performance variations such as Faradaic efficiency (FE). This allows us to simulate formate production and understand mass transport limitations within the GDE. Our results demonstrated a 4% increase in FE when the electrolyte flow rate was increased from 120 to 360 mL/min. However, further increasing the flow rate to 830 mL/min showed diminishing returns. Additionally, increasing the KOH concentration in the catholyte from 0.5 to 1 M resulted in a 7–10% increase in FE. A slight further increase was observed when increasing from 3 to 4 M. This analysis provides valuable insights into optimizing electrochemical reduction processes at an industrial scale.
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来源期刊
Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research 工程技术-工程:化工
CiteScore
7.40
自引率
7.10%
发文量
1467
审稿时长
2.8 months
期刊介绍: ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.
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