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Analysis of Electroreduction Performance in the N2-to-NH3 Reactor with Coupled Kinetics-Mass Transport Modeling
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2023-12-05 , DOI: 10.1021/acs.iecr.3c02283 Pan-Wei Bai 1 , Wen-Peng Liang 1 , Yang Lv 1 , Jia-He Chen 1 , Gui-Dong Yang 1 , Tao Xie 1
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2023-12-05 , DOI: 10.1021/acs.iecr.3c02283 Pan-Wei Bai 1 , Wen-Peng Liang 1 , Yang Lv 1 , Jia-He Chen 1 , Gui-Dong Yang 1 , Tao Xie 1
Affiliation
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Electrochemical reduction provides a promising and sustainable technology for ammonia synthesis under ambient conditions. At the moment, the majority of research is focused on developing catalysts with high yield and high faradaic efficiency. However, the characteristics of mass transportation and electrokinetics of the reactor are seldom discussed. In this study, a mathematical model was developed that combined mass transportation, charge migration, and electrode kinetics. The model was validated by using experimental data with an average error of 4.7%. With the established theoretical model, the significant physical and chemical phenomena inside the reactor were discussed in detail. Effects of structural and operating parameters including applied potential, N2 concentration of feed gas, electrolyte concentration, width of the electrolyte channel, thickness of the catalyst layer, and electrolyte flow rate were investigated. The sensitivities of different parameters were further evaluated. It is believed that the work could provide meaningful guidance for the reactor design and scale-up strategy of electrochemical reduction of the N2-to-NH3 process.
中文翻译：
利用动力学-传质耦合模型分析 N2 制 NH3 反应器中的电还原性能
电化学还原为常温条件下的氨合成提供了一种有前途且可持续的技术。目前，大多数研究集中在开发高产率和高法拉第效率的催化剂。然而，反应器的质量传递和动电学特性却很少被讨论。在这项研究中，开发了一个结合了质量传输、电荷迁移和电极动力学的数学模型。利用实验数据对模型进行了验证，平均误差为4.7%。通过建立的理论模型，详细讨论了反应器内部的重要物理和化学现象。结构和操作参数的影响，包括施加的电势、进料气体的 N2 浓度、电解质浓度、电解质通道宽度、催化剂层厚度、和电解液流速进行了研究。进一步评估不同参数的敏感性。相信该工作可为N2-to-NH的电化学还原反应器设计和放大策略提供有意义的指导。 a>过程。3
更新日期：2023-12-05
中文翻译：
利用动力学-传质耦合模型分析 N2 制 NH3 反应器中的电还原性能
电化学还原为常温条件下的氨合成提供了一种有前途且可持续的技术。目前，大多数研究集中在开发高产率和高法拉第效率的催化剂。然而，反应器的质量传递和动电学特性却很少被讨论。在这项研究中，开发了一个结合了质量传输、电荷迁移和电极动力学的数学模型。利用实验数据对模型进行了验证，平均误差为4.7%。通过建立的理论模型，详细讨论了反应器内部的重要物理和化学现象。结构和操作参数的影响，包括施加的电势、进料气体的 N2 浓度、电解质浓度、电解质通道宽度、催化剂层厚度、和电解液流速进行了研究。进一步评估不同参数的敏感性。相信该工作可为N2-to-NH的电化学还原反应器设计和放大策略提供有意义的指导。 a>过程。3
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