一维多物理模拟CO2电解细胞的灵敏度分析2
Harry Dunne1, Weiming Liu1, Mohammad Reza Ghaani1
1School of Physics, Trinity College Dublin, Dublin D02 PN40, Ireland.
概括
电化学二氧化碳 (CO2) 减少模拟为净零能源系统提供了洞察力. 灵敏度分析显示,二氧化碳的部分电流密度受电化学动力学参数的影响最大,突出了潜在的实验模拟差异.
科学领域:
- 电化学 电化学 电化学
- 化学工程是化学工程的重要组成部分.
- 材料科学 材料科学 材料科学
背景情况:
- 电化学 (EC) 二氧化碳 (CO2) 减少对于净零排放至关重要,将CO2转化为有价值的产品.
- 对EC细胞的模拟对于理解操作至关重要,特别是在实验数据有限的短时间和长度尺度上.
研究的目的:
- 为减少二氧化碳而构建和分析膜电极组合EC电池的1D模拟.
- 研究电解质条件对细胞性能的影响.
- 对所有输入参数进行全面的灵敏度分析,对文献做出了新的贡献.
主要方法:
- 开发了一种1D模拟模型,用于带有多孔银气扩散阴极的膜电极组合EC电池.
- 在各种电解质条件下模拟细胞性能.
- 对所有模拟输入参数进行了灵敏度分析,以确定它们对CO部分电流密度 (iCO) 的影响.
主要成果:
- 二氧化碳部分电流密度 (iCO) 受到所有输入参数的显著影响.
- 电化学动力学参数 (i0/α) 具有最高的灵敏度,α的1%变化导致iCO的6%变化.
- 实验和模拟结果之间的差异可能是由于参数不确定性.
结论:
- 灵敏度分析是优化EC电池性能指标的强大工具,例如二氧化碳利用率和法拉第效率.
- 这项研究解释了文献中报告的运动参数 (i0 和 α) 的广泛差异.
- 由于固有的参数不确定性,建议在将实验数据与模拟结果进行比较时谨慎使用.
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