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    CFD-数据驱动混合建模的AEM电解槽多目标参数优化研究

    MultiObjective Parameter Optimization of AEM Electrolyzers via CFDDataDriven Hybrid Modeling

    • 摘要: 在双碳目标与煤炭清洁低碳转型背景下,绿氢是支撑煤化工产业减碳升级、构建洁净煤技术体系的重要二次能源。阴离子交换膜水电解(AEMWE)兼具非贵金属催化的低成本优势与高电流密度的高效能特征,是极具工程应用潜力的绿氢制备技术。但其内部多物理场强耦合、结构与运行参数交互作用复杂,且产氢速率与产物纯度存在固有目标冲突,传统计算流体力学(CFD)逐点寻优计算成本极高,难以支撑多参数协同优化。本文提出融合方差分析(ANOVA)、拉丁超立方采样(LHS)、BP神经网络代理模型与多目标粒子群优化(MOPSO)的快速优化框架。先通过ANOVA从7项候选参数中筛选出电极电导率、电极活性比表面积、电解液浓度、扩散层渗透率及孔隙率5项关键决策变量;基于360组LHS样本与多物理场仿真数据构建BP代理模型,验证其预测精度后耦合MOPSO算法求解Pareto最优解集,采用加权理想点法筛选兼顾双目标的折中最优方案。优化结果表明,代理模型对电流密度与氢气摩尔分数的预测决定系数(R2)分别达0.9913与0.9389,可高效替代高保真CFD仿真完成参数寻优;经MOPSO寻优共获得16个分布均匀的非支配解,最终选取的最优运行与结构参数:电极电导率9811S/m、活性比表面积5314m?1、电解液浓度3733mol/m3、扩散层渗透率1.32×10-10 m2、孔隙率0.50。仿真验证结果显示,优化后电解槽平均电流密度达1.78A/cm2,较基准工况提升3.73%;氢气摩尔分数达0.267,提升5.95%;同时电流密度分布均匀性与气液两相流动稳定性显著改善,两者的变异系数(CV)分别降低19.7%和10.4%,有效抑制了局部电流热点与气泡聚集现象。研究揭示了多参数耦合作用下AEM电解槽的性能演化规律,所提优化框架可实现结构与运行参数的快速协同优化,为AEM电解槽高效稳定运行与智能化参数调控提供了理论依据与技术路径,对推动绿氢在煤炭清洁利用领域的工程应用具有参考价值。

       

      Abstract: Under the background of carbon peaking and carbon neutrality goals and clean and low-carbon transformation of coal, green hydrogen is an important secondary energy supporting the carbon reduction upgrading of coal chemical industry and the construction of clean coal technology system. Anion exchange membrane water electrolysis (AEMWE) has the advantages of low cost with non-noble metal catalysts and high efficiency with the high current density, which is a green hydrogen production technology with great engineering application potential. However, its internal multi-physics fields are strongly coupled, the interaction between structural and operating parameters is complex, and there is an inherent objective conflict between hydrogen production rate and product purity. The traditional computational fluid dynamics(CFD) point-by-point optimization has extremely high computational cost, which is difficult to support multi-parameter collaborative optimization. This paper proposes a rapid optimization framework integrating analysis of variance(ANOVA), Latin hypercube sampling(LHS), BP neural network surrogate model and multi-objective particle swarm optimization(MOPSO). Firstly, 5 key decision variables including electrode conductivity, electrode active specific surface area, electrolyte concentration, diffusion layer permeability and porosity are screened out from 7 candidate parameters via ANOVA. A BP surrogate model is constructed based on 360 groups of LHS samples and multi-physics simulation data. After verifying its prediction accuracy, the MOPSO algorithm is coupled to solve the Pareto optimal solution set, and the weighted ideal point method is adopted to select the compromise optimal scheme considering both objectives. The optimization results show that the determination coefficients(R2) of the surrogate model for current density and hydrogen mole fraction reach 0.9913 and 0.9389 respectively, which can efficiently replace high-fidelity CFD simulation for parameter optimization. A total of 16 uniformly distributed non-dominated solutions are obtained by MOPSO optimization. The final selected optimal operating and structural parameters are as follows: electrode conductivity of 9811S/m, active specific surface area of 5314m?1, electrolyte concentration of 3733mol/m3, diffusion layer permeability of 1.32×10?1?m2, and porosity of 0.50. Simulation verification results show that the average current density of the optimized electrolyzer reaches 1.78A/cm2, increased by 3.73% compared with the baseline condition; the hydrogen mole fraction reaches 0.267, increased by 5.95%. Meanwhile, the uniformity of current density distribution and the stability of gas-liquid two-phase flow are significantly improved, and their coefficients of variation(CV) are reduced by 19.7% and 10.4% respectively, which effectively inhibits local current hot spots and bubble accumulation. This study reveals the performance evolution law of AEM electrolyzers under multi-parameter coupling. The proposed optimization framework can realize rapid collaborative optimization of structural and operating parameters, provide theoretical basis and technical path for efficient and stable operation and intelligent parameter regulation of AEM electrolyzers, and has reference value for promoting the engineering application of green hydrogen in the field of clean coal utilization.

       

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