A computationally efficient steady-state electrode-level and 1D + 1D cell-level fuel cell model
A computationally efficient steady-state electrode-level and 1D + 1D cell-level fuel cell model
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DOI：
10.1016/j.jpowsour.2012.03.023
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发表时间：
2012-07
影响因子：
9.2
通讯作者：
Cheng Bao;W. Bessler
中科院分区：
文献类型：
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作者：
Cheng Bao;W. Bessler
计算效率对于将详细的电极级和电池级模型升级到燃料电池设计和控制所需的系统级非常重要。我们提出了一种基于分析和数值方法相结合的计算高效的 1D+1D 燃料电池模型。在电极层面，我们通过幂律方法和微扰方法的混合算法开发一维电流/电势分布的近似解析解。与传统的微扰方法相比，这项工作保留了电化学动力学固有的非线性，同时提供了比Adomian分解法等一些纯数学方法更清晰的物理意义。通过将所得的过电势曲线集成到传质模型中，获得浓度过电势，然后使用热力学框架来分析 H2/CO 电化学共氧化动力学。还提出了一种新颖的表达式来相互转换体积和面积特定的交换电流密度。在单元水平上，进一步开发了局部电流密度和固体温度之间的线性关系，以实现高效的一维+一维热沿通道数值模拟，而无需计算迭代。电极级和电池级宏观燃料电池模型都在各种操作条件下根据公开文献中提供的完整数值解进行了验证。通过二维混合分析/数值近似，计算框架预计对于实时模拟来说足够有效。
Computational efficiency is highly important for upscaling detailed electrode-level and cell-level models to the system level required for the design and control of fuel cells. We present a computationally efficient 1D+1D fuel cell model based on a combination of analytical and numerical approaches. On the electrode level, we develop approximate analytical solutions for the 1D current/potential distribution via a hybrid algorithm of power-law approach and perturbation method. Compared to the conventional perturbation method, this work keeps the intrinsic nonlinearity of electrochemical kinetics, while providing clearer physical meaning than some purely mathematical methods like the Adomian decomposition method. By integrating the resulting overpotential profile into mass transfer models, concentration overpotentials are obtained and the thermodynamic framework is then used for analyzing the H2/CO electrochemical co-oxidation kinetics. A novel expression is also presented to interconvert volume- and area-specific exchange current densities. On the cell level, a linear relationship between local current density and solid temperature is further developed for efficient 1D+1D thermal along-the-channel numerical simulations without requiring computational iterations. Both the electrode-level and cell-level macroscopic fuel cell models are validated against full numerical solutions available in the open literatures over a wide range of operating conditions. With the hybrid analytical/numerical approximation in two dimensions, the computational framework is predicted to be sufficiently efficient for real-time simulations.