Mathematical Modeling of Alkaline Methanol Oxidation for Design of Efficient Fuel Cells
Mathematical Modeling of Alkaline Methanol Oxidation for Design of Efficient Fuel Cells
复制标题
用于高效燃料电池设计的碱性甲醇氧化数学模型
DOI：
10.1007/978-3-030-35944-7_9
复制
发表时间：
2018
期刊：
影响因子：
--
通讯作者：
I. Nikitin
中科院分区：
文献类型：
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作者：
L. Nikitina S. Pott-U. Krewer T. Haisch T. Clees;I. Nikitin
本文考虑碱性甲醇氧化的电化学动力学模型，该过程与高效燃料电池的设计有关。与氢氧燃料电池相比，直接甲醇型燃料电池在安全性和储存方面具有很大的优势。它们具有高能量密度，特别适用于便携式应用。燃料在碱性介质中的氧化允许使用廉价的电极。氧化过程的数学模型包括描述基元反应的高阶非线性微分方程组。该模型还具有14个未知反应常数和6个描述中间体表面覆盖度的动力学变量。这些变量不能直接测量，但可以通过参数识别过程重建。该程序包括微分方程系统的数值积分，测量和建模的循环伏安图之间的距离的自动全局最小化，迭代蒙特卡罗搜索和交互参数study.The开发的方法已被应用到9个循环伏安图的电池与不同浓度的碱和燃料。重建了反应常数，讨论了反应常数与浓度的关系。以中间体的重构演化形式给出了系统的动力学行为。
This paper considers the electrochemical kinetic model of alkaline methanol oxidation, the process, relevant for the design of efficient fuel cells. Fuel cells of direct methanol type have a great advantage in safety and storage compared to hydrogen-oxygen fuel cells. They possess high energy density and are especially suitable for portable applications. The oxidation of fuel in an alkaline medium allows the use of affordable electrodes.The mathematical model of the oxidation process includes a system of non-linear differential equations of high order, describing elementary reactions. The model also possesses 14 unknown reaction constants and 6 dynamic variables describing surface coverages of the intermediates. These variables cannot be measured directly, but can be reconstructed by the parameter identification procedure. The procedure comprises numerical integration of the system of differential equations, automatic global minimization of the distance between measured and modeled cyclic voltammograms, iterative Monte Carlo search and interactive parameter study.The developed methods have been applied to 9 cyclic voltammograms of cells with different concentrations of alkaline and fuel. The reaction constants have been reconstructed, their dependence on concentrations has been discussed. Dynamic behavior of the system in form of the reconstructed evolution of the intermediates has been presented.
聚焦超声治疗规划：元建模、优化、可视化
影响因子：
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作者：
T. Clees;N. Hornung;I. Nikitin;L. Nikitina;D. Steffes;S. Klimenko
通讯作者：
S. Klimenko
DOI：
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发表时间：
2018
期刊：
International Conference on Simulation and Modeling Methodologies, Technologies and Applications
影响因子：
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作者：
T. Clees;I. Nikitin;L. Nikitina;S. Pott;U. Krewer;T. Haisch
通讯作者：
T. Haisch
用于河床形态动力学分位数估计的准蒙特卡罗和 RBF 元建模
DOI：
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发表时间：
2013
期刊：
International Conference on Simulation and Modeling Methodologies, Technologies and Applications
影响因子：
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作者：
T. Clees;I. Nikitin;L. Nikitina;S. Pott
通讯作者：
S. Pott