Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells
Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells
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DOI：
10.1016/j.ces.2011.07.007
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发表时间：
2011-11-01
影响因子：
4.7
通讯作者：
Deutschmann, Olaf
中科院分区：
文献类型：
--
作者：
Appari, Srinivas;Janardhanan, Vinod M.;Deutschmann, Olaf
本文详细介绍了Ni表面NH3分解为H-2和N-2的表面反应机理。该机制在700至1500 K的温度范围和5.3 Pa至100 kPa的压力范围内得到验证。采用统一键指数-二次指数势（UBI-QEP）法计算了各初等步骤的活化能。通过灵敏度分析研究了各种动力学参数对反应速率的影响。利用NH3分解机理模拟了以NH3燃料为燃料的SOFC纽扣电池。(C) 2011 Elsevier Ltd.版权所有。
This paper presents a detailed surface reaction mechanism for the decomposition of NH3 to H-2 and N-2 on a Ni surface. The mechanism is validated for temperatures ranging from 700 to 1500 K and pressures from 5.3 Pa to 100 kPa. The activation energies for various elementary steps are calculated using the unity bond index-quadratic exponential potential (UBI-QEP) method. Sensitivity analysis is carried out to study the influence of various kinetic parameters on reaction rates. The NH3 decomposition mechanism is used to simulate SOFC button cell operating on NH3 fuel. (C) 2011 Elsevier Ltd. All rights reserved.