Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells

作者：Appari Srinivas; Janardhanan Vinod M^*; Jayanti Sreenivas; Maier Lubow; Tischer Steffen; Deutschmann Olaf

来源：Chemical Engineering Science, 2011, 66(21): 5184-5191.

DOI：10.1016/j.ces.2011.07.007

• NH3 decomposition
• Catalysis
• Kinetics
• SOFC
• Mathematical modeling
• Reaction engineering

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.

• 出版日期2011-11-1