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Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells |
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| Authors: | Srinivas Appari Vinod M. Janardhanan Sreenivas Jayanti Lubow Maier Steffen Tischer Olaf Deutschmann |
| Affiliation: | aDepartment of Chemical Engineering, IIT Hyderabad, Yeddumailaram, Andhra Pradesh 502 205, India;bDepartment of Chemical Engineering, IIT Madras, Sardar Patel Road, Adayar, Chennai 600 036, Tamil Nadu, India;cKarlsruhe Institute of Technology, Engesserstr.20, D-76131 Karlsruhe, Germany |
| Abstract: | This paper presents a detailed surface reaction mechanism for the decomposition of NH3 to H2 and N2 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. |
| Keywords: | NH3 decomposition Catalysis Kinetics SOFC Mathematical modeling Reaction engineering |
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