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Model‐based analysis of chemical‐looping combustion experiments. Part II: Optimal design of CH 4 ‐NiO reduction experiments
Author(s) -
Han Lu,
Zhou Zhiquan,
Bollas George M.
Publication year - 2016
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.15242
Subject(s) - extrapolation , observability , combustion , non blocking i/o , reduction (mathematics) , kinetics , chemical looping combustion , chemical kinetics , work (physics) , thermodynamics , biological system , computer science , chemistry , mathematics , statistics , physics , biochemistry , geometry , quantum mechanics , biology , catalysis
There is significant controversy in the reduction kinetics of chemical‐looping combustion (CLC) between NiO and CH 4 . We propose an application of a model‐based framework to improve the quality of CLC experiments with respect to model discrimination and parameter estimation. First, optimal experiments are designed and executed to reject inadequate models and to determine a true model structure for the reaction kinetics of the CH 4 ‐NiO system. Then, kinetics with statistical significance is estimated from experiments aimed at reducing parameter uncertainty. To maximize the observability of the NiO reduction reactions, fixed bed experiments should exhibit a peak separation of the concentration profiles, an initial high methane slip, and low overall CO 2 selectivity. Several case studies are presented to check the adequacy of the recommended model and evaluate its predictive ability and extrapolation capabilities. The model resulting from this work is validated and suitable for application in process design and optimization. © 2016 American Institute of Chemical Engineers AIChE J , 62: 2432–2446, 2016