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Issue Information
Publication year - 2019
Publication title -
aiche journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.16307
Subject(s) - citation , set (abstract data type) , courtesy , arrow , product (mathematics) , computer science , information retrieval , chemistry , process engineering , operations research , engineering , library science , mathematics , political science , geometry , law , programming language
Cover illustration. Balancing model detail with the information contained in an experimental data set is far from trivial using purely statistical techniques. Accounting for physico chemical considerations is essential, as demonstrated via a case study of steam methane reforming (SMR) on a Ni/MgO‐SiO 2 catalyst in a packed bed reactor. The most simple Numaguchi model was not able to reproduce the significant decrease in methane conversion with increasing water inlet partial pressure. Accounting for competitive reactant adsorption sufficed to adequately capture this effect while additionally including product adsorption did not lead to further improvements but rather to overparameterization. The model with reactant adsorption successfully simulates the experimentally observed trends and presents itself on the balance between model detail (green arrows) and available information (red arrow). The acquisition of additional data may allow the significant determination of additional model features and parameters (black arrow). Images courtesy of Brigitte Devocht, Kenneth Toch, Joris Thybaut, Laboratory for Chemical Technology, Ghent University, Ghent, Belgium, and Naoki Kageyama, University of Tokyo, Dept. of Chemical System Engineering, Tokyo, Japan. DOI 10.1002/aic.16512