A systematic methodology for kinetic modeling of chemical reactions applied to n-hexane hydroisomerization

Kinetic modeling provides chemical engineers with a unique opportunity to better understand reaction kinetics in general and the underlying chemistry in particular. How to systematically approach a modeling assignment in chemical reaction kinetics is typically less clear, especially for novices in t...

Celý popis

Uloženo v:
Podrobná bibliografie
Vydáno v:AIChE journal Ročník 61; číslo 3; s. 880 - 892
Hlavní autoři: Toch, Kenneth, Thybaut, Joris W., Marin, Guy B.
Médium: Journal Article
Jazyk:angličtina
Vydáno: New York Blackwell Publishing Ltd 01.03.2015
American Institute of Chemical Engineers
Témata:
bifunctional zeolite
Catalysts
Chemical engineering
Chemical engineers
Chemical reactions
Data analysis
hydroisomerization
kinetic modeling
Kinetics
Mathematical analysis
Mathematical models
Methodology
n-hexane
Optimization
Reaction kinetics
Regression
systematic approach
ISSN:0001-1541, 1547-5905
On-line přístup:Získat plný text
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
Popis
Shrnutí:Kinetic modeling provides chemical engineers with a unique opportunity to better understand reaction kinetics in general and the underlying chemistry in particular. How to systematically approach a modeling assignment in chemical reaction kinetics is typically less clear, especially for novices in the field. The proposed modeling methodology pursues an adequate compromise between statistical significance and physical meaning of the kinetic model and the corresponding parameters and typically results in models of an appropriate complexity. It comprises the following activities: (1) data analysis, aiming at qualitative information on the reaction mechanism and corresponding rate equations, (2) model regression to quantify this information via optimal parameter values, and (3) validation of the statistical significance and physical meaning of the parameter estimates. This methodology is successfully applied to n‐hexane hydroisomerization on a bifunctional catalyst. © 2014 American Institute of Chemical Engineers AIChE J, 61: 880–892, 2015
Bibliografie:istex:96AA5D1E75E6CB63E40294AF9E484D86B2249D4F
European Commission in the 7th Framework Programme - No. GA n°228953
Long Term Structural Methusalem Funding
ark:/67375/WNG-L5LQZBVC-3
ArticleID:AIC14680
Flemish Government
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 14
ObjectType-Article-1
ObjectType-Feature-2
content type line 23
ISSN:0001-1541
1547-5905
DOI:10.1002/aic.14680