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Modeling the dehydration of tert-butyl alcohol and avoidance of the formation of oligomers

Bothe, D. and Steinkemper, A. and Warnecke, H.-J. (2006):
Modeling the dehydration of tert-butyl alcohol and avoidance of the formation of oligomers.
In: Ind. Eng. Chem. Res., pp. 2986-2993, 45, [Article]

Item Type: Article
Erschienen: 2006
Creators: Bothe, D. and Steinkemper, A. and Warnecke, H.-J.
Title: Modeling the dehydration of tert-butyl alcohol and avoidance of the formation of oligomers
Language: English
Journal or Publication Title: Ind. Eng. Chem. Res.
Volume: 45
Divisions: 04 Department of Mathematics > Mathematical Modelling and Analysis
UNSPECIFIED
Zentrale Einrichtungen
04 Department of Mathematics
Date Deposited: 12 Apr 2011 12:54
Identification Number: doi:10.1021/ie050623r
Alternative Abstract:
Alternative abstract Language
A new mechanistic reaction scheme of the dehydration of t-butanol in sulfuric acid is proposed which accounts for a parallel reaction path via di-t-butylether. Based on the quasi-steady-state approximation concerning intermediates, a mathematical model is developped that incorporates the acidity of the solvent. Model validation is done by means of experimental data obtained from stationary CSTR-measurements at different temperatures under reaction conditions that exclude the formation of oligomeres. It is shown how numerical simulations, combining this mathematical model with experimental correlations of their generation from literature, allows for maximisation of isobutene yield in batch reactor under avoidance of the formation of oligomeres.English
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