Modelling the effects of reaction temperature and flow rate on the conversion of ethanol to 1,3-butadiene

Simoni Da Ros, Matthew Jones, Davide Mattia, Marcio Schwaab, Fabio Noronha, Jose Pinto

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

A full factorial experimental design was performed to investigate the conversion of ethanol to 1,3-butadiene (1,3-BD), through manipulation of the reaction temperature and ethanol weight hourly space velocity. Reactions were carried out in presence of the catalyst K2O:ZrO2:ZnO/MgO-SiO2, prepared by co-precipitation methods. Mathematical models were developed to correlate observed product selectivities, 1,3-BD yields and productivities with the manipulated reaction variables, allowing for quantification of variable effects on catalyst activity and assessment of the kinetic mechanism. Obtained 1,3-BD productivities were as high as 0.5 gBD/gcat.h, with 1,3-BD yields of 27 %. Results suggest that acetaldehyde condensation is the rate determining step.
LanguageEnglish
Pages37-47
JournalApplied Catalysis A General
Volume530
Early online date10 Nov 2016
DOIs
StatusPublished - 25 Jan 2017

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Butadiene
Ethanol
Flow rate
Productivity
Temperature
Acetaldehyde
Coprecipitation
Design of experiments
Condensation
Catalyst activity
Mathematical models
Catalysts
Kinetics
1,3-butadiene

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Modelling the effects of reaction temperature and flow rate on the conversion of ethanol to 1,3-butadiene. / Da Ros, Simoni; Jones, Matthew; Mattia, Davide; Schwaab, Marcio; Noronha, Fabio ; Pinto, Jose.

In: Applied Catalysis A General, Vol. 530, 25.01.2017, p. 37-47.

Research output: Contribution to journalArticle

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