Microkinetic analysis of ethanol to 1,3-butadiene reactions over MgO-SiO2 catalysts based on characterization of experimental fluctuations

Simoni Da Ros, Matthew Jones, Davide Mattia, Marcio Schwaab, Elisa Barbosa-Coutinho, Raimundo Rabel-Neto, Fabio Noronha, Jose Pinto

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Abstract

Microkinetic analysis of ethanol to 1,3-butadiene reactions over MgO-SiO2 catalysts was performed based on the detailed characterization of experimental fluctuations, taking into account the influence of the reaction temperature and catalyst properties on ethanol conversion and product selectivities. The obtained results show that both reaction temperature and catalysts properties affected experimental fluctuations significantly. The local microkinetic information contained in the covariance matrix of experimental fluctuations indicated the change of the rate-limiting step as reaction temperature increased: from 300 to 400 ºC, the rate-limiting step was identified as the acetaldehyde condensation, while at 450 ºC, ethanol dehydrogenation step limits the 1,3-butadiene production.
Original languageEnglish
Pages (from-to)988-1000
Number of pages13
JournalChemical Engineering Journal
Volume308
Early online date29 Sep 2016
DOIs
Publication statusPublished - 15 Jan 2017

Keywords

  • Ethanol
  • 1,3-Butadiene
  • Kinetics
  • Rate-limiting step
  • Experimental error
  • Heterogeneous catalysis

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