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

Research output: Contribution to journalArticle

7 Citations (Scopus)
69 Downloads (Pure)

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

Fingerprint

Butadiene
ethanol
Ethanol
catalyst
Catalysts
Acetaldehyde
acetaldehyde
Catalyst selectivity
temperature
Dehydrogenation
Covariance matrix
Temperature
condensation
Condensation
matrix
1,3-butadiene
analysis
rate

Keywords

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

Cite this

Microkinetic analysis of ethanol to 1,3-butadiene reactions over MgO-SiO2 catalysts based on characterization of experimental fluctuations. / Da Ros, Simoni; Jones, Matthew; Mattia, Davide; Schwaab, Marcio; Barbosa-Coutinho, Elisa; Rabel-Neto, Raimundo; Noronha, Fabio ; Pinto, Jose.

In: Chemical Engineering Journal, Vol. 308, 15.01.2017, p. 988-1000.

Research output: Contribution to journalArticle

Da Ros, Simoni ; Jones, Matthew ; Mattia, Davide ; Schwaab, Marcio ; Barbosa-Coutinho, Elisa ; Rabel-Neto, Raimundo ; Noronha, Fabio ; Pinto, Jose. / Microkinetic analysis of ethanol to 1,3-butadiene reactions over MgO-SiO2 catalysts based on characterization of experimental fluctuations. In: Chemical Engineering Journal. 2017 ; Vol. 308. pp. 988-1000.
@article{c78a43d05fd147ba9fba793e2bfd5fa7,
title = "Microkinetic analysis of ethanol to 1,3-butadiene reactions over MgO-SiO2 catalysts based on characterization of experimental fluctuations",
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.",
keywords = "Ethanol, 1,3-Butadiene, Kinetics, Rate-limiting step, Experimental error, Heterogeneous catalysis",
author = "{Da Ros}, Simoni and Matthew Jones and Davide Mattia and Marcio Schwaab and Elisa Barbosa-Coutinho and Raimundo Rabel-Neto and Fabio Noronha and Jose Pinto",
year = "2017",
month = "1",
day = "15",
doi = "10.1016/j.cej.2016.09.135",
language = "English",
volume = "308",
pages = "988--1000",
journal = "Chemical Engineering Journal",
issn = "1385-8947",
publisher = "Elsevier",

}

TY - JOUR

T1 - Microkinetic analysis of ethanol to 1,3-butadiene reactions over MgO-SiO2 catalysts based on characterization of experimental fluctuations

AU - Da Ros, Simoni

AU - Jones, Matthew

AU - Mattia, Davide

AU - Schwaab, Marcio

AU - Barbosa-Coutinho, Elisa

AU - Rabel-Neto, Raimundo

AU - Noronha, Fabio

AU - Pinto, Jose

PY - 2017/1/15

Y1 - 2017/1/15

N2 - 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.

AB - 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.

KW - Ethanol

KW - 1,3-Butadiene

KW - Kinetics

KW - Rate-limiting step

KW - Experimental error

KW - Heterogeneous catalysis

U2 - 10.1016/j.cej.2016.09.135

DO - 10.1016/j.cej.2016.09.135

M3 - Article

VL - 308

SP - 988

EP - 1000

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

SN - 1385-8947

ER -