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

doi:10.1016/j.cej.2016.09.135

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 language	English
Pages (from-to)	988-1000
Number of pages	13
Journal	Chemical Engineering Journal
Volume	308
Early online date	29 Sept 2016
DOIs	https://doi.org/10.1016/j.cej.2016.09.135
Publication status	Published - 15 Jan 2017

Keywords

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

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10.1016/j.cej.2016.09.135

Paper_02_Revised_NoColorHighlightedAccepted author manuscript, 1.97 MBLicence: CC BY-NC-ND

Cite this

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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",

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doi = "10.1016/j.cej.2016.09.135",

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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

SN - 1385-8947

VL - 308

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JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

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