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Title: New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2

Abstract

The reaction pathway of ethanol steam reforming on Co-ZrO2 has been identified and the active sites associated with each step are proposed. Ethanol is converted to acetaldehyde and then to acetone, followed by acetone steam reforming. More than 90% carbon was found to follow this reaction pathway. N2-Sorption, X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR), in situ X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy, as well as theoretical Density Functional Theory (DFT) calculations have been employed to identify the structure and functionality of the catalysts, which was further used to correlate their performance in ESR. It was found that metallic cobalt is mainly responsible for the acetone steam reforming reactions; while, CoO and basic sites on the support play a key role in converting ethanol to acetone via dehydrogenation and condensation/ketonization reaction pathways. The current work provides fundamental understanding of the ethanol steam reforming reaction mechanisms on Co-ZrO2 catalysts and sheds light on the rational design of selective and durable ethanol steam reforming catalysts.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1177707
Report Number(s):
PNNL-SA-103135
47582; HT0201000
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Catalysis. B, Environmental, 162:141-148
Country of Publication:
United States
Language:
English
Subject:
ethanol steam reforming; cobalt; reaction pathway; acetone; oxidation state; Environmental Molecular Sciences Laboratory

Citation Formats

Sun, Junming, Karim, Ayman M., Mei, Donghai, Engelhard, Mark H., Bao, Xinhe, and Wang, Yong. New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2. United States: N. p., 2015. Web. doi:10.1016/j.apcatb.2014.06.043.
Sun, Junming, Karim, Ayman M., Mei, Donghai, Engelhard, Mark H., Bao, Xinhe, & Wang, Yong. New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2. United States. doi:10.1016/j.apcatb.2014.06.043.
Sun, Junming, Karim, Ayman M., Mei, Donghai, Engelhard, Mark H., Bao, Xinhe, and Wang, Yong. Thu . "New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2". United States. doi:10.1016/j.apcatb.2014.06.043.
@article{osti_1177707,
title = {New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2},
author = {Sun, Junming and Karim, Ayman M. and Mei, Donghai and Engelhard, Mark H. and Bao, Xinhe and Wang, Yong},
abstractNote = {The reaction pathway of ethanol steam reforming on Co-ZrO2 has been identified and the active sites associated with each step are proposed. Ethanol is converted to acetaldehyde and then to acetone, followed by acetone steam reforming. More than 90% carbon was found to follow this reaction pathway. N2-Sorption, X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR), in situ X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy, as well as theoretical Density Functional Theory (DFT) calculations have been employed to identify the structure and functionality of the catalysts, which was further used to correlate their performance in ESR. It was found that metallic cobalt is mainly responsible for the acetone steam reforming reactions; while, CoO and basic sites on the support play a key role in converting ethanol to acetone via dehydrogenation and condensation/ketonization reaction pathways. The current work provides fundamental understanding of the ethanol steam reforming reaction mechanisms on Co-ZrO2 catalysts and sheds light on the rational design of selective and durable ethanol steam reforming catalysts.},
doi = {10.1016/j.apcatb.2014.06.043},
journal = {Applied Catalysis. B, Environmental, 162:141-148},
number = ,
volume = ,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}