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Title: Strong Evidence of the Role of H2O in Affecting Methanol Selectivity from CO2 Hydrogenation over Cu-ZnO-ZrO2

Abstract

CO2 hydrogenation to methanol with renewable H2 is an ideal process for coupling reduction of greenhouse gas and development of sustainable methanol economy, and Cu-ZnO-ZrO2 is regarded as a promising catalyst for this process. Identification of the key descriptors that control the catalytic activity and selectivity is one of the most important issues for this reaction. In this work, we identify the role of water in the hydrogenation of CO2 to methanol, which strongly affects the selectivity and yield of methanol. Our results reveal that methanol is generated via the hydrolysis of methoxy formed by the hydrogenation of formate, and the desorbed water vapor facilitates the hydrolysis of methoxy. A suitable amount of water in the feed can promote the formation of methanol. The enhancement on the water vapor diffusion in catalysts by structural and/or surface modification offers a new strategy for tuning the selectivity and yield of methanol.

Authors:
 [1];  [1];  [2];  [1]; ORCiD logo [3];  [4];  [5];  [4]
  1. Kunming Univ. of Science and Technology (China)
  2. Kunming Univ. of Science and Technology (China); Columbia Univ., New York, NY (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Kunming Univ. of Science and Technology (China); Dali Univ. (China)
  5. Brookhaven National Lab. (BNL), Upton, NY (United States); Columbia Univ., New York, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NNSFC)
OSTI Identifier:
1614975
Alternate Identifier(s):
OSTI ID: 1703087
Report Number(s):
BNL-213833-2020-JAAM
Journal ID: ISSN 2451-9294
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Chem
Additional Journal Information:
Journal Volume: 6; Journal Issue: 2; Journal ID: ISSN 2451-9294
Publisher:
Cell Press, Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CO2 hydrogenation; methanol; Cu-ZnO-ZrO2 catalyst; role of water; methanol selectivity; reaction pathway

Citation Formats

Yuhao, Wang, Gao, Wengui, Li, Kongzhai, Zheng, Yane, Xie, Zhenhua, Na, Wei, Chen, Jingguang G., and Wang, Hua. Strong Evidence of the Role of H2O in Affecting Methanol Selectivity from CO2 Hydrogenation over Cu-ZnO-ZrO2. United States: N. p., 2019. Web. https://doi.org/10.1016/j.chempr.2019.10.023.
Yuhao, Wang, Gao, Wengui, Li, Kongzhai, Zheng, Yane, Xie, Zhenhua, Na, Wei, Chen, Jingguang G., & Wang, Hua. Strong Evidence of the Role of H2O in Affecting Methanol Selectivity from CO2 Hydrogenation over Cu-ZnO-ZrO2. United States. https://doi.org/10.1016/j.chempr.2019.10.023
Yuhao, Wang, Gao, Wengui, Li, Kongzhai, Zheng, Yane, Xie, Zhenhua, Na, Wei, Chen, Jingguang G., and Wang, Hua. Thu . "Strong Evidence of the Role of H2O in Affecting Methanol Selectivity from CO2 Hydrogenation over Cu-ZnO-ZrO2". United States. https://doi.org/10.1016/j.chempr.2019.10.023. https://www.osti.gov/servlets/purl/1614975.
@article{osti_1614975,
title = {Strong Evidence of the Role of H2O in Affecting Methanol Selectivity from CO2 Hydrogenation over Cu-ZnO-ZrO2},
author = {Yuhao, Wang and Gao, Wengui and Li, Kongzhai and Zheng, Yane and Xie, Zhenhua and Na, Wei and Chen, Jingguang G. and Wang, Hua},
abstractNote = {CO2 hydrogenation to methanol with renewable H2 is an ideal process for coupling reduction of greenhouse gas and development of sustainable methanol economy, and Cu-ZnO-ZrO2 is regarded as a promising catalyst for this process. Identification of the key descriptors that control the catalytic activity and selectivity is one of the most important issues for this reaction. In this work, we identify the role of water in the hydrogenation of CO2 to methanol, which strongly affects the selectivity and yield of methanol. Our results reveal that methanol is generated via the hydrolysis of methoxy formed by the hydrogenation of formate, and the desorbed water vapor facilitates the hydrolysis of methoxy. A suitable amount of water in the feed can promote the formation of methanol. The enhancement on the water vapor diffusion in catalysts by structural and/or surface modification offers a new strategy for tuning the selectivity and yield of methanol.},
doi = {10.1016/j.chempr.2019.10.023},
journal = {Chem},
number = 2,
volume = 6,
place = {United States},
year = {2019},
month = {11}
}

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