Density functional theory simulation of the deoxygenation of lignite model compounds in the aqueous phase under a CO atmosphere catalyzed by OH<sup>−</sup> ions-Reference-Cited by-同舟云学术

Density functional theory simulation of the deoxygenation of lignite model compounds in the aqueous phase under a CO atmosphere catalyzed by OH⁻ ions

Published:2022 Issue:15 Volume:46 Page:7187-7194
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Zheng Qing¹^ORCID,Wang Huhu¹,Peng Wencai¹²^ORCID,Zhang Jianshu¹²,Zhang Jinli¹³^ORCID,Tong Yanbin¹,Li Jun⁴

Affiliation:

1. School of Chemistry and Chemical Engineering, Shihezi University, Shihezi 832003, Xinjiang, China

2. Key Laboratory for Green Processing of Chemical Engineering of Xinjiang Bingtuan, Shihezi, Xinjiang, China

3. Key Laboratory for Systems Bioengineering MOE, Tianjin University, Collaborative Innovation Centre of Chemical Science and Chemical Engineering (Tianjin), Tianjin 300072, China

4. State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190, China

Abstract

The most probable active H species (H−) in the CO–OH− system and the catalytic cycle of OH− in this process were identified.

Funder

National Natural Science Foundation of China

Xinjiang Production and Construction Corps

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ00385F

Reference31 articles.

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3. The effect of the particulate phase on coal biosolubilisation mediated by Trichoderma atroviride in a slurry bioreactor

4. Influences of exchangeable metallic species on solvent extraction of Xiaolongtan lignite and characterization of the separated portions

5. Direct liquefaction techniques on lignite coal: A review

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