Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics

Study on Carbon - Oxygen Catalytic Combustion Mechanism based on Density Functional Theory

Authors
Yakun Qu, Xiaoguang Zhao, Yi Zhao, Zhenyu Dai, Han Zhou, Jun Long
Corresponding Author
Yakun Qu
Available Online August 2016.
DOI
10.2991/emcpe-16.2016.19How to use a DOI?
Keywords
Density Functional Theory; Catalyzer; Catalytic Combustion Mechanism
Abstract

Catalytic combustion is an important technique for utilization of fossil fuels, and the research on catalytic combustion mechanism could provide theoretical basis for the selection of catalyzer.In this paper, we adopt the Ni catalyst to promote the oxidation combustion reaction, and carry out study on carbon - oxygen catalytic combustion mechanism based on density functional theory. The result suggests that Ni catalyst could significantly improve the carbon - oxygen catalytic combustion performance.

Copyright
© 2016, the Authors. Published by Atlantis Press.
Open Access
This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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Volume Title
Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics
Series
Advances in Engineering Research
Publication Date
August 2016
ISBN
10.2991/emcpe-16.2016.19
ISSN
2352-5401
DOI
10.2991/emcpe-16.2016.19How to use a DOI?
Copyright
© 2016, the Authors. Published by Atlantis Press.
Open Access
This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Cite this article

TY  - CONF
AU  - Yakun Qu
AU  - Xiaoguang Zhao
AU  - Yi Zhao
AU  - Zhenyu Dai
AU  - Han Zhou
AU  - Jun Long
PY  - 2016/08
DA  - 2016/08
TI  - Study on Carbon - Oxygen Catalytic Combustion Mechanism based on Density Functional Theory
BT  - Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics
PB  - Atlantis Press
SP  - 86
EP  - 91
SN  - 2352-5401
UR  - https://doi.org/10.2991/emcpe-16.2016.19
DO  - 10.2991/emcpe-16.2016.19
ID  - Qu2016/08
ER  -