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

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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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  -