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

被引：0

作者：

Qu, Yakun ^{[1
]}

Zhao, Xiaoguang ^{[1
]}

Zhao, Yi ^{[1
]}

Dai, Zhenyu ^{[1
]}

Zhou, Han ^{[1
]}

Long, Jun ^{[1
]}

机构：

[1] SINOPEC, Res Inst Petr Proc, Beijing 100083, Peoples R China

来源：

PROCEEDINGS OF THE 2016 5TH INTERNATIONAL CONFERENCE ON ENVIRONMENT, MATERIALS, CHEMISTRY AND POWER ELECTRONICS | 2016年 / 84卷

关键词：

Density Functional Theory; Catalyzer; Catalytic Combustion Mechanism;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：86 / 91

页数：6

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