Study on explosion mechanism of peroxide with quantum chemistry

被引：0

作者：

Qian, XM ^{[1
]}

Ling, C ^{[1
]}

Guo, H ^{[1
]}

机构：

[1] Beijing Inst Technol, State Key Lab Prevent & Control Explos Disaster, Beijing 100081, Peoples R China

来源：

PROGRESS IN SAFETY SCIENCE AND TECHNOLOGY, VOL 4, PTS A and B | 2004年 / 4卷

关键词：

thermal decomposition; Benzoyl Peroxide; quantum chemistry; Gaussian; 98;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The thermal decomposition of peroxides caused serious accidents in chemical industries. Experimental research on the decomposition of peroxides indicated the critical conditions in macro level. There is few research on the explosion mechanism was carried out in the past decades. By means of quantum chemistry calculation, this paper discussed the five possible decomposition courses of the Benzoyl Peroxide BPO. With Gaussian98 program, the decomposition of BPO was fixed based on quantum chemistry criterion.

引用

页码：1685 / 1690

页数：6

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