Quantum chemistry method of the study on low-temperature self-ignite mechanism of coal

摘要：

The analysis of microcosmic reactivity mechanism and calculation of energy effect on coal at low temperature is a difficult problem.By the quantum chemistry method,different atoms or functional groups of the coal molecule surface can be studied,and the foremost physics absorption energy effect of coal oxidation at low-temperature can be calculated.Then the microcosmic mechanism of the coal self-ignite can be indicated.

关键词： Quantum chemistry Coal Low temperature self-ignite mechanism Physics absorption energy

作者: Yang Jing Wang Zhenhua Tan Yunzhen

作者单位: College of Chemical and Environmental Engineering,SUST,Qingdao,Shandong 266510,China

会议类型: 国际会议

会议名称: The 2007 International Conference on Mine Hazards Prevention and Control(2007矿山灾害预防与控制国际学术会议)

会议地点: 青岛

会议语种:英文

页码: 100-102

在线出版日期: 2007-10-17（万方平台首次上网日期，不代表论文的发表时间）