摘要
汽油抗爆剂是汽油中一种重要添加剂,它对于提高汽油的辛烷值具有特殊作用.选取有机抗爆剂中的低碳烷基胺与邻羟基苯胺作为对比研究对象,对能量、电离势、前线分子轨道和自由键轨道等多个影响其抗爆性能的因素进行了较为详细的理论计算和比较研究,从理论上了解了邻羟基苯胺和低碳烷基胺抗爆性能与其微观特性间的关系.
The antiknock agents is one of the important additives in gasoline. It is able to increase octane number. In this paper, low-carbon alkylamine and o-hydroxyanihne are selected as research objects. The energy, ionization potential, frontier molecular orbital and nature bond orbit have been computed and compared in detail, all of which affect the antiknock performance. From analyzses, the relationship between antiknock agents and their microcosmic characters has been obtained.
出处
《四川师范大学学报（自然科学版）》
CAS
CSCD
北大核心
2005年第5期584-587,共4页
Journal of Sichuan Normal University（Natural Science）
基金
四川省青年基金
四川省教育厅重点基金资助项目
关键词
胺类抗爆剂
抗爆性能
量子化学
电离势
理论研究
Amine antiknock agents
Antiknock performance
Quantum chemistry
Ionization potential
Theoretical study
