燃煤过程痕量元素动力学机理的研究进展

由于痕量元素在煤中的含量低微、检测困难,加之其原子量一般较大,可能的反应途径多,使得相关的反应机理研究难度极大。本文结合作者的研究成果,介绍了煤燃烧过程中痕量元素化学反应动力学的国内外研究进展,包括痕量元素化学动力学机理的建立;相关的典型实验、计算模拟及其实验验证、动力学机理模型的简化;痕量元素反应动力学机理的完善和发展,包括采用简单碰撞理论、活化络合物理论(亦称过渡态理论,或绝对反应速率理论)对痕量元素化学反应动力学机理的修正;最后指出煤燃烧过程中痕量元素动力学研究的若干方向是: (1)痕量元素反应动力学模型数据库的建立;(2)煤燃烧过程中,主量元素和次量元素的动力学机理的完善; (3)各痕量元素之间动力学研究的开展; (4)实际燃烧过程中痕量元素动力学行为的研究。

PROGRESS IN THE RESEARCH OF CHEMICAL KINETIC,S MECHANISM OF TRACE ELEMENTS DURING COAL COMBUSTION

The research of chemical reaction mechanism of trace elements is very difficult due to their low content in coal which makes it uneasy to detect, as well as their large atomic weight which may cause many reaction routes. This paper gives an overview of the research progress, coupled with the authors' research results, in chemical kinetics of trace elements during coal combustion both in China and abroad. The following parts are introduced in detail. Firstly, the establishment of the chemical kinetic mechanism of trace element is briefly described. Secondly, some typical experiments, modeling and validation and simplification of kinetic models are discussed. Thirdly, several ways including the use of Simple Collision Theory, Transition State Theory which is also called Activated Complex Theory or Absolute Reaction Rate Theory, to improve and develop the kinetic mechanism of trace elements are introduced. Finally, several directions regarding the research on the kinetic mechanism of trace elements are listed.