基于量子化学的燃煤过程痕量元素反应机理研究及其进展STUDY ON REACTION MECHANISMS OF TRACE ELEMENTS DURING PROCESS OF COAL COMBUSTION BASED ON QUANTUM CHEMISTRY AND ADVANCEMENT THEREOF
王臣,徐明厚,刘晶,郑楚光
摘要(Abstract):
对煤燃烧过程痕量元素化学反应机理的研究现状进行综述,介绍量子化学理论在该领域的应用情况,研究了煤燃过程中汞与含氯气体反应的微观机理。基于量子化学过渡态理论,确定了基元反应,并给出其动力参数的求解过程,提出了采用量子化学理论研究痕量元素反应机理的重点和方向。
关键词(KeyWords): 煤燃烧;痕量元素;化学反应;化学动力学;量子化学
基金项目(Foundation):
作者(Author): 王臣,徐明厚,刘晶,郑楚光
DOI: 10.19666/j.rlfd.2005.04.004
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