STUDY ON REACTION MECHANISMS OF TRACE ELEMENTS DURING PROCESS OF COAL COMBUSTION BASED ON QUANTUM CHEMISTRY AND ADVANCEMENT THEREOF

doi:10.19666/j.rlfd.2005.04.004

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STUDY ON REACTION MECHANISMS OF TRACE ELEMENTS DURING PROCESS OF COAL COMBUSTION BASED ON QUANTUM CHEMISTRY AND ADVANCEMENT THEREOF

更新时间：2025-09-28

- STUDY ON REACTION MECHANISMS OF TRACE ELEMENTS DURING PROCESS OF COAL COMBUSTION BASED ON QUANTUM CHEMISTRY AND ADVANCEMENT THEREOF
- Thermal Power Generation Issue 4, Pages: 15-19(2005)
- 作者机构：
  
  1. 华中科技大学,湖北,武汉,430074
  2. ,湖北,武汉,430074
- 作者简介：
- 基金信息：
- DOI：10.19666/j.rlfd.2005.04.004
  CLC： TQ534
- Published：2005
- 稿件说明：
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STUDY ON REACTION MECHANISMS OF TRACE ELEMENTS DURING PROCESS OF COAL COMBUSTION BASED ON QUANTUM CHEMISTRY AND ADVANCEMENT THEREOF[J]. Thermal power generation, 2005, (4): 15-19.
DOI：

STUDY ON REACTION MECHANISMS OF TRACE ELEMENTS DURING PROCESS OF COAL COMBUSTION BASED ON QUANTUM CHEMISTRY AND ADVANCEMENT THEREOF[J]. Thermal power generation, 2005, (4): 15-19. DOI： 10.19666/j.rlfd.2005.04.004.

摘要

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。

Abstract

A summary of present situation for study on chemical reaction mechanisms of trace elements during process of coal combustion has been made

status of utilizing quantum chemistry theory in this domain being presented

the microscopic reaction mechanism of mercury with chrorine containing gas during process of coal combustion being studied. The fundamental elements reaction has been determined on the basis of transition state theory in the quantum chemistry

and the resolving process of its kinetic parameters being given. Finally

the key subjects and directions of studying the reaction mechanisms of trace elements by using quantum chemistry have been put forward.

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School of Chemistry, Chemical Engineering and Life Sciences, Wuhan University of Technology

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