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首页> 外文期刊>Combustion Science and Technology >GAS-PHASE MERCURY CONVERSION IN H_2, O_2, CHLORO C_1-HYDROCARBON, AND NO_x COMBUSTION EFFLUENT FROM USE OF AN ELEMENTARY KINETIC MECHANISM
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GAS-PHASE MERCURY CONVERSION IN H_2, O_2, CHLORO C_1-HYDROCARBON, AND NO_x COMBUSTION EFFLUENT FROM USE OF AN ELEMENTARY KINETIC MECHANISM

机译：使用基本动力学机制在H_2，O_2，氯C_1-烃和NO_x燃烧中的气态汞转化

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摘要

Emissions of gaseous mercury from combustion sources and their control are a major environmental concern facing power generators. The removal of mercury by conversion to mercury halides is evaluated by use of an elementary reaction mechanism that is developed from fundamental principles of thermodynamics and statistical mechanics. Thermochemical properties have been calculated for needed reaction intermediates using CBS-QB3 and density functional methods, and kinetics are from evaluated literature and calculations. An elementary reaction mechanism has been constructed with quantum Rice-Ramsperger-Kassel analysis for chemical activation, and dissociation reactions with Master Equation for fall off. Comparisons of mercury loss versus halogen, hydrocarbon, H_2, H_2O, O_2, CH_4, and NO_x presence in a typical combustion effluent stream are performed. Results illustrate significant effects of H_2 on the formation of HgCl_2, and competing effects of NO_x species with Hg for the halides.rn[Supplementary materials are available for this article. Go to the publisher's online edition of Combustion Science and Technology for the following free supplemental resource: a listing of rate constants at different pressures for association, addition, and insertion (chemical activation) and dissociation reactions for mercury species, plus lists of thermochemical properties and rate constants for each detailed mechanism subreaction set.]
机译：来自燃烧源的气态汞的排放及其控制是发电机面临的主要环境问题。通过使用从热力学和统计力学的基本原理发展而来的基本反应机理，可以评估通过转化为卤化汞来去除汞。已经使用CBS-QB3和密度泛函方法计算了所需反应中间体的热化学性质，动力学来自评估的文献和计算。通过量子莱斯-拉姆斯伯格-卡塞尔分析建立了基本的反应机理，以进行化学活化，并利用主方程进行了离解反应以进行脱落。进行了汞损失与卤素，烃，H_2，H_2O，O_2，CH_4和NO_x在典型燃烧废气流中的存在的比较。结果表明，H_2对HgCl_2的形成具有显着影响，并且NO_x物种与Hg对卤化物有竞争作用。rn[本文提供了补充材料。请访问出版商的《燃烧科学与技术》在线版本，以获取以下免费的补充资源：列出了在不同压力下汞分子的缔合，添加和插入（化学活化）和解离反应的速率常数，以及热化学性质和每个详细机制子反应集的速率常数。]

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