炉内再燃区自由基变化及其化学机理的模拟  

Study on changes of radicals and kinetic model in reburning area

作　　者：沈伯雄[1] 孙幸福[1] 

机构地区：[1]南开大学环境科学与工程学院,天津300071

出　　处：《计算机与应用化学》2005年第1期43-46,共4页Computers and Applied Chemistry

基　　金：国家自然科学基金(90210013)

摘　　要：采用GRI 3.0数据库和Gear算法再现炉内再燃脱硝再燃区中化学反应和自由基的变化规律,然后采用敏感性分析的方法揭示再燃区中对NO脱除起直接作用的反应与化学机理。研究表明在再燃脱硝再燃区中直接起到脱硝作用的主要基元物质为:NH、CH_3、CH_2、CH、HCCO、NCO、C、CH_2(S)。HCN和HNCO虽然没有直接和NO反应,但在脱硝中发生重要作用,主要通过形成一些中间自由基发生作用。该研究为再燃脱硝的技术的应用提供理论基础。The changes of different radicals have been represented by GRI 3.0 data bank and Gear algorithm for reburning area. The radicals containing C-H such as CH_4, O_2, H_2O, CO, CO_2, H, O, OH, CH_3, C_2H_4 and CH_2O changes greatly during reburning. The radicals containing N such as HCN, HNCO, NO_2 , NH_3 , NH_2 , N_2O and HCNO also change greatly during reburning. The main combustion chemistry mechanism and reactions with NO have been discovered by sensitivity analysis. The radicals such as NH, CH_3,CH_2, CH, HCCO, NCO, C, CH_2(S) react with NO directly to reduce NO concentration. Although the mass such as HCN and HNCO do not react with NO directly, they play an important role in the reburning area reaction system. The main reactions among them are analysis. The study provides the foundation to the technology of reburning.

关 键 词：再燃脱硝 敏感性分析 化学机理 

分 类 号：X701.7[环境科学与工程—环境工程]