化工学报 ›› 2023, Vol. 74 ›› Issue (3): 1303-1312.DOI: 10.11949/0438-1157.20221428

• 能源和环境工程 • 上一篇    下一篇

一种基于虚拟组分的燃烧调控化学作用量化及分析方法研究

禹进1,2,3(), 余彬彬1,4(), 蒋新生1()   

  1. 1.中国人民解放军陆军勤务学院油料系,重庆 401331
    2.重庆交通大学航空学院,重庆 400074
    3.绿色航空能源动力重庆市重点实验室,重庆 401120
    4.中国人民解放军陆军勤务学院国家救灾应急装备工程技术研究中心,重庆 401331
  • 收稿日期:2022-11-01 修回日期:2023-01-30 出版日期:2023-03-05 发布日期:2023-04-19
  • 通讯作者: 余彬彬,蒋新生
  • 作者简介:禹进(1990—),男,博士,副教授,yjin123@yeah.net
  • 基金资助:
    国家自然科学基金项目(52006020);火灾与爆炸安全防护重庆市重点实验室(军用油库安全与设施设备评测实验室)开放基金项目(LQ21KFJJ04);重庆市博士后创新人才支持计划项目(CQBX202215)

Study on quantification methodology and analysis of chemical effects of combustion control based on fictitious species

Jin YU1,2,3(), Binbin YU1,4(), Xinsheng JIANG1()   

  1. 1.Petroleum, Oil & Lubricants Department, Army Logistics Academy of PLA, Chongqing 401331, China
    2.School of Aeronautics, Chongqing Jiaotong University, Chongqing 400074, China
    3.Chongqing Key Laboratory of Green Aviation Energy and Power, Chongqing 401120, China
    4.National Engineering Research Center for Disaster & Emergency Relief Equipment,Army Logistics Academy of PLA, Chongqing 401331, China
  • Received:2022-11-01 Revised:2023-01-30 Online:2023-03-05 Published:2023-04-19
  • Contact: Binbin YU, Xinsheng JIANG

摘要:

针对会发生自身反应的添加剂的燃烧调控化学作用的量化方法仍不够完善的难题,提出了一种基于虚拟组分的燃烧调控化学作用量化及分析的新方法。通过设置虚拟组分,将添加剂反应过程中活性基池的自由基作用和放热作用解耦。提出将添加剂的化学作用分为反应热-温度作用和反应-活性基作用,并给出了相应的数学表达式。基于提出的新方法,分别选取全氟己酮和氢气作为添加剂加入甲烷火焰的两个典型工况进行量化研究。结果表明该方法能有效地量化卤代烃灭火剂的燃烧加强作用及抑制作用和氢气的促进作用,配合敏感性分析方法可有效分析影响调控作用的反应路径。提出的方法为分析添加剂促燃/抑制机理提供了新的分析手段,也为下一代新型燃烧添加剂的筛选和开发奠定了理论基础。

关键词: 反应动力学, 燃烧调控, 反应路径, 数值模拟, 量化方法, 化学反应

Abstract:

Aiming at the problem that the quantification method of the combustion regulation chemical effect of additives that will undergo self-reaction is still not perfect, a new method for quantification and analysis of the combustion regulation chemical effect based on virtual components is proposed. The reaction-active radical effect and reaction heat-temperature effect have been defined and formulated. Based on the proposed new methodology, two typical cases of C6F12O (Novec 1230) and hydrogen added to methane fuel as additives are investigated respectively. It is observed that when C6F12O is added to methane, the reaction heat-temperature effect and reaction-radical effect are both negative when equivalence ratio φ=1.0. when φ=0.6, the reaction heat-temperature effect exhibit a very weak inhibition, while the reaction-radical effect appear to promote combustion. Proposed methodology is compared with one-step reaction methodology, the results show that the reaction-radical effect includes both the self-reaction of hydrogen and the chemical effect of its product, so that the quantified value is smaller than the self-reaction effect value quantified by the single-step reaction methodology. Besides, present methodology adopts a detailed mechanism, which can eliminate the error caused by fitting the reaction coefficient of the single-step reaction mechanism. Finally, based on sensitivity analysis, key reactions of reaction-active radical effect and reaction heat-temperature effect for C6F12O and hydrogen addition are analyzed. This study is expected to provide theoretical support for the quantitative analysis of chemical additive properties, screening and development of new additives.

Key words: reaction kinetics, combustion control, reaction path, numerical simulation, quantification methodology, chemical reaction

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