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

doi:10.11949/0438-1157.20221428

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

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.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.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/Abstract

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

中图分类号:

TK 16

禹进, 余彬彬, 蒋新生. 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[J]. 化工学报, 2023, 74(3): 1303-1312.

Jin YU, Binbin YU, Xinsheng JIANG. Study on quantification methodology and analysis of chemical effects of combustion control based on fictitious species[J]. CIESC Journal, 2023, 74(3): 1303-1312.

图/表 10

图1 引入虚拟组分方法的示意图

Fig.1 Schematic diagram of method introducing virtual component

表1 量化方法所需要计算的参数的物理意义及实现方法

Table 1 The definition of the parameters to be calculated by the quantization method

计算参数	物理意义及实现方法
M₀	燃料无添加剂时的燃烧特性参数值
M₁	加入虚拟放热添加剂时的燃烧特性参数值
M₂	加入添加剂后燃料的燃烧特性参数值
ΔM	燃料的燃烧参数的改变量
Φ(R_R)	添加剂的反应-活性基作用
Φ(R _T )	添加剂的反应热-温度作用
Φ(R)	添加剂的总作用

图2 添加剂的燃烧调控作用及其表达式总结

Fig.2 Combustion regulation and expression summary of additives

图3 不同C6F12O含量下甲烷的层流火焰速度的实验值[28]与模拟值对比

Fig.3 Comparison between the experimental[28] and the simulated value of the laminar flame speed of methane under different C6F12O contents

图4 不同C6F12O浓度下对层流火焰速度调控作用的量化

Fig.4 Calculated flame speed change caused by the effects of C6F12O addition

图5 不同C6F12O浓度下热释放与稀释及热容改变作用量化

Fig.5 Quantification of heat release and dilution as well as heat capacity changes under different C6F12O concentrations

图6 不同条件下的层流火焰速度敏感性系数

Fig.6 Sensitivity coefficients of laminar flame speed under different conditions

图7 不同量化方法的对比

Fig.7 Comparison of different quantification methods

图8 不同氢气浓度下对层流火焰速度影响作用量化

Fig.8 Calculated flame speed change caused by the effects of H2 addition

图9 使用正常和虚拟机理获得的层流火焰速度敏感性系数

Fig.9 Sensitivity coefficients of laminar flame speed by using normal and fictitious mechanisms respectively

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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

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

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