Experimental and modeling study on the effects of dimethyl methylphosphonate addition on CH4/air and C3H8/air laminar premixed flames

IF 6.7 1区 工程技术 Q2 ENERGY & FUELS
Fuel Pub Date : 2024-11-23 DOI:10.1016/j.fuel.2024.133686
Haizhong Guan, Yindong Song, Yongjie Jiao, Zhixin Zhang, Lei Wang
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Abstract

The present study aimed to address the limitations of existing kinetic mechanisms for dimethyl methylphosphonate (DMMP) by experimental measurements and kinetic optimization. Some new experimental data on laminar flame speeds of CH4/air and C3H8/air mixtures doped with DMMP are obtained through the heat flux method, particularly in the rich combustion region where data are previously scarce. The results verify that, as the equivalence ratio increases, the inhibitory efficiency of DMMP decreases for methane and propane flames, but gradually increases for hydrogen flames. Subsequently, a new optimized DMMP mechanism is proposed utilizing the particle swarm algorithm to adjust the pre-exponential factors of 26 P-containing reactions within their uncertainty domains. The results demonstrate that the optimized mechanism not only improves the laminar flame speed of the DMMP-doped hydrocarbon flames (H2, CH4, and C3H8) in the stoichiometric and rich regions, but also improves the description of ignition delay time for the lean H2/DMMP and the rich CH4/DMMP mixtures. In addition, the updated model shows moderate to significant improvements in species concentration predictions, particularly in reproducing the CO yield during DMMP oxidation in Shock Tube, the HOPO of DMMP pyrolysis in Jet-Stirred Reactor, and the H-radicals of doped premixed flame in Flat Burner. In summary, the updated model offers a more comprehensive and accurate portrayal of the existing measurements including the laminar flame speed, ignition delay time, and species concentration.
添加甲基膦酸二甲酯对 CH4/空气和 C3H8/空气层流预混合火焰影响的实验和模型研究
本研究旨在通过实验测量和动力学优化解决甲基膦酸二甲酯(DMMP)现有动力学机制的局限性。通过热通量法获得了掺杂了 DMMP 的 CH4/空气和 C3H8/空气混合物层燃速度的一些新的实验数据,特别是在以前数据较少的富燃区。结果证实,随着当量比的增加,DMMP 对甲烷和丙烷火焰的抑制效率会降低,但对氢气火焰的抑制效率会逐渐提高。随后,利用粒子群算法提出了一种新的优化 DMMP 机制,以调整 26 个含 P 反应在其不确定域内的预指数因子。结果表明,优化机制不仅提高了掺杂 DMMP 的碳氢化合物火焰(H2、CH4 和 C3H8)在化学计量区和富裕区的层流火焰速度,而且改善了对贫 H2/DMMP 和富 CH4/DMMP 混合物点火延迟时间的描述。此外,更新后的模型在物种浓度预测方面也有适度到显著的改进,尤其是在再现冲击管中 DMMP 氧化过程中的 CO 产率、喷射搅拌反应器中 DMMP 热解过程中的 HOPO 以及平面燃烧器中掺杂预混合火焰的 H-自由基方面。总之,更新后的模型更全面、更准确地反映了现有的测量结果,包括层流火焰速度、点火延迟时间和物种浓度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Fuel
Fuel 工程技术-工程:化工
CiteScore
12.80
自引率
20.30%
发文量
3506
审稿时长
64 days
期刊介绍: The exploration of energy sources remains a critical matter of study. For the past nine decades, fuel has consistently held the forefront in primary research efforts within the field of energy science. This area of investigation encompasses a wide range of subjects, with a particular emphasis on emerging concerns like environmental factors and pollution.
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