氨/氢/空气火焰中NO生成反应机理的综合评价

IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL
Jiangkuan Xing, Zhenhua An, Xingyuan Liang, Ruixiang Wang, Ryoichi Kurose
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引用次数: 0

摘要

高氮排放是氨(NH3)作为清洁燃料利用面临的重大挑战之一。尽管近几十年来氨/氢(NH3/H2)燃烧的反应动力学有了显著进展,但它们对一氧化氮(NO)形成的预测效果如何还没有得到彻底的研究。为此,本文通过对NH3/H2/空气火焰中NO生成的预测和多个实验来源的测量结果的比较,综合评估了现有的反应动力学。具体而言,从已发表的文献中收集了6种不同构型的实验数据来源和36种反应机理。对这些反应机理的预测结果与实验结果进行了定量比较。研究发现,不同构型的反应机理性能不同,所收集的反应机理均不能很好地再现所有实验数据集。这可能是由于这些动力学模型是根据不同的目标开发/优化的。总的来说,Mei等人开发的动力学模型[燃烧。Flame, 2020, 220, 368-377]证明了在各种构型下预测NO形成的卓越准确性,实现了最低的平均绝对误差(MAE)。本研究为NH3/H2/空气火焰数值模拟中NO生成机理的选择提供了有价值的指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A comprehensive assessment of reaction mechanisms for NO formation in ammonia/hydrogen/air flames
High nitrogen emission is one of the significant challenges for the utilization of ammonia (NH3) as a clean fuel. Although the reaction kinetics for ammonia/hydrogen (NH3/H2) combustion have advanced significantly in the recent decades, how well they predict nitric oxide (NO) formation has not been thoroughly examined. To this end, this paper comprehensively assesses the existing reaction kinetics for NO formation in NH3/H2/air flames through comparisons between their predictions and measurements from multiple sources of experiments. Specifically, six sources of experimental data from various configurations and thirty-six reaction mechanisms are collected from the published literature. The predictions of those reaction mechanisms are quantitatively compared with the experimental measurements. It is discovered that the performance of the reaction mechanisms varies across different configurations, and none of the collected mechanisms can well reproduce all the experimental data-sets. This could be attributed to the fact that those kinetic models were developed/optimized based on different targets. Overall, the kinetic model developed by Mei et al. [Combust. Flame, 2020, 220, 368-377] demonstrates superior accuracy in predicting NO formation across various configurations, achieving the lowest mean absolute error (MAE). The present work provides valuable guidelines on the selection of reaction mechanisms for NO formation in numerical simulations of NH3/H2/air flames.
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来源期刊
International Journal of Hydrogen Energy
International Journal of Hydrogen Energy 工程技术-环境科学
CiteScore
13.50
自引率
25.00%
发文量
3502
审稿时长
60 days
期刊介绍: The objective of the International Journal of Hydrogen Energy is to facilitate the exchange of new ideas, technological advancements, and research findings in the field of Hydrogen Energy among scientists and engineers worldwide. This journal showcases original research, both analytical and experimental, covering various aspects of Hydrogen Energy. These include production, storage, transmission, utilization, enabling technologies, environmental impact, economic considerations, and global perspectives on hydrogen and its carriers such as NH3, CH4, alcohols, etc. The utilization aspect encompasses various methods such as thermochemical (combustion), photochemical, electrochemical (fuel cells), and nuclear conversion of hydrogen, hydrogen isotopes, and hydrogen carriers into thermal, mechanical, and electrical energies. The applications of these energies can be found in transportation (including aerospace), industrial, commercial, and residential sectors.
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