Jiangkuan Xing, Zhenhua An, Xingyuan Liang, Ruixiang Wang, Ryoichi Kurose
{"title":"氨/氢/空气火焰中NO生成反应机理的综合评价","authors":"Jiangkuan Xing, Zhenhua An, Xingyuan Liang, Ruixiang Wang, Ryoichi Kurose","doi":"10.1016/j.ijhydene.2025.151598","DOIUrl":null,"url":null,"abstract":"<div><div>High nitrogen emission is one of the significant challenges for the utilization of ammonia (NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>) as a clean fuel. Although the reaction kinetics for ammonia/hydrogen (NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>) 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 NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/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 NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/air flames.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"180 ","pages":"Article 151598"},"PeriodicalIF":8.3000,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A comprehensive assessment of reaction mechanisms for NO formation in ammonia/hydrogen/air flames\",\"authors\":\"Jiangkuan Xing, Zhenhua An, Xingyuan Liang, Ruixiang Wang, Ryoichi Kurose\",\"doi\":\"10.1016/j.ijhydene.2025.151598\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>High nitrogen emission is one of the significant challenges for the utilization of ammonia (NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>) as a clean fuel. Although the reaction kinetics for ammonia/hydrogen (NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>) 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 NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/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 NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/air flames.</div></div>\",\"PeriodicalId\":337,\"journal\":{\"name\":\"International Journal of Hydrogen Energy\",\"volume\":\"180 \",\"pages\":\"Article 151598\"},\"PeriodicalIF\":8.3000,\"publicationDate\":\"2025-09-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Hydrogen Energy\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0360319925046002\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Hydrogen Energy","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0360319925046002","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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 (NH) as a clean fuel. Although the reaction kinetics for ammonia/hydrogen (NH/H) 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 NH/H/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 NH/H/air flames.
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.