{"title":"甲醇/柴油双燃料燃烧的化学动力学机理及醛排放研究","authors":"Guangyuan Bao , Chao He , Wei Zhang , Jiaqiang Li","doi":"10.1016/j.atmosenv.2025.121528","DOIUrl":null,"url":null,"abstract":"<div><div>To investigate the combustion characteristics of diesel/methanol in the engine cylinder, this study developed a chemical kinetics model for the diesel/methanol (DM) dual-fuel mechanism, comprising 288 reactions and 101 species. The simplified DM mechanism was optimized by adjusting the rate parameters of key reactions, combined with a sensitivity evaluation system for ignition delay time (IDT) and laminar flame speed (LFS). The model's predictions for IDT, LFS, and the concentrations of key species were verified experimentally using a zero-dimensional model. The effects of methanol substitution rate, and altitude on the formation of aldehyde pollutants were systematically analyzed. The results show that the DM mechanism can accurately predict the IDT, LFS, and the formation of key species for a single fuel within the temperature range of 318 K–2000 K, equivalence ratio range of 0.5–2.0, and pressure range of 0.1 MPa–2 MPa. Compared with existing mechanisms, the DM mechanism significantly improves prediction accuracy for these parameters, with R<sup>2</sup> values greater than 0.96 and RMSE values below 0.05, demonstrating higher accuracy and consistency. Furthermore, increasing the methanol substitution rate significantly reduces CH<sub>2</sub>O emissions, while altitude lead to a marked increase in CH<sub>2</sub>O and CH<sub>3</sub>CHO emissions. Therefore, the proposed DM mechanism shows strong applicability and generalization capability in combustion characteristic prediction and pollutant emission control.</div></div>","PeriodicalId":250,"journal":{"name":"Atmospheric Environment","volume":"362 ","pages":"Article 121528"},"PeriodicalIF":3.7000,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Study of the chemical kinetic mechanism and aldehyde emissions in methanol/diesel dual-fuel combustion\",\"authors\":\"Guangyuan Bao , Chao He , Wei Zhang , Jiaqiang Li\",\"doi\":\"10.1016/j.atmosenv.2025.121528\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>To investigate the combustion characteristics of diesel/methanol in the engine cylinder, this study developed a chemical kinetics model for the diesel/methanol (DM) dual-fuel mechanism, comprising 288 reactions and 101 species. The simplified DM mechanism was optimized by adjusting the rate parameters of key reactions, combined with a sensitivity evaluation system for ignition delay time (IDT) and laminar flame speed (LFS). The model's predictions for IDT, LFS, and the concentrations of key species were verified experimentally using a zero-dimensional model. The effects of methanol substitution rate, and altitude on the formation of aldehyde pollutants were systematically analyzed. The results show that the DM mechanism can accurately predict the IDT, LFS, and the formation of key species for a single fuel within the temperature range of 318 K–2000 K, equivalence ratio range of 0.5–2.0, and pressure range of 0.1 MPa–2 MPa. Compared with existing mechanisms, the DM mechanism significantly improves prediction accuracy for these parameters, with R<sup>2</sup> values greater than 0.96 and RMSE values below 0.05, demonstrating higher accuracy and consistency. Furthermore, increasing the methanol substitution rate significantly reduces CH<sub>2</sub>O emissions, while altitude lead to a marked increase in CH<sub>2</sub>O and CH<sub>3</sub>CHO emissions. Therefore, the proposed DM mechanism shows strong applicability and generalization capability in combustion characteristic prediction and pollutant emission control.</div></div>\",\"PeriodicalId\":250,\"journal\":{\"name\":\"Atmospheric Environment\",\"volume\":\"362 \",\"pages\":\"Article 121528\"},\"PeriodicalIF\":3.7000,\"publicationDate\":\"2025-09-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Atmospheric Environment\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1352231025005035\",\"RegionNum\":2,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENVIRONMENTAL SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Atmospheric Environment","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1352231025005035","RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENVIRONMENTAL SCIENCES","Score":null,"Total":0}
Study of the chemical kinetic mechanism and aldehyde emissions in methanol/diesel dual-fuel combustion
To investigate the combustion characteristics of diesel/methanol in the engine cylinder, this study developed a chemical kinetics model for the diesel/methanol (DM) dual-fuel mechanism, comprising 288 reactions and 101 species. The simplified DM mechanism was optimized by adjusting the rate parameters of key reactions, combined with a sensitivity evaluation system for ignition delay time (IDT) and laminar flame speed (LFS). The model's predictions for IDT, LFS, and the concentrations of key species were verified experimentally using a zero-dimensional model. The effects of methanol substitution rate, and altitude on the formation of aldehyde pollutants were systematically analyzed. The results show that the DM mechanism can accurately predict the IDT, LFS, and the formation of key species for a single fuel within the temperature range of 318 K–2000 K, equivalence ratio range of 0.5–2.0, and pressure range of 0.1 MPa–2 MPa. Compared with existing mechanisms, the DM mechanism significantly improves prediction accuracy for these parameters, with R2 values greater than 0.96 and RMSE values below 0.05, demonstrating higher accuracy and consistency. Furthermore, increasing the methanol substitution rate significantly reduces CH2O emissions, while altitude lead to a marked increase in CH2O and CH3CHO emissions. Therefore, the proposed DM mechanism shows strong applicability and generalization capability in combustion characteristic prediction and pollutant emission control.
期刊介绍:
Atmospheric Environment has an open access mirror journal Atmospheric Environment: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Atmospheric Environment is the international journal for scientists in different disciplines related to atmospheric composition and its impacts. The journal publishes scientific articles with atmospheric relevance of emissions and depositions of gaseous and particulate compounds, chemical processes and physical effects in the atmosphere, as well as impacts of the changing atmospheric composition on human health, air quality, climate change, and ecosystems.