Bilal Hussain, Jun Fang, Jianguo Zhang, Wei Li* and Yuyang Li*,
{"title":"氧亚甲基醚(OMEn,n = 0-2)协同燃烧增强氨的燃烧:实验和动力学模型研究","authors":"Bilal Hussain, Jun Fang, Jianguo Zhang, Wei Li* and Yuyang Li*, ","doi":"10.1021/acs.energyfuels.4c0382710.1021/acs.energyfuels.4c03827","DOIUrl":null,"url":null,"abstract":"<p >Ammonia (NH<sub>3</sub>) is a promising zero-carbon fuel with an exceptionally high hydrogen density. However, the feasibility of employing ammonia as a future fuel faces several obstacles including low combustion intensity. Co-firing reactive carbon-neutral fuels, such as oxymethylene ethers (OME<sub><i>n</i></sub>) with NH<sub>3</sub> emerges as an effective approach to enhance NH<sub>3</sub> combustion. This work investigates the laminar flame propagation of NH<sub>3</sub> cofired with dimethyl ether (DME), dimethoxymethane (OME<sub>1</sub>), and methoxy(methoxymethoxy)methane (OME<sub>2</sub>) using a high-pressure high-temperature constant-volume combustion vessel. Laminar burning velocities (LBVs) are measured at an initial temperature of 423 K and pressures of 1–10 atm. A kinetic model for NH<sub>3</sub>/OME<sub><i>n</i></sub> combustion is developed and validated against the measured LBVs in this study, as well as LBVs and speciation data in literature. Both the experimental and kinetic modeling studies indicate the positive effect of cofiring of OME<sub><i>n</i></sub> on ammonia combustion enhancement. The LBV levels of the NH<sub>3</sub>/OME<sub><i>n</i></sub> mixture can be similar to that of methane. The effects of cofiring fuel compositions, equivalence ratios, and pressures are investigated using modeling analysis and the modified fictitious diluent gas method. In mixture combustion, the reaction pathways of ammonia, DME, OME<sub>1</sub>, and OME<sub>2</sub> remain almost unchanged compared to single fuel combustion, despite the slight contribution of C–N interaction. Combustion enhancements result from both chemical effects and thermal effects and their contribution ratios vary according to equivalence ratios and fuel compositions. At ϕ = 1.6, the contribution of chemical effects increases in the order 50%NH<sub>3</sub>/50%DME, 50%NH<sub>3</sub>/50%OME<sub>1</sub>, and 50%NH<sub>3</sub>/50%OME<sub>2</sub>. Though there are similar LBVs for DME, OME<sub>1</sub>, and OME<sub>2</sub>, the mixture LBVs follow the sequence of 50%NH<sub>3</sub>/50%DME < 50%NH<sub>3</sub>/50%OME<sub>1</sub> < 50%NH<sub>3</sub>/50%OME<sub>2</sub>, which can be attributed to the influence of their lower heating values. A quasi-square relationship between normalized LBVs and energy fraction can be derived by using the correction of the energy fraction for the three NH<sub>3</sub>/OME<sub><i>n</i></sub> mixtures.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 22","pages":"22516–22526 22516–22526"},"PeriodicalIF":5.2000,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Combustion Enhancement of Ammonia by Cofiring Oxymethylene Ethers (OMEn, n = 0–2): An Experimental and Kinetic Modeling Investigation\",\"authors\":\"Bilal Hussain, Jun Fang, Jianguo Zhang, Wei Li* and Yuyang Li*, \",\"doi\":\"10.1021/acs.energyfuels.4c0382710.1021/acs.energyfuels.4c03827\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Ammonia (NH<sub>3</sub>) is a promising zero-carbon fuel with an exceptionally high hydrogen density. However, the feasibility of employing ammonia as a future fuel faces several obstacles including low combustion intensity. Co-firing reactive carbon-neutral fuels, such as oxymethylene ethers (OME<sub><i>n</i></sub>) with NH<sub>3</sub> emerges as an effective approach to enhance NH<sub>3</sub> combustion. This work investigates the laminar flame propagation of NH<sub>3</sub> cofired with dimethyl ether (DME), dimethoxymethane (OME<sub>1</sub>), and methoxy(methoxymethoxy)methane (OME<sub>2</sub>) using a high-pressure high-temperature constant-volume combustion vessel. Laminar burning velocities (LBVs) are measured at an initial temperature of 423 K and pressures of 1–10 atm. A kinetic model for NH<sub>3</sub>/OME<sub><i>n</i></sub> combustion is developed and validated against the measured LBVs in this study, as well as LBVs and speciation data in literature. Both the experimental and kinetic modeling studies indicate the positive effect of cofiring of OME<sub><i>n</i></sub> on ammonia combustion enhancement. The LBV levels of the NH<sub>3</sub>/OME<sub><i>n</i></sub> mixture can be similar to that of methane. The effects of cofiring fuel compositions, equivalence ratios, and pressures are investigated using modeling analysis and the modified fictitious diluent gas method. In mixture combustion, the reaction pathways of ammonia, DME, OME<sub>1</sub>, and OME<sub>2</sub> remain almost unchanged compared to single fuel combustion, despite the slight contribution of C–N interaction. Combustion enhancements result from both chemical effects and thermal effects and their contribution ratios vary according to equivalence ratios and fuel compositions. At ϕ = 1.6, the contribution of chemical effects increases in the order 50%NH<sub>3</sub>/50%DME, 50%NH<sub>3</sub>/50%OME<sub>1</sub>, and 50%NH<sub>3</sub>/50%OME<sub>2</sub>. Though there are similar LBVs for DME, OME<sub>1</sub>, and OME<sub>2</sub>, the mixture LBVs follow the sequence of 50%NH<sub>3</sub>/50%DME < 50%NH<sub>3</sub>/50%OME<sub>1</sub> < 50%NH<sub>3</sub>/50%OME<sub>2</sub>, which can be attributed to the influence of their lower heating values. A quasi-square relationship between normalized LBVs and energy fraction can be derived by using the correction of the energy fraction for the three NH<sub>3</sub>/OME<sub><i>n</i></sub> mixtures.</p>\",\"PeriodicalId\":35,\"journal\":{\"name\":\"Energy & Fuels\",\"volume\":\"38 22\",\"pages\":\"22516–22526 22516–22526\"},\"PeriodicalIF\":5.2000,\"publicationDate\":\"2024-11-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Energy & Fuels\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03827\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENERGY & FUELS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Energy & Fuels","FirstCategoryId":"5","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03827","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
Combustion Enhancement of Ammonia by Cofiring Oxymethylene Ethers (OMEn, n = 0–2): An Experimental and Kinetic Modeling Investigation
Ammonia (NH3) is a promising zero-carbon fuel with an exceptionally high hydrogen density. However, the feasibility of employing ammonia as a future fuel faces several obstacles including low combustion intensity. Co-firing reactive carbon-neutral fuels, such as oxymethylene ethers (OMEn) with NH3 emerges as an effective approach to enhance NH3 combustion. This work investigates the laminar flame propagation of NH3 cofired with dimethyl ether (DME), dimethoxymethane (OME1), and methoxy(methoxymethoxy)methane (OME2) using a high-pressure high-temperature constant-volume combustion vessel. Laminar burning velocities (LBVs) are measured at an initial temperature of 423 K and pressures of 1–10 atm. A kinetic model for NH3/OMEn combustion is developed and validated against the measured LBVs in this study, as well as LBVs and speciation data in literature. Both the experimental and kinetic modeling studies indicate the positive effect of cofiring of OMEn on ammonia combustion enhancement. The LBV levels of the NH3/OMEn mixture can be similar to that of methane. The effects of cofiring fuel compositions, equivalence ratios, and pressures are investigated using modeling analysis and the modified fictitious diluent gas method. In mixture combustion, the reaction pathways of ammonia, DME, OME1, and OME2 remain almost unchanged compared to single fuel combustion, despite the slight contribution of C–N interaction. Combustion enhancements result from both chemical effects and thermal effects and their contribution ratios vary according to equivalence ratios and fuel compositions. At ϕ = 1.6, the contribution of chemical effects increases in the order 50%NH3/50%DME, 50%NH3/50%OME1, and 50%NH3/50%OME2. Though there are similar LBVs for DME, OME1, and OME2, the mixture LBVs follow the sequence of 50%NH3/50%DME < 50%NH3/50%OME1 < 50%NH3/50%OME2, which can be attributed to the influence of their lower heating values. A quasi-square relationship between normalized LBVs and energy fraction can be derived by using the correction of the energy fraction for the three NH3/OMEn mixtures.
期刊介绍:
Energy & Fuels publishes reports of research in the technical area defined by the intersection of the disciplines of chemistry and chemical engineering and the application domain of non-nuclear energy and fuels. This includes research directed at the formation of, exploration for, and production of fossil fuels and biomass; the properties and structure or molecular composition of both raw fuels and refined products; the chemistry involved in the processing and utilization of fuels; fuel cells and their applications; and the analytical and instrumental techniques used in investigations of the foregoing areas.