{"title":"加氢和氨裂解对氨/甲醇共混物燃烧特性的比较评价","authors":"Malak Djermane, Yacine Rezgui, Ammar Tighezza","doi":"10.1134/S0023158425600117","DOIUrl":null,"url":null,"abstract":"<p>This investigation examined the combustion characteristics of ammonia/methanol blends under varying conditions of hydrogen enrichment, comparing direct hydrogen additon against ammonia cracking. The analysis encompassed key parameters including laminar burning velocity, adiabatic temperature, pool radical (H/O/OH/HO<sub>2</sub>) concentrations, ammonia and methanol reaction pathways, and NO<sub><i>x</i></sub> emissions. The research was conducted under premixed combustion conditions with air as the oxidizer, across a wide range of equivalence ratios (0.6 to 1.2 with a step of 0.1) and hydrogen fractions (from 0 to 60%). A modified one-dimensional model (Premix) integrated with Chemkin II and a detailed kinetic mechanism combining the chemistries of hydrogen, ammonia, methanol, syngas, and methane was employed. The neat laminar premixed flame consisted of 60% ammonia and 40% methanol at 1 atm pressure. Hydrogen was incrementally incorporated to this mixture, either through direct addition or via ammonia cracking, in 10 wt % steps, while maintaining constant equivalence ratios. Particular focus was given to the concentration-dependent effects of these blends on the formation of NO, NO<sub>2</sub>, and N<sub>2</sub>O. The modified fictitious diluent gas method was utilized to isolate thermal contributions from other effects in enhancement of laminar burning velocities of NH<sub>3</sub>/CH<sub>3</sub>OH mixtures. The findings revealed that both hydrogen incorporation methods substantially enhanced the combustion intensity of NH<sub>3</sub>/CH<sub>3</sub>OH mixtures, with direct addition showing superior performance. In the case of ammonia cracking, the effects of H<sub>2</sub> and N<sub>2</sub> on laminar burning velocity became more pronounced with increasing NH<sub>3</sub> cracking. Notably, the H<sub>2</sub>-promoting effect consistently outweighed the N<sub>2</sub>-inhibiting effect. For a fixed hydrogen percentage (whether from direct addition or ammonia cracking), NO emissions peaked at an equivalence ratio of 0.9 before declining. Furthermore, the relationship between hydrogen content and NO formation exhibited two distinct zones: 0–40 and 40–60% hydrogen. These findings were explained through a comprehensive analysis of radical species dynamics and reaction pathways.</p>","PeriodicalId":682,"journal":{"name":"Kinetics and Catalysis","volume":"66 3","pages":"263 - 279"},"PeriodicalIF":1.4000,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Comparative Evaluation of Hydrogen Addition and Ammonia Cracking on the Combustion Characteristics of Ammonia/Methanol Blends\",\"authors\":\"Malak Djermane, Yacine Rezgui, Ammar Tighezza\",\"doi\":\"10.1134/S0023158425600117\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>This investigation examined the combustion characteristics of ammonia/methanol blends under varying conditions of hydrogen enrichment, comparing direct hydrogen additon against ammonia cracking. The analysis encompassed key parameters including laminar burning velocity, adiabatic temperature, pool radical (H/O/OH/HO<sub>2</sub>) concentrations, ammonia and methanol reaction pathways, and NO<sub><i>x</i></sub> emissions. The research was conducted under premixed combustion conditions with air as the oxidizer, across a wide range of equivalence ratios (0.6 to 1.2 with a step of 0.1) and hydrogen fractions (from 0 to 60%). A modified one-dimensional model (Premix) integrated with Chemkin II and a detailed kinetic mechanism combining the chemistries of hydrogen, ammonia, methanol, syngas, and methane was employed. The neat laminar premixed flame consisted of 60% ammonia and 40% methanol at 1 atm pressure. Hydrogen was incrementally incorporated to this mixture, either through direct addition or via ammonia cracking, in 10 wt % steps, while maintaining constant equivalence ratios. Particular focus was given to the concentration-dependent effects of these blends on the formation of NO, NO<sub>2</sub>, and N<sub>2</sub>O. The modified fictitious diluent gas method was utilized to isolate thermal contributions from other effects in enhancement of laminar burning velocities of NH<sub>3</sub>/CH<sub>3</sub>OH mixtures. The findings revealed that both hydrogen incorporation methods substantially enhanced the combustion intensity of NH<sub>3</sub>/CH<sub>3</sub>OH mixtures, with direct addition showing superior performance. In the case of ammonia cracking, the effects of H<sub>2</sub> and N<sub>2</sub> on laminar burning velocity became more pronounced with increasing NH<sub>3</sub> cracking. Notably, the H<sub>2</sub>-promoting effect consistently outweighed the N<sub>2</sub>-inhibiting effect. For a fixed hydrogen percentage (whether from direct addition or ammonia cracking), NO emissions peaked at an equivalence ratio of 0.9 before declining. Furthermore, the relationship between hydrogen content and NO formation exhibited two distinct zones: 0–40 and 40–60% hydrogen. These findings were explained through a comprehensive analysis of radical species dynamics and reaction pathways.</p>\",\"PeriodicalId\":682,\"journal\":{\"name\":\"Kinetics and Catalysis\",\"volume\":\"66 3\",\"pages\":\"263 - 279\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2025-07-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Kinetics and Catalysis\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0023158425600117\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Kinetics and Catalysis","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0023158425600117","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Comparative Evaluation of Hydrogen Addition and Ammonia Cracking on the Combustion Characteristics of Ammonia/Methanol Blends
This investigation examined the combustion characteristics of ammonia/methanol blends under varying conditions of hydrogen enrichment, comparing direct hydrogen additon against ammonia cracking. The analysis encompassed key parameters including laminar burning velocity, adiabatic temperature, pool radical (H/O/OH/HO2) concentrations, ammonia and methanol reaction pathways, and NOx emissions. The research was conducted under premixed combustion conditions with air as the oxidizer, across a wide range of equivalence ratios (0.6 to 1.2 with a step of 0.1) and hydrogen fractions (from 0 to 60%). A modified one-dimensional model (Premix) integrated with Chemkin II and a detailed kinetic mechanism combining the chemistries of hydrogen, ammonia, methanol, syngas, and methane was employed. The neat laminar premixed flame consisted of 60% ammonia and 40% methanol at 1 atm pressure. Hydrogen was incrementally incorporated to this mixture, either through direct addition or via ammonia cracking, in 10 wt % steps, while maintaining constant equivalence ratios. Particular focus was given to the concentration-dependent effects of these blends on the formation of NO, NO2, and N2O. The modified fictitious diluent gas method was utilized to isolate thermal contributions from other effects in enhancement of laminar burning velocities of NH3/CH3OH mixtures. The findings revealed that both hydrogen incorporation methods substantially enhanced the combustion intensity of NH3/CH3OH mixtures, with direct addition showing superior performance. In the case of ammonia cracking, the effects of H2 and N2 on laminar burning velocity became more pronounced with increasing NH3 cracking. Notably, the H2-promoting effect consistently outweighed the N2-inhibiting effect. For a fixed hydrogen percentage (whether from direct addition or ammonia cracking), NO emissions peaked at an equivalence ratio of 0.9 before declining. Furthermore, the relationship between hydrogen content and NO formation exhibited two distinct zones: 0–40 and 40–60% hydrogen. These findings were explained through a comprehensive analysis of radical species dynamics and reaction pathways.
期刊介绍:
Kinetics and Catalysis Russian is a periodical that publishes theoretical and experimental works on homogeneous and heterogeneous kinetics and catalysis. Other topics include the mechanism and kinetics of noncatalytic processes in gaseous, liquid, and solid phases, quantum chemical calculations in kinetics and catalysis, methods of studying catalytic processes and catalysts, the chemistry of catalysts and adsorbent surfaces, the structure and physicochemical properties of catalysts, preparation and poisoning of catalysts, macrokinetics, and computer simulations in catalysis. The journal also publishes review articles on contemporary problems in kinetics and catalysis. The journal welcomes manuscripts from all countries in the English or Russian language.