{"title":"Experimental and kinetic modeling study on auto-ignition of ammonia/n-heptane mixtures at intermediate temperatures","authors":"Yuan Fang , Wenjing Qu , Liyan Feng","doi":"10.1016/j.combustflame.2024.113488","DOIUrl":null,"url":null,"abstract":"<div><p>Ignition delay times (IDTs) were measured in a shock tube facility for NH<sub>3</sub>/n-heptane mixtures with NH<sub>3</sub> concentrations in the blending fuel ranging from 0.3 to 0.95 by molar fraction. The measurements were conducted under low pressure of 2 atm and intermediate temperatures of 1350–1500 K at equivalence ratios of 0.5, 1, and 2. With the increase of n-heptane content or equivalence ratio, there is a decrease in the IDTs of NH<sub>3</sub>/n-heptane mixtures at intermediate temperatures. A detailed mechanism was updated in this study based on the mechanism of Dong et al. Subsequently, the proposed mechanism was compared to existing blending mechanisms of ammonia and n-heptane in terms of laminar burning velocities (LBVs), IDTs, and species profiles reported in literature. The present model improved the predictions in reproducing the performed experimental measurements compared to previous mechanisms. Finally, rate of production (ROP), sensitivity analysis, and instantaneous and cumulative reaction path analysis were performed to interpret the experiment observations and deepen the understanding of auto-ignition kinetics of ammonia and n-heptane. The results indicate that intermediate species, such as C<sub>2</sub>H<sub>4</sub> and C<sub>3</sub>H<sub>6</sub>, characterized by long lifespans and high concentrations during n-heptane decomposition, play a crucial role at elevated temperatures, while the significance of n-heptane dehydrogenation by NH<sub>2</sub> diminishes with increasing temperature.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8000,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Combustion and Flame","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010218024001974","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
引用次数: 0
Abstract
Ignition delay times (IDTs) were measured in a shock tube facility for NH3/n-heptane mixtures with NH3 concentrations in the blending fuel ranging from 0.3 to 0.95 by molar fraction. The measurements were conducted under low pressure of 2 atm and intermediate temperatures of 1350–1500 K at equivalence ratios of 0.5, 1, and 2. With the increase of n-heptane content or equivalence ratio, there is a decrease in the IDTs of NH3/n-heptane mixtures at intermediate temperatures. A detailed mechanism was updated in this study based on the mechanism of Dong et al. Subsequently, the proposed mechanism was compared to existing blending mechanisms of ammonia and n-heptane in terms of laminar burning velocities (LBVs), IDTs, and species profiles reported in literature. The present model improved the predictions in reproducing the performed experimental measurements compared to previous mechanisms. Finally, rate of production (ROP), sensitivity analysis, and instantaneous and cumulative reaction path analysis were performed to interpret the experiment observations and deepen the understanding of auto-ignition kinetics of ammonia and n-heptane. The results indicate that intermediate species, such as C2H4 and C3H6, characterized by long lifespans and high concentrations during n-heptane decomposition, play a crucial role at elevated temperatures, while the significance of n-heptane dehydrogenation by NH2 diminishes with increasing temperature.
期刊介绍:
The mission of the journal is to publish high quality work from experimental, theoretical, and computational investigations on the fundamentals of combustion phenomena and closely allied matters. While submissions in all pertinent areas are welcomed, past and recent focus of the journal has been on:
Development and validation of reaction kinetics, reduction of reaction mechanisms and modeling of combustion systems, including:
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Particulate and aerosol formation and abatement;
Heterogeneous processes.
Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including:
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Ignition and extinction phenomena;
Flame propagation;
Flame structure;
Instabilities and swirl;
Flame spread;
Multi-phase reactants.
Advances in diagnostic and computational methods in combustion, including:
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Novel techniques;
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Internal combustion engines;
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Small- and large-scale stationary combustion and power generation;
Catalytic combustion;
Combustion synthesis;
Combustion under extreme conditions;
New concepts.