Study of the NO formation characteristics and ammonia-N/coal-N transformation mechanism of ammonia-coal co-combustion in O2/CO2 atmosphere
IF 5.8
2区 工程技术
Q2 ENERGY & FUELS
引用次数: 0
Abstract
Exploring the characteristics of NO formation during ammonia-coal co-combustion is crucial for achieving clean combustion. O2/CO2 atmosphere is an effective way to achieve low nitrogen combustion of pulverized coal, but the effect of O2/CO2 atmosphere on NO formation characteristics of ammonia-coal co-firing is still unclear. This work used high-temperature furnace experiments to investigate the conversion characteristics of fuel-N in ammonia-coal co-combustion under CO2 atmosphere and conducted quantum chemistry calculations to investigate the molecular pathways of fuel-N oxidation. The experimental results showed that the higher temperature and oxygen concentration results in earlier occurrence of the peak and completion of NO in ammonia-coal co-combustion. Compared to N2 atmosphere, CO2 has an inhibitory effect on NO generation in ammonia-coal co-firing and the degree of CO2 inhibition on the formation of NO per unit mass gradually decreases with increasing the temperature. The theoretical calculation results showed that CO2 reduces the energy barrier of the rate determining step for ammonia-N oxidation by about 133.81 kJ/mol, promoting the conversion of ammonia-N to nitrogen oxides. However, CO2 also has a certain degree of inhibitory effect on the coal-N oxidation, increasing the energy barrier of the rate determining step for NO generation from coal-N oxidation. The kinetic results showed that when the temperature is higher than 1673 K, CO2 has a more obvious promotion effect on ammonia-N oxidation and inhibition effect on coal-N oxidation, but a more significant inhibitory effect on coal-N oxidation, so that the CO2 atmosphere can inhibit the generation of nitrogen-containing products in ammonia-coal co-combustion to a certain extent.
氨-煤在 O2/CO2 大气中协同燃烧的 NO 形成特征及氨-N/煤-N 转化机理研究
探索氨煤共燃过程中 NO 的形成特征对于实现清洁燃烧至关重要。O2/CO2气氛是实现煤粉低氮燃烧的有效途径，但O2/CO2气氛对氨煤共烧NO形成特性的影响尚不清楚。本研究利用高温炉实验研究了 CO2 大气下氨煤共燃中燃料-N 的转化特性，并通过量子化学计算研究了燃料-N 氧化的分子途径。实验结果表明，温度和氧气浓度越高，氨-煤燃烧中 NO 的峰值出现和完成时间越早。与 N2 气氛相比，CO2 对氨煤共烧中 NO 的生成有抑制作用，且 CO2 对单位质量 NO 生成的抑制程度随温度升高而逐渐减小。理论计算结果表明，CO2 可使氨-N 氧化速率决定步骤的能量势垒降低约 133.81 kJ/mol，促进氨-N 向氮氧化物的转化。然而，CO2 对煤-N 氧化也有一定程度的抑制作用，增加了煤-N 氧化生成 NO 的速率决定步骤的能量势垒。动力学结果表明，当温度高于 1673 K 时，CO2 对氨-N 氧化有较明显的促进作用，对煤-N 氧化有抑制作用，但对煤-N 氧化有较明显的抑制作用，因此 CO2 大气能在一定程度上抑制氨-煤共燃中含氮产物的生成。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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来源期刊
Combustion and Flame
工程技术-工程：化工
CiteScore
9.50
自引率
20.50%
发文量
631
审稿时长
3.8 months
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:
Conventional, alternative and surrogate fuels;
Pollutants;
Particulate and aerosol formation and abatement;
Heterogeneous processes.
Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including:
Premixed and non-premixed flames;
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:
Measurement and simulation of scalar and vector properties;
Novel techniques;
State-of-the art applications.
Fundamental investigations of combustion technologies and systems, including:
Internal combustion engines;
Gas turbines;
Small- and large-scale stationary combustion and power generation;
Catalytic combustion;
Combustion synthesis;
Combustion under extreme conditions;
New concepts.
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