煤氨混燃煤中含氧官能团对氨燃烧NO生成的影响  

Effect of O-containing Groups in Coal on NO Generation of NH_(3) Combustion During Coal/NH_(3) Co-combustion

作　　者：张文振 李驰 崔立明 周末 付静 洪迪昆 ZHANG Wenzhen;LI Chi;CUI Liming;ZHOU Mo;FU Jing;HONG Dikun(Yantai Longyuan Power Technology Co.Ltd.,Yantai 264006,Shandong Province,China;China Shenhua Energy Co.,Ltd.,Dongcheng District,Beijing 100011,China;Department of Power Engineering,North China Electric Power University,Baoding 071003,Hebei Province,China)

机构地区：[1]烟台龙源电力技术股份有限公司,山东省烟台市264006 [2]中国神华能源股份有限公司,北京市东城区100011 [3]华北电力大学动力工程系,河北省保定市071003

出　　处：《中国电机工程学报》2025年第5期1801-1807,I0015,共8页PROCEEDINGS OF THE CHINESE SOCIETY FOR ELECTRICAL ENGINEERING

基　　金：中央高校基本科研业务费专项项目(2024MS147)。

摘　　要：为减少燃煤电站CO_(2)排放,实现“碳达峰、碳中和”目标,煤和氨气掺混燃烧受到广泛关注。该文通过反应分子动力学模拟研究不同温度和不同氧气当量比条件下,煤氨混燃过程中煤中含氧官能团对氨气燃烧NO生成的影响。首先,研究不同温度下不同体系的NO排放特性和重要自由基OH以及NCO的均值分布。然后,研究不同氧气当量比下不同体系的NO和未燃尽N排放特性。最后,计算不同体系中NH3燃烧的活化能。结果表明,煤中含氧官能团促进氨气氧化生成NO。羟基和羧基的促进作用主要体现在OH自由基上,羰基的促进作用主要体现在NCO上。NO生成量随着温度的升高而增加。降低氧气当量比可减少NO生成量,但会显著增加未燃尽N的排放。煤中含氧官能团可以降低NH3燃烧活化能,从而促进NH3氧化生成NO。该文从微观分子层面揭示了煤氨混燃过程中煤中羟基、羧基和羰基官能团对氨燃烧NO生成的影响机理,可为燃煤锅炉掺氨燃烧煤种选择提供一定理论依据。To reduce CO_(2) emissions from coal-fired power plants and achieve the goal of“carbon peaking and carbon neutrality”,coal and ammonia co-combustion has received widespread attention.In this work,the effect of oxygen containing functional groups in coal on NO emissions during coal/ammonia co-combustion under different temperatures and oxygen equivalence ratios are studied using reactive molecular dynamics simulation.First,the NO emissions of different systems at different temperatures and the mean values of important free radicals OH and NCO are studied.Then,the NO emissions and unburned N emissions of different systems under different oxygen equivalence ratios are studied.Finally,the activation energy of NH3 combustion in different systems is calculated.The results indicate that O-containing functional groups in coal can promote the oxidation of ammonia to generate NO.The promoting effect of hydroxyl and carboxyl groups is mainly reflected on OH radicals,while the promoting effect of carbonyl groups is mainly reflected on NCO.The generation of NO increases with the increase of temperature.Reducing the oxygen equivalence ratio will significantly reduce the emission of NO and increase the emissions of unburned N.The O-containing functional groups in coal can reduce the activation energy of NH3 combustion,thereby promoting the oxidation of NH3 to NO.This study reveals the mechanism of the influence of hydroxyl,carboxyl and carbonyl functional groups in coal on NO generation during coal/ammonia co-combustion in the micro molecular level,providing a theoretical basis for the selection of coal type for coal/ammonia co-combustion in coal-fired boilers.

关 键 词：煤 氨气 掺混燃烧 含氧官能团 反应分子动力学 

分 类 号：TK16[动力工程及工程热物理—热能工程]