摘要
生物质作为一种具有丰富储量的可再生碳中和能源,是未来能源供应的良好选择。其与NH_(3)的耦合燃烧能有效减少CO_(2)排放,是实现减排的主要途径。本文通过反应力场分子动力学(ReaxFF-MD)模拟研究了秸秆焦/NH3共同燃烧的燃烧特性并阐明了元素氮的转化机理。研究了温度、氧气当量比(Ω)和NH3掺混比(CR)对产物的影响。结果表明:HNO_(x)·对H_(2)O和NO_(x)的生成起决定性作用。大部分的自由基如HNO·、HNO_(2)·和CH_(2)O·等均会与OH·发生反应生成H_(2)O。其中HNO·+OH·→H_(2)O+NO的反应频率最高,为35次。该反应也是生成NO_(2)的主要反应。在CO_(2)的生成反应中CNO_(3)·→CO_(2)+NO反应频率最高,为23次。这项研究可以为后续生物质发电的污染物排放及其利用提供参考。
Biomass,as a renewable carbon-neutral energy source with abundant reserves,is a good choice for future energy supply.Its coupled combustion with NH_(3) can effectively reduce CO_(2) emissions,which is the main way to realize emission reduction.In this paper,the combustion characteristics of the co-combustion of corn straw char/NH3 were investigated and the conversion mechanism of elemental N was elucidated by reactive force field molecular dynamics(ReaxFF-MD)simulations.The effects of temperature,oxygen equivalence ratio(Ω)and NH3 mixing ratio(CR)on the products were investigated.The results showed that HNO played a decisive role in the production of H_(2)O and NO_(x).Most of the free radicals such as HNO.,HNO_(2)-and CH_(2)O.react with OH.to produce H_(2)O.the highest frequency of the reaction is HNO.+OH.→H_(2)O+NO_(x) with 35 times.This reaction is also the main reaction to generate NO_(2).Among the CO_(2) generation reactions CNO_(3):→CO_(2)+NO had the highest frequency of 23 reactions.This study provides a reference for subsequent pollutant emissions from biomass power generation and its utilization.
作者
王鑫雨
马滕
李卓玲
刘洋
余波
陈玉民
翟明
周怀春
WANG Xinyu;MA Teng;LI Zhuoling;LIU Yang;YU Bo;CHEN Yumin;ZHAI Ming;ZHOU Huaichun(School of Low-Carbon Energy and Power Engineering,China University of Mining and Technology,Xuzhou 221116,China;Jiangsu Smart Energy Technology and Equipment Engineering Research Center,Xuzhou 221116,China;School of Energy Science and Engineering,Harbin Institute of Technology,Harbin 150001,China)
出处
《工程热物理学报》
北大核心
2025年第6期1835-1843,共9页
Journal of Engineering Thermophysics
基金
国家重点研发计划(No.2023YFB4102800)
浙江省科技计划项目(No.2023C03156)
江苏省研究生科研实践创新计划项目(No.SJCX24_1434)
中国矿业大学研究生创新项目(No.2024WLJCRCZL209)。
关键词
秸秆焦
氨气掺混燃烧
分子模拟
REAXFF
转化机理
corn straw char
ammonia co-firing
molecular simulation
ReaxFF
transformation mechanism
