摘要
为了深入揭示煤/氨共热解协同效应机制,采用反应分子动力学(ReaxFF MD)方法研究了3000,3250和3500 K温度下煤热解、氨热解和煤/氨共热解特性,揭示煤/氨共热解协同作用机制。结果表明:煤显著降低了氨气热解的活化能,促进了氨气热解;煤热解生成自由基促进了NH_(3)+M→NH_(2)+H+M反应,进而促进了氨气分解生成H_(2);煤/氨共热解过程中氨气促进了煤热解挥发分的析出。氨气略微促进了煤热解焦油的生成,显著促进了煤热解气体产物H_(2)O,HCN和C_(2)H_(2)的生成,同时促进了煤热解有机气体产物的生成,但对CO的生成基本没有影响。本文研究结果表明煤/氨热解协同效应有利于煤/氨混燃稳定着火。
In order to further reveal the synergistic effect mechanism of coal/ammonia co-pyrolysis,the reactive molecular dynamics(ReaxFF MD)method was used to study the characteristics of coal pyrolysis,ammonia pyrolysis and coal/ammonia co-pyrolysis at 3000 K,3250 K and 3500 K,revealing the synergistic effect mechanism of coal/ammonia co-pyrolysis.The results indicate that coal significantly reduces the activation energy of ammonia pyrolysis and promotes ammonia pyrolysis.The generation of free radicals from coal pyrolysis promotes the reaction of NH_(3)+M changing into NH_(2)+H+M,thereby promoting the decomposition of ammonia to generate H_(2).During coal/ammonia co-pyrolysis,ammonia promotes the release of coal pyrolysis volatiles.Ammonia slightly promotes the generation of coal pyrolysis tar,and significantly promotes the generation of H_(2)O,HCN and C_(2)H_(2)of coal pyrolysis gas products.Meanwhile,ammonia promotes the generation of organic gas products from coal pyrolysis,but has little effect on the generation of CO.The research results of this paper indicate that the synergistic effect of coal/ammonia co-pyrolysis is beneficial for stable ignition of coal/ammonia co-combustion.
作者
张勇
崔立明
牛涛
洪迪昆
ZHANG Yong;CUI Liming;NIU Tao;HONG Dikun(China Energy Investment Corporation,Beijing,China,100011;China Shenhua Energy Co.,Ltd.,Beijing,China,100011;Yantai Longyuan Power Technology Co.,Ltd.,Yantai,China,264006;Department of Power Engineering,North China Electric Power University,Baoding,China,071003)
出处
《热能动力工程》
CAS
CSCD
北大核心
2024年第6期98-106,共9页
Journal of Engineering for Thermal Energy and Power
基金
中央高校基本科研业务费专项资金(2021MS080)。
关键词
煤
氨气
热解
反应分子动力学
coal
ammonia
pyrolysis
reactive molecular dynamics
