摘要
焦炭氮转化及焦炭异相还原NO是燃煤锅炉中含氮组分转化的关键环节,而焦炭中的矿物质对二者有显著催化作用。本文总结实验和量子化学计算相关研究,总结煤种、矿物质分散度、流动性对矿物质催化焦炭氮转化,以及焦炭异相还原NO的影响。综合已有研究,Ca存在形式及分散度都影响HCN和NH_(3)的分布,对NO_(x)生成表现出促进和抑制双重作用。Fe在焦炭异相还原NO的反应中表现出优异的催化性能。关于量化计算,需要探索能够采用更复杂焦炭分子模型并引入元素化合物进行计算的可行方法,系统探究各矿物质之间协同作用,完善矿物质催化作用机理。
Char nitrogen conversion and NO heterogeneous reduction by char is the key of nitrogen-containing component conversion in furnace.The minerals in char have a significant catalytic effect on the heterogeneous reduction reaction between char and NO.This paper summarizes the experiment and quantum chemical calculation researches focusing on influence mechanism of char minerals on fuel nitrogen conversion and NO heterogeneous reduction.It is found that the dispersion of minerals plays an important role in the distribution of char nitrogen.The mineral fluidity has a significant effect on the heterogeneous reduction of NO catalyzed by char mineral.Studies show that both the form and dispersion of Ca affect the distribution of HCN and NH_(3).Ca exhibits both promoting and inhibiting effects on NO_(x) with different atmospheres.Fe showed excellent catalytic performance in char heterogeneous reduction of NO.Regarding to the quantum chemical calculations,it is necessary to explore a feasible method to model more complex molecular structure of char and introduce mineral element compounds to the char model,thereby exploring the synergistic effects among minerals systematically and improving the mechanism of mineral catalysis.
作者
王菁
姚晓飞
孟江涛
郑靖凡
杨凤玲
程芳琴
WANG Jing;YAO Xiao-fei;MENG Jiang-tao;ZHENG Jing-fan;YANG Feng-ling;CHENG Fang-qin(Shanxi Collaborative Innovation Center of High Value-added Utilization of Coal-related Wastes,State Environmental Protection Key Laboratory of Efficient Utilization Technology of Coal Waste Resources,Taiyuan 030006,China)
出处
《节能技术》
CAS
2022年第4期327-335,344,共10页
Energy Conservation Technology
基金
国家自然科学基金委青年基金(2210080893)
国家重点研发计划子课题(2020YFB0606203)
山西省高等学校科技创新项目(2020L003)项目资助。
关键词
焦炭矿物质
焦炭氮转化
NO异相还原
煤种
分散度
流动性
量子化学计算
char mineral
char nitrogen conversion
heterogeneous reduction of NO
coal type
dispersion
fluidity
quantum chemistry
