碱/碱土金属对准东煤灰熔渣微观结构特性的影响  

Effects of Alkali and Alkaline Earth Metals on Ash Slag Microstructure of Zhundong Coal

作　　者：罗茂芸 王长安[1] 赵林 聂影超 车得福[1] Luo Maoyun;Wang Chang’an;Zhao Lin;Nie Yingchao;Che Defu(State Key Laboratory of Multiphase Flow in Power Engineering,Xi'an Jiaotong University,Xi'an 710049,China)

机构地区：[1]西安交通大学动力工程多相流国家重点实验室,西安710049

出　　处：《燃烧科学与技术》2024年第4期347-358,共12页Journal of Combustion Science and Technology

基　　金：国家自然科学基金资助项目(52176129)。

摘　　要：采用分子动力学模拟方法对碱金属Na和碱土金属Mg对准东煤灰熔渣微观体系结构的影响开展了研究工作.结果表明,碱金属及碱土金属含量变化对体系中Al—O和Si—O键结合能影响不大,而当碱土金属含量增加,体系内桥氧含量降低,当碱土金属由22%增加至53%,桥氧含量减少了36.37%,体系网络结构的聚合程度随之降低.熔渣微观体系中存在三配位氧,且数量随碱金属和碱土金属含量的增大而减少;准东煤熔渣体系中Al、Si原子的扩散能力总体上随碱金属含量增加而降低,随碱土金属含量增加而提高.The effects of alkali metals Na and alkaline earth metals Mg on the molten ash slag microstructure of Zhundong coal were investigated by molecular dynamics simulation.The results show that the variations of alkali metals and alkaline earth metals contents has no significant effect on the bonding energy of Al—O and Si—O in the system.With the increase of alkaline earth metals content,the bridging oxygen content decreases.When the alka-line earth metals content increases from 22%to 53%,the bridging oxygen content decreases by 36.37%.Therefore,the degree of polymerization of the network structure in the system is decreased by the increase of alka-line earth metals content.It is found that tricluster oxygen is generated in the molten slag microsystem,whose amount decreases with the increasing content of alkali and alkaline earth metals.The diffusion ability of Al and Si atoms in the molten slag microsystem of Zhundong coal generally decreases with the increasing content of alkali metals but increases with the increasing content of alkaline earth metals.The research work in this paper has certain scientific guiding significance for promoting the utilization of liquid slag discharge of Zhundong coal.

关 键 词：准东煤 熔渣 碱金属 碱土金属 微观结构 

分 类 号：TK16[动力工程及工程热物理—热能工程]