煤灰中霞石与钠长石的光学性质对熔融特性影响  

Impact of optical properties of nepheline and albite on fusion characteristics in coal ash

作　　者：管嵘清[1] 杜梅芳[1] 李洁[1] 陈玉爽[2] 张忠孝[2] 

机构地区：[1]上海理工大学理学院,上海200093 [2]上海理工大学能源与动力工程学院,上海200093

出　　处：《上海理工大学学报》2010年第6期597-601,共5页Journal of University of Shanghai For Science and Technology

摘　　要：使用Castep化学软件包,基于密度泛函理论(DFT)的局域密度近似(LDA),对煤灰熔融中产生的低熔点生成物霞石与钠长石进行了系统的光学特性理论研究.经比较发现,霞石与钠长石中的阴离子群[AlO4]-与硼砂助熔剂中的Na+发生反应,且霞石与钠长石相互作用产生低温共熔现象,使煤灰熔点降低.对于高熔点煤,应选取其中具有活泼光学性质、氧化还原性强、金属性强的元素作为助溶剂,其反应物之间易发生低温熔融反应,如钠元素、钙元素和铁元素.The optical properties of nepheline and albite which are the products during the process of ash melting were theoretically studied by use of CASTEP code based upon the density functional theory（DFT） with local density approximation（LDA）.The calculated results reveal that anionic group-of nepheline and albite will react with Na＋ in borax fluxing agent.Moreover,the ash melting point is lowered by the low-temperature melting reaction between nepheline and albite.It＇s therefore concluded that the melting point of the high melting point coal can be lowered by choosing appropriate elements for fluxing agents,such as sodium,calcium and iron.These elements have active optical,strong metallic and oxidation-reducing properties,which can facilitate the low-temperature melting reaction among these reactants.

关 键 词：光学性质 熔融特性 硼砂助溶剂 密度泛函理论 

分 类 号：TK6[动力工程及工程热物理—生物能]