配煤对煤灰熔融特性影响的实验与量化研究  

Quantum chemistry calculation and experimental study on coal ash fusion characteristics of blend coal

作　　者：陈玉爽[1] 张忠孝[1] 乌晓江[1] 李洁[1] 管嵘清[1] 闫博[1] 

机构地区：[1]上海理工大学动力学院,上海200093

出　　处：《燃料化学学报》2009年第5期521-526,共6页Journal of Fuel Chemistry and Technology

基　　金：国家高技术研究发展计划(863计划;2007AA05Z340)

摘　　要：采用量子化学计算方法和实验研究,从微观分子结构和宏观煤灰熔融特性两个层面上,研究了高温下高、低灰熔点煤配煤降低高灰熔点煤煤灰熔融温度的熔融特性和熔融机理。实验和计算结果表明,配煤时,Ca2+作为电子受体进入煤灰中莫来石的晶格,使晶格发生重组,易生成熔点较低的钙长石。莫来石的分子结构较钙长石的要稳定得多,Ca2+进入莫来石晶格后位于由[SiO4]4-和[AlO4]5-两种四面体形成的网络之间,与O配位的Ca原子削弱了莫来石中的Si—O键,使得配煤后的混煤灰熔融温度降低。量子化学计算得到的灰中矿物质分子结构及相应的物理化学特性,如化学状态、表面化学活性及成键特性等,能够很好的从灰中矿物质分子微观结构特性解释高温下煤灰熔融过程中耐熔矿物与助熔矿物间的反应机理。The coal ash fusion characteristics of high fusibility coal blending with two low fusibility coals respectively were studied. The data were analyzed using quantum chemistry methods and experiment from micro- and macro-molecular structures. The results show that Ca^2＋, as the electron acceptor, easily enters into the lattice of mullite, causing a transition from mullite to anorthite. Mullite is much more stable than anorthite. Ca^2＋ of anorthite occupies the larger cavities with the [SiO4]^4- tetrahedral or [AlO4]^5- tetrahedral tings respectively. Ca atom linked O weakens Si-O bond, leading ash fusion point to reduce effectively. The chemistry, reactivity sites and bond-formation characteristics of minerals can well explain the reaction mechanism refractory minerals and flux ash melting process at high temperature. The results of experiment are agreed with the theory analysis by using ternary phase diagrams and quantitative calculation.

关 键 词：配煤 灰熔融性温度 分子微观结构 量化计算 

分 类 号：TK6[动力工程及工程热物理—生物能]