锅炉结渣初始沉积层微观沉积机理研究

李明强; 杜梅芳; 乌晓江; 周磊; 张忠孝

锅炉结渣初始沉积层微观沉积机理研究

1.
上海理工大学理学院, 上海 200093;
2.
上海锅炉厂有限公司, 上海 200245;
3.
上海交通大学机械与动力工程学院, 上海 200240

基金项目: 国家自然科学基金(51276212); 上海市青年科技启明星计划(11QB1402100)。

详细信息

通讯作者:
张忠孝,E-mail:zhzhx222@163.com。

中图分类号: O641
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- 文章访问数: 1485
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- 被引次数: 0
出版历程
- 收稿日期: 2012-06-06
- 修回日期: 2012-08-28
- 刊出日期: 2013-02-28

Micromechanism of deposition for initial layer sediments of boiler

1.
College of Science, University of Shanghai for Science and Technology, Shanghai 200093, China;
2.
Shanghai Boiler Works Co. Ltd, Shanghai 200245, China;
3.
School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China

摘要

摘要: 选取矾土Al₂O₃和赤铁矿Fe₂O₃,对这两种矿物做弹性常数的微观分析、对比,X射线衍射分析表明,煤灰与初始沉积层中的矿物种类相同,但两者中矾土Al₂O₃和赤铁矿Fe₂O₃的含量相差很大。采用第一性原理(first-principles)的超软赝势平面波方法,对Al₂O₃和Fe₂O₃的电子结构、弹性常数进行了计算。结果表明,从两种物质的结构角度分析,Al₂O₃晶体中Al³⁺、O^2-的堆积排列相对于Fe₂O₃中Fe³⁺、O^2-要稀疏,这是它们性质不同的结构原因;对于两晶体在<100>方向和切向上的化学键, Fe-O键比Al-O键更容易变形或者断裂,从而导致Fe₂O₃极易沉积在清洁水冷壁上;对Fe₂O₃,切向面对其沉积起了关键性的作用。
- 弹性性质 /
- 电子结构 /
- 煤灰 /
- 第一性原理
Abstract: The analysis of XRD indicates that slag is similar with minerals in the initial sediments. However, the proportion of bauxite Al₂O₃, hematite Fe₂O₃ has a big difference. The electric structure, elastic constants of Al₂O₃ and Fe₂O₃ were calculated using the ultra soft pseudo-potential plane-wave method based on the first-principles. The results show that from the structure of material, the accumulation mode of Al³⁺ and O^2- in Al₂O₃ crystal is sparser than that of Fe³⁺ and O^2- in Fe₂O₃, which is the reason for their different properties. For their chemical bonds in the direction of <100> and in tangential, Fe-O is more easy to deformate and fracture than Al-O, leading to Fe₂O₃ deposition in the clean water wall. For Fe₂O₃, tangential surface plays a key role for its deposit.
- elastic propertie /
- electronic structure /
- coal ash /
- first-principles

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