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基于密度泛函理论计算的混煤灰熔融特性研究

Research on the Ash Melting Characteristics of Blended Coal Based on DFT Calculations.

作者信息

Chai Yifan, Fan Yingjie, Wu Jiayi, Zhang Yunhao, Luo Guoping, Wang Yici

机构信息

School of Materials and Metallurgy, Inner Mongolia University of Science and Technology, Baotou, Inner Mongolia Autonomous Region 014010, China.

出版信息

ACS Omega. 2021 Aug 18;6(34):22039-22046. doi: 10.1021/acsomega.1c02621. eCollection 2021 Aug 31.

Abstract

Low-ash-melting-point bituminous coal and high-ash-melting-point anthracite coal are mixed and burned in different proportions. The ash melting characteristics of blended coal were determined experimentally. At the same time, the ash samples of bituminous coal, anthracite, and blended coal were analyzed by X-ray diffraction (XRD), and the ash melting characteristic improvement mechanism of blended coal was analyzed by quantum chemical calculations. The results show that when high-ash-melting-point anthracite is added, the ash melting characteristics of blended coal are improved, and the deformation temperature, softening temperature, hemispheric temperature, and flow temperature of the blended coal are significantly increased. The melting point of blended coal ash with a bituminous coal ratio of less than 50% can meet the requirements of blast furnace injection. The reason for the improved melting characteristics of the blended coal ash is that mullite in anthracite ash reacts with gehlenite in bituminous coal ash during the combustion process to produce anorthite.

摘要

将低灰熔点烟煤和高灰熔点无烟煤按不同比例混合燃烧,通过实验测定了混合煤灰的熔融特性。同时,采用X射线衍射(XRD)对烟煤、无烟煤及混合煤的灰样进行分析,并通过量子化学计算分析了混合煤灰熔融特性改善机理。结果表明,添加高灰熔点无烟煤可改善混合煤灰的熔融特性,混合煤的变形温度、软化温度、半球温度和流动温度显著提高。烟煤比例小于50%的混合煤灰熔点可满足高炉喷吹要求。混合煤灰熔融特性改善的原因是无烟煤灰中的莫来石与烟煤灰中的钙铝黄长石在燃烧过程中反应生成钙长石。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d4e8/8412943/496a72fc5c9a/ao1c02621_0002.jpg

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