Effect of kaolin on the ash fusion characteristics of high alkali Zhundong coal: A quantum chemistry and experimental study

LI Rui-lian; DU Mei-fang; WU Xiao-jiang; XU Lu-xia; ZHANG Zhong-xiao

Volume 44 Issue 5

May 2016

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Article Navigation > Journal of Fuel Chemistry and Technology > 2016 > 44(5): 513-520

LI Rui-lian, DU Mei-fang, WU Xiao-jiang, XU Lu-xia, ZHANG Zhong-xiao. Effect of kaolin on the ash fusion characteristics of high alkali Zhundong coal: A quantum chemistry and experimental study[J]. Journal of Fuel Chemistry and Technology, 2016, 44(5): 513-520.

Citation:

LI Rui-lian, DU Mei-fang, WU Xiao-jiang, XU Lu-xia, ZHANG Zhong-xiao. Effect of kaolin on the ash fusion characteristics of high alkali Zhundong coal: A quantum chemistry and experimental study[J]. Journal of Fuel Chemistry and Technology, 2016, 44(5): 513-520.

Citation:

LI Rui-lian, DU Mei-fang, WU Xiao-jiang, XU Lu-xia, ZHANG Zhong-xiao. Effect of kaolin on the ash fusion characteristics of high alkali Zhundong coal: A quantum chemistry and experimental study[J]. Journal of Fuel Chemistry and Technology, 2016, 44(5): 513-520.

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Effect of kaolin on the ash fusion characteristics of high alkali Zhundong coal: A quantum chemistry and experimental study

1.
College of Science, University of Shanghai for Science and Technology, Shanghai 200093, China
2.
School of Mechanical Engineering, Shanghai Jiaotong University, Shanghai 200245, China

Funds:

the National Natural Science Foundation of China 51276212

Received Date: 2015-08-25
Rev Recd Date: 2016-01-19

Available Online: 2021-01-23

Publish Date: 2016-05-10

Abstract

Abstract

The effect of kaolin on the ash fusion characteristics of high alkali Xinjiang Zhundong coal was investigated by quantum chemistry calculation and experimental measurement methods. The results show that the ash fusion temperature is increased significantly by adding kaolinite; the ash fusion temperature increases rapidly at first with the increase of kaolinite content added in the Zhundong coal and then levels off when the fraction of kaolinite exceeds 10%. By adding kaolin in the Zhundong coal, the content of minerals with a low melting point (1 100-1 200 ℃), such as anorthite and anhydrite, is reduced, whereas mullite is found at 1 200-1 300 ℃. O (26), Si (6), O (22) and Si (8) atoms in the kaolinite molecular structure exhibit relatively high reactivity; Al-O bond, which is connected with O (26) and O (22), can be ruptured by reacting with Fe²⁺ or other metal ions in ash as an electrophilic reagent. The O^2- of alkali oxides in ash, such as Na₂O and CaO, can react as a nucleophilic reagent with Si (6) and Si (8) in kaolinite, breaking the oxygen bridge bond of Si-O-Si in kaolinite.
- Zhundong coal,
- kaolin,
- density functional theory,
- ash fusion characteristics,
- high alkali coal,
- reactivity

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References(31)

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