镁质贫镍红土矿热分解理论计算与实验研究

doi:10.11896/cldb.18010015

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Abstract The high-magnesium low-nickel laterite was taken as raw material, the thermal decomposition experiment by calcination was carried out to study the phase transformation of dehydroxylation and re-crystallization during the thermal decomposition of laterite. Based on the experimental study on phase transformation of thermal decomposition of serpentine, the experimental process was simulated by theoretical calculation to clarify the phase transformation of magnesite laterite during heating process. The results indicated that Mg₃Si₂O₅(OH)₄ was the major ingredient of laterite, dehydroxylation reaction occurred when temperature exceeded 612 ℃, and amorphous silicate mineral generated. Subsequently, the recrystallization occurred when heating up to 817 ℃, generating peridot phase, enstatite, as well as a small amount of SiO₂. By means of density functional theory (DFT), the atomic bond length, state density and Millikan population of Mg₃Si₂O₅(OH)₄ were calculated, and its molecular dynamics calculation during thermal decomposition was simulated. The results showed that under the condition of kinetic simulation, the hydroxyl groups in Mg₃Si₂O₅(OH)₄ would be separated directly in the form of hydroxyl to form amorphous silicate products. With the rising temperature, the SiO₂ in amorphous silicate tended to dissociate and separate, participating in re-crystallization process and producing peridot phase and enstatite with better crystallinity. The calculation simulated results were well fitted with the experimental results.

Key words： laterite nickel ore thermal decomposition density functional theory dynamics simulation

Published: 28 April 2019

CLC number:

TF815

Fund:This work was financially supported by the National Natural Science Foundation of China(U1302274, 51304091)and the Analysis and Testing Foundation of Kunming University of Science and Technology(2017M20152102037).

About author:: Yukun Wang, received his master's degree in June 2018 from Kunming University of Science and Techno-logy in engineering, focusing on the research of comprehensive utilization of complex nonferrous metals resources.; Yonggang Wei, received his Ph.D. degree in metallurgical physical chemistry from Kunming University of Science and Technology (KUST) in 2008. He is currently a professor and Ph.D. supervisor in KUST. His research interests are new technology of low carbon smelting for nonferrous metals and comprehensive utilization of secondary resources.

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	WANG Yukun
	WEI Yonggang
	PENG Bo
	LI Bo
	ZHOU Shiwei

Cite this article:

WANG Yukun,WEI Yonggang,PENG Bo, et al. Thermal Decomposition of High-magnesium Low-nickel Laterite: Theoretical Calculation and Experimental Study[J]. Materials Reports, 2019, 33(8): 1406-1411.

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http://www.mater-rep.com/EN/10.11896/cldb.18010015 OR http://www.mater-rep.com/EN/Y2019/V33/I8/1406

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