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Open AccessArticle

Adsorption Behaviors of Straight-Chain Alkanes on a Molybdenite [001]/[100] Surface: A Molecular Dynamics Study

by 1,*, 1, 1,2, 1,*, 1 and 3
1
School of Resources Engineering, Xi’an University of Architecture and Technology, Xi’an 710055, China
2
State Environmental Protection Key Laboratory of Mineral Metallurgical Resources Utilization and Pollution Control, Wuhan University of Science and Technology, Wuhan 430081, China
3
College of Resource and Civil Engineering, Northeastern University, Shenyang 110819, China
*
Authors to whom correspondence should be addressed.
Academic Editor: William Skinner
Minerals 2021, 11(5), 489; https://doi.org/10.3390/min11050489
Received: 20 March 2021 / Revised: 1 May 2021 / Accepted: 2 May 2021 / Published: 4 May 2021
(This article belongs to the Special Issue Flotation Chemistry, Volume II)
Straight-chain alkanes (SCA) as collectors can effectively enhance the floatability of molybdenite. In a previous study, SCA were found to have an excellent adsorption effect on the molybdenite [001] surface (MS001), but they exhibited no adsorption behavior on the molybdenite [100] surface (MS100). However, other studies have shown that SCA could adsorb on MS100. In this paper, the underlying cause of this contradictory conclusion was identified by molecular dynamics simulation. The results show that SCA could adsorb both MS001 and MS100. However, at low SCA dosages, SCA have a strong interaction with MS001 but desorb quickly on MS100. This leads to the selective adsorption of SCA on MS001. As SCA’s concentration gradually increases, the selective adsorption behavior of SCA on MS001 will be disrupted. Excessive SCA concentration will lead to its adsorption at MS100. View Full-Text
Keywords: molecular dynamics; adsorption behaviors; molybdenite surface; straight-chain alkanes molecular dynamics; adsorption behaviors; molybdenite surface; straight-chain alkanes
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MDPI and ACS Style

Wan, H.; Yi, P.; Qu, J.; Bu, X.; Yang, W.; Li, H. Adsorption Behaviors of Straight-Chain Alkanes on a Molybdenite [001]/[100] Surface: A Molecular Dynamics Study. Minerals 2021, 11, 489. https://doi.org/10.3390/min11050489

AMA Style

Wan H, Yi P, Qu J, Bu X, Yang W, Li H. Adsorption Behaviors of Straight-Chain Alkanes on a Molybdenite [001]/[100] Surface: A Molecular Dynamics Study. Minerals. 2021; 11(5):489. https://doi.org/10.3390/min11050489

Chicago/Turabian Style

Wan, He; Yi, Peng; Qu, Juanping; Bu, Xianzhong; Yang, Wei; Li, Hui. 2021. "Adsorption Behaviors of Straight-Chain Alkanes on a Molybdenite [001]/[100] Surface: A Molecular Dynamics Study" Minerals 11, no. 5: 489. https://doi.org/10.3390/min11050489

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