LAPSE:2021.0199
Published Article
LAPSE:2021.0199
Effect of Hydration Layer on the Adsorption of Dodecane Collector on Low-Rank Coal: A Molecular Dynamics Simulation Study
Lingyun Liu, Erle Qiao, Liang Shen, Fanfei Min, Changguo Xue
April 16, 2021
The hydration layer has a significant effect on the adsorption behavior of reagents during the flotation process of low-rank coal. Understanding the effect of hydration layer on the adsorption of common collectors on low-rank coal is a prerequisite for proposing a new enhanced coal floatation method. In this study, a smooth low-rank coal surface model with a density of 1.2 g/cm3 was constructed and compared with the XPS results. Three different systems, coal-water, coal-collector, and coal-water-collector, were constructed. Molecular dynamics method was applied to study the adsorption behaviors of water and dodecane molecules. Simulation results revealed that a stable hydration layer with a thickness of about 5 Å was formed due to the strong attraction of coal surface. The negative value of interaction energy (IE) indicated that dodecane molecules could spontaneously adsorb on the coal surface. Dodecane molecules were successfully adsorbed on the coal surface when it was located inside the hydration layer. While the dodecane molecule was outside the hydration layer, it could not pass through the hydration layer on the surface of low-rank coal.
Keywords
Adsorption, hydration layer, low-rank coal, molecular dynamics simulation
Suggested Citation
Liu L, Qiao E, Shen L, Min F, Xue C. Effect of Hydration Layer on the Adsorption of Dodecane Collector on Low-Rank Coal: A Molecular Dynamics Simulation Study. (2021). LAPSE:2021.0199
Author Affiliations
Liu L: State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines, Huainan 232001, China; College of Material Science and Engineering, Anhui University of Science and Technology, Huainan 232001, China [ORCID]
Qiao E: State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines, Huainan 232001, China
Shen L: State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines, Huainan 232001, China; College of Material Science and Engineering, Anhui University of Science and Technology, Huainan 232001, China [ORCID]
Min F: State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines, Huainan 232001, China
Xue C: State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines, Huainan 232001, China
Journal Name
Processes
Volume
8
Issue
10
Article Number
E1207
Year
2020
Publication Date
2020-09-24
Published Version
ISSN
2227-9717
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Original Submission
Other Meta
PII: pr8101207, Publication Type: Journal Article
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LAPSE:2021.0199
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doi:10.3390/pr8101207
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Apr 16, 2021
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Apr 16, 2021
 
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Calvin Tsay
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