Next Article in Journal
Slurry Preparation Effects on the Cemented Phosphogypsum Backfill through an Orthogonal Experiment
Next Article in Special Issue
Selective Separation of Scheelite from Calcite by Self-Assembly of H2SiO3 Polymer Using Al3+ in Pb-BHA Flotation
Previous Article in Journal
The Tocantinzinho Paleoproterozoic Porphyry-Style Gold Deposit, Tapajós Mineral Province (Brazil): Geology, Petrology and Fluid Inclusion Evidence for Ore-Forming Processes
Previous Article in Special Issue
A Mechanism for the Adsorption of 2-(Hexadecanoylamino)Acetic Acid by Smithsonite: Surface Spectroscopy and Microflotation Experiments
Article Menu
Issue 1 (January) cover image

Export Article

Open AccessArticle
Minerals 2019, 9(1), 30;

Adsorption Behavior of Methyl Laurate and Dodecane on the Sub-Bituminous Coal Surface: Molecular Dynamics Simulation and Experimental Study

School of Chemical and Environmental Engineering, China University of Mining and Technology (Beijing), Beijing 10083, China
Authors to whom correspondence should be addressed.
Received: 12 December 2018 / Revised: 2 January 2019 / Accepted: 8 January 2019 / Published: 9 January 2019
(This article belongs to the Special Issue Flotation Reagents)
Full-Text   |   PDF [5457 KB, uploaded 10 January 2019]   |  


Biodiesel was found to be a more effective collector on low-rank coal flotation than the common oily collectors (diesel and kerosene) in previous research. However, the micro-adsorption behavior of these collectors on the coal surface remains to be further explored. In the present work, the adsorption behavior of methyl laurate and dodecane, representing biodiesel and common oily collectors, was investigated using experimental and molecular dynamics (MD) simulation methods. The results of MD simulations showed that dodecane was difficult to diffuse on the surface of sub-bituminous coal and formed a spherical structure on the surface of sub-bituminous coal. Methyl laurate was adsorbed on the surface of coal via the head group (ester group), while the tail group (alkyl chain) was exposed to a liquid environment, forming a wider network structure on the coal surface. The above results, mainly attributed to methyl laurate, had a higher interaction with the sub-bituminous surface compared to dodecane. The self-diffusion coefficient results showed that the aggregate configurations of methyl laurate cause higher water mobility, which was more conducive to enhancing the hydrophobicity of the coal surface. The adhesion efficiency measurement and X-ray photoelectron spectrometer (XPS) analysis confirmed that methyl laurate could cover more oxygen-containing functional groups on the coal surface than dodecane, thus enhancing the hydrophobicity of coal. The results of simulations conformed to the experimental results. View Full-Text
Keywords: flotation; low-rank coal; adhesion efficiency; molecular dynamics; biodiesel flotation; low-rank coal; adhesion efficiency; molecular dynamics; biodiesel

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Share & Cite This Article

MDPI and ACS Style

Zhang, H.; Liu, W.; Xu, H.; Zhuo, Q.; Sun, X. Adsorption Behavior of Methyl Laurate and Dodecane on the Sub-Bituminous Coal Surface: Molecular Dynamics Simulation and Experimental Study. Minerals 2019, 9, 30.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Minerals EISSN 2075-163X Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top