Synergetic adsorption of dodecane and dodecylamine on oxidized coal: Insights from molecular dynamics simulation

被引：34

作者：

Chen, Jun ^{[1
,2
]}

Chu, Xinxia ^{[2
]}

Ge, Wei ^{[2
]}

Sun, Yu ^{[2
]}

Ling, Yunjia ^{[2
]}

Min, Fanfei ^{[2
]}

机构：

[1] Anhui Univ Sci & Technol, State Key Lab Min Response & Disaster Prevent & C, Huainan 232001, Peoples R China

[2] Anhui Univ Sci & Technol, Dept Mat Sci & Engn, Huainan 232001, Peoples R China

来源：

APPLIED SURFACE SCIENCE | 2022年 / 592卷

基金：

中国博士后科学基金; 中国国家自然科学基金;

关键词：

Oxidized coal; Dodecane; Dodecylamine; Synergetic adsorption; Molecular dynamics; LOW-RANK-COAL; SURFACE-PROPERTIES; FLOTATION; COLLECTOR; OXIDATION; FORCE; PH;

D O I：

10.1016/j.apsusc.2022.153103

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

In order to explore the synergetic adsorption mechanism of nonpolar hydrocarbon oil and cationic amine on OC (oxidized coal) surface, the MD (Molecular Dynamics) simulations were used to simulate the wettability of OC surface and the dynamic characteristics of DDC (Dodecane)/DDA (dodecylamine) adsorption on OC/water interface under different complex conditions. Water molecules in a nano water droplet have strong hydrogen bond adsorption with the OC surface, which is easy to be wetting and spread along the surface to occur strong hydration of OC surface. DDC can adsorb on OC surface well, while DDA cations can not. When DDC and DDA are co-adsorbed on OC surface, can have a synergistic adsorption effect. The synergistic adsorption mechanism is mainly that, after DDC adsorbed on OC surface, its carbon chain will adsorb partial DDA cations through dispersion interaction, thus promoting the effective adsorption of DDA cations on OC surface. Synergistic adsorption of DDC and DDA can not only improve the surface hydrophobicity of OC, but also reduce the surface negative electricity through the adsorption of DDA cations, to achieve the effect of effectively promoting the agglomeration of particles, which is very beneficial to the efficient separation and settlement of oxidized coal.

引用

页数：9

共 40 条

[1]

[Anonymous], 1984, Magnetic Resonance, DOI [10.1007/978-94-009-6378-8_12, DOI 10.1007/978-94-009-6378-812]

[2]

Effect of Nanobubbles on the Flotation Performance of Oxidized Coal [J].