Experimental and molecular dynamics simulation studies on the effect of composite surfactants on the wettability of anthracite coal

Limin Du , Jun Nian , Jinqi Fu , Xiaoyan Wang , Congcong Peng
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Abstract

In order to improve the wettability of coal bed water injection, the effects of several composite surfactants on the wettability of anthracite coal were investigated. Firstly, the wettability of different composite surfactants on anthracite was analysed by macroscopic experiments (surface tension and settling time) to determine the optimal concentration and optimal ratio of composite surfactants. Secondly, the effects of adsorption of different composite surfactants on the physicochemical properties of the coal dust surface were investigated by mesoscopic experiments (scanning electron microscopy, energy spectrometer analysis, infrared spectroscopy, X-ray electron spectroscopy and zeta potential), and the results showed that the content of hydrophilic functional groups (Si-O-Si, C-O-C, C-O and CO) on the surface of anthracite coal after treatment with the composite surfactant increased significantly, and the surface potential value decreased significantly in absolute value, agglomerated large coal particles would be formed on the coal surface, and the cracks between coal particles were favourable for the penetration of aqueous solution. Finally, the synergistic mechanism of different composite surfactants was analysed from the perspective of microscopic molecular simulation. The results showed that the composite surfactants enhanced the interaction energy of the coal/composite surfactant/water system, improved the relative concentration distribution of the system, and increased the diffusion coefficient of water molecules. The results of the study can provide valuable guidance for the development of new composite surfactants with wetting effect, which has important application value for mine dust control.
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复合表面活性剂对无烟煤润湿性影响的实验和分子动力学模拟研究
为了改善煤层注水的润湿性,研究了几种复合表面活性剂对无烟煤润湿性的影响。首先,通过宏观实验(表面张力和沉降时间)分析了不同复合表面活性剂对无烟煤的润湿性,以确定复合表面活性剂的最佳浓度和最佳配比。其次,通过中观实验(扫描电子显微镜、能谱仪分析、红外光谱、X 射线电子显微镜和 zeta 电位)研究了不同复合表面活性剂的吸附对煤粉表面理化性质的影响,结果表明,亲水官能团(Si-O-Si、C-O-C、C-O 和 CO)的含量显著增加,表面电位值的绝对值显著降低,煤表面会形成团聚的大煤粒,煤粒之间的裂缝有利于水溶液的渗透。最后,从微观分子模拟的角度分析了不同复合表面活性剂的协同作用机理。结果表明,复合表面活性剂增强了煤/复合表面活性剂/水体系的相互作用能,改善了体系的相对浓度分布,提高了水分子的扩散系数。研究结果可为开发具有润湿效果的新型复合表面活性剂提供有价值的指导,对矿井粉尘控制具有重要的应用价值。
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