煤尘污染是一个亟需解决的工程难题，传统的喷雾技术已难以满足现代工业化要求。为解决煤尘污染问题，以喷雾技术为基础，提高水喷雾添加剂对煤尘的润湿性能，选取快速渗透剂T（快T）、癸基葡糖苷（APG）、曲拉通100（TX−100）和椰油酰胺丙基二甲基氧化胺（CAO）4种表面活性剂，通过润湿时间对其单一润湿特性和复合润湿特性进行研究；采用XPS分析复合表面活性剂作用煤尘前后元素的变化；利用分子动力学模拟水/煤、水/表面活性剂/煤的相互作用，分析表面活性剂与煤之间的相对质量浓度、均方位移和相互作用能。结果表明：润湿时间随着表面活性剂质量分数的增大而降低，4种表面活性剂溶液中煤尘的润湿时间均在质量分数为0.2%后趋于稳定；TX−100与APG复配对煤尘的润湿时间有拮抗作用；快T和APG或TX−100复配均有协同作用，快T与APG在质量比为2︰2时协同效果最强，相比于同质量分数的快T和APG单体溶液的润湿时间分别降低了54.82%和50.54%；XPS谱图中存在明显的C峰和O峰，C—O官能团对煤尘润湿性的影响最为显著；复合表面活性剂的水峰与煤峰的重叠面积较大，表面活性剂促进了水分子在煤尘表面的吸附作用，使更多的水分子向煤表面移动；水/煤、水/单一表面活性剂和水/复配表面活性剂的相互作用能均为负，其相互作用能的大小为水/复合表面活性剂/煤<水/单一表面活性/煤<水/煤系统；复配表面活性剂比单一表面活性剂相比具有更好的润湿性，从宏观上表现为润湿时间的缩短，微观上表现为煤与水的负相互作用能减少。研究结果可为表面活性剂在煤尘润湿的选择和设计提供一定的参考。

Coal dust pollution is an urgent engineering problem that needs to be solved, and traditional spray technology has made it difficult to meet modern industrialization requirements. To solve the problem of coal dust pollution, based on spray technology used to improve the wetting performance of water spray additives on coal dust, four surfactants, namely, Fast Penetrant T (Fast T), Decyl Glucoside (APG), Trillatone 100 (TX−100) and Cocoamidopropyldimethylamine Oxide (CAO), were selected, and the single and composite wetting characteristics were investigated throughout the wetting time. XPS was used to analyze the changes in elemental content before and after the action; molecular dynamics were used to simulate the changes in water/coal, water/surfactant and composite surfactant before and after the action. XPS was used to analyze the changes in elemental composition before and after the action of the composite surfactants; molecular dynamics was used to simulate the interactions between water/coal and water/surfactant/coal and to analyze the relative concentrations, mean square displacements, and interaction energies between the surfactants and coal. The experimental results showed that the wetting time decreased with increasing surfactant concentration, and the wetting time of coal dust in the four surfactant solutions tended to stabilize above a mass concentration of 0.2%. The combination of TX−100 and CAO had an antagonistic effect on the wetting time of coal dust; the combination of Fast T and APG or TX−100 had a synergistic effect, and the synergistic effect was strongest when the mass ratio of Fast T to APG was 2∶2. Compared with those of the same concentration of Fast T and APG monomer solution, the wetting time was 54.82% and 50.54% lower, respectively; there were obvious C and O peaks in the XPS spectrum; additionally, the effect of the C—O functional group on the wettability of coal dust was the most significant. Similarly, the overlap area between the water peaks of the composite surfactant and the coal peaks was greater, and the surfactant promoted the adsorption of water molecules on the surface of the coal dust so that more water molecules moved toward the coal surface. Similarly, the water/coal surface of the compound had a larger overlap area, and the water/coal surface of the compound had a larger overlap area. On the coal surface, the interaction energies of water/coal, water/single surfactant, and water/complex surfactant are all negative, and the magnitude of their interaction energies follows the order water/complex surfactant coal < water/single surfactant/coal < water/coal system. The compounded surfactant has better wetting properties than the single surfactant, which is manifested by the shortening of the wetting time at the macroscopic level and the increase in the negative interaction energy between coal and water at the microscopic level. The results of the study can provide some reference for the selection and design of surfactants for coal dust wetting.