Study on Adsorption Characteristics of Sulfonate Gemini Surfactant on Lignite Surface

In order to explore the adsorption characteristics of sulfonate gemini surfactants on the surface of lignite, the molecular dynamics simulation method was used, and A kind of sulfonic acid bis sodium salt (S2) and the sodium dodecyl sulfate (SDS) were selected. A binary model of surfactant/lignite adsorption system and a ternary model of water/surfactant/lignite system were constructed, and a series of properties such as adsorption configuration, interaction energy, order parameters, relative concentration distribution, number of hydrogen bonds, etc., were analyzed. The results showed that the adsorption strength of S2 on the surface of lignite was higher than that of SDS. The results indicated that the large-angle molecular chain in S2 tended to become smaller, the small-angle molecular chain tended to become larger, and the angle between the molecular chains and the Z axis tended to be concentrated, making the formed network structure denser during the adsorption process. The number of hydrogen bonds in the water-coal system was 42, and the number of hydrogen bonds in the system after S2 adsorption was 15, which was much lower than the 23 hydrogen bonds in the system after SDS adsorption, and S2 could better adsorb and wrap the oxygen-containing groups on the surface of the lignite. The comparative study of the adsorption characteristics of the two surfactants on the surface of lignite can help us better understand the influence of the surfactant structure on the adsorption strength. The research results have important theoretical and practical significance for developing new surfactants, and enriching and developing the basic theory of coal wettability.

Automated summary

In this study, the adsorption characteristics of sulfonate gemini surfactants on lignite surface were explored using molecular dynamics simulation. The results showed that S2 had higher adsorption strength and could better adsorb and wrap the oxygen-containing groups on the surface of lignite. This research provides important insights into the influence of surfactant structure on adsorption strength.