The hydrophobic aggregation of fine particles in high muddied coal slurry water in the presence of four quaternary ammonium salts of 1231(dodecyl trimethyl ammonium chloride), 1431(tetradecyl trimethyl ammonium chloride), 1631(cetyl trimethyl ammonium chloride) and 1831(octadecyl trimethyl ammonium chloride) was investigated through the measurement of contact angles, zeta potentials, aggregation observation, adsorption and sedimentation. The results show that quaternary ammonium salts can enhance the hydrophobicity and reduce the electronegativity of particle surface, and thus induce a strong hydrophobic aggregation of slurry fine particles which promotes the settlement of coal slurry water. The adsorption of quaternary ammonium salts on slurry particles increases with the increase of alkyl chain length and reagent dosage, and will reach equilibrium when the dosage reaches a certain value. Weak alkaline conditions also can promote quaternary ammonium salts to be adsorbed on the coal slurry fine particles. In addition, reasonable energy input and a chemical environment of weak alkaline solution are conducive to hydrophobic aggregation settlement of high muddied coal slurry water with quaternary ammonium salts. The main mechanism of hydrophobic aggregation of coal slurry particles with quaternary ammonium salts is ‘adsorption charge neutralization’ and hydrophobic interaction.

Adsorption of the single water molecule on the α-quartz (001) surface with and without the presence of Na⁺, Mg²⁺ and Ca²⁺ was analyzed utilizing the density functional theory method. Our results demonstrate that the optimal adsorption configuration of the single water molecule on the α-quartz (001) surface lies in the bridge being configured with two formed hydrogen bonds. These were Os–Hw and Hs–Ow (s and w represent, respectively, surface and water molecules), while the main hydrogen bond is Hw–Os. Furthermore, the corresponding adsorption energy was ∼−72.60 kJ/mol. In this study, the presence of metal ions helped to deflect the spatial position of the water molecule, and the distance between Ow and Hs was altered significantly. Furthermore, the charge transfer between the interacting atoms increased in the presence of metal ions, wherein the effects of Ca²⁺ and Na⁺ proved to be significant compared to Mg²⁺. Finally, it emerged that metal ions interacted with the water molecule and were subsequently adsorbed on the α-quartz (001) surface. This occurred due to the electrostatic attraction, consequently impacting the hydration characteristics of the quartz surface.