Study on the compounding optimization of surfactants and synergistic effects on the wettability of bituminous coal

Abstract

Abstract To improve the wettability of surfactants on bituminous coal and to explore its wettability and wettability mechanism on bituminous coal, taking the Sandaogou bituminous coal as an example, a single factor experiment was carried out first. Through contact angle and surface tension experiments, three surfactants with good wettability were selected from among the nine surfactants and mixed in equal proportions two by two to determine the optimal compounding method and compounding concentration. The experimental results show that the compounding of nonionic and anionic, nonionic and zwitterionic, anionic and zwitterionic surfactants can have synergistic effects and significantly improve the wettability of bituminous coal. Among them, the 0.5 wt% SDS + 0.5 wt% CAB-50 (R2) compound surfactant had the best wettability on bituminous coal, and the contact angle and surface tension were only 15.24° and 23.62 mN/m, respectively. The surface electrostatic potential values of each material molecule were calculated by Materials Studio software based on the quantum chemistry method, and correlation analysis was carried out with wettability. The results show that the surface electrostatic potentials of CDEA, SDS and CAB-50 were greater than those of water and bituminous coal, and the region of maximum negative electrostatic potential corresponded to oxygen atoms, which are easier to adsorb on bituminous coal and water molecules. Then, through molecular dynamics simulation, the interaction energy and the distribution of contributions along the Z-axis of the water/compound surfactant/bituminous coal system at equilibrium were investigated, and finally, a spray dust reduction test was carried out in the Sandaogou Coal Mine. The results showed that the 0.5 wt% SDS + 0.5 wt% CAB-50 compound solution can be used as a water molecule adsorption carrier, prompting more water molecules to be embedded into coal molecules, increasing the relative concentration of water molecules on the surface of bituminous coal, restricting the diffusion of water molecules, and greatly improving the wettability. After the addition of 0.5 wt% SDS + 0.5 wt% CAB-50 as a spray agent, the concentration of total dust at the driver's position decreased from 65.14 to 9.11 mg/m3, the concentration of exhaled dust decreased from 30.07 to 3.35 mg/m3, and the efficiency of total and exhaled dust reduction compared with that of pure water was 86.01% and 89.35%, respectively.

Keywords

• Surfactant
• Compounding
• Wettability
• Quantum chemistry
• Molecular dynamics simulation
• Spray dust suppression