LAUSR

Abstract The effect of sodium lignosulfonate (SL) as additive on the preparation of low-rank coal-water slurry (LCWS) was studied by experiments and molecular dynamics (MD) simulations. The experimental results show that the appropriate amount of additives are beneficial to reduce the viscosity of LCWS and increase the slurry concentration. Adsorption isotherm studies showed that SL conforms to single-layer adsorption on the coal surface, and ∆ Gads0 was negative, proving that the reaction was spontaneous. Zeta potential measurements showed that SL increased the negative charge on coal. FTIR scanning and XPS wide-range scanning were performed on the coal before and after adsorption, and it was found that the content of oxygen functional groups on coal increased after adsorption. Simulation results show that when a large number of SL molecules exist in the solution, some SL molecules will bind to hydrophobic hydrocarbon groups on coal. The rest of the SL molecules, their hydrophobic alkyl tails, come into contact with each other and aggregate in solution. The agglomeration of SL molecules and the surface of coal with static electricity will also produce electrostatic interaction, which is conducive to the even dispersion of coal particles. The results of mean square displacement (MSD) and self-diffusion coefficient (D) show that the addition of SL reduces the diffusion rate of water molecules. Simulation results correspond to experimental results, indicating that MD simulation is accurate and feasible.