To improve the efficiency
of coal dust removal by water spray technology,
the addition of wetting agents in water becomes the main dust removal
method. The influence of sodium dodecyl sulfate (SDS), sodium dodecyl
sulfonate (SDDS), and sodium dodecylbenzene sulfonate (SDBS) on the
wettability of coal dust is studied by experimental and molecular
dynamics (MD) simulation. Measurement of the contact angle and surface
tension was accomplished via relevant experiments for the three wetting
agents, and their adhesion work, spreading work, and wetting work
were also calculated. A preferred experimental method of conventional
coal dust wetting agent is optimized. The wettability of the three
wetting agents upon bituminous coal follows the trend: SDS > SDDS
> SDBS. The simulation was performed based on MD to derive the
intermolecular
interaction energy, diffusion coefficient of water molecules, and
water molecule count in the vicinity of the hydrophilic groups of
the wetting agents. The wetting mechanism and performance of the wetting
agent solution on bituminous coal were identified. The simulation
results of the wetting performance of the wetting agents are consistent
with the experimental results, which verifies the reliability of the
simulation method. An easy, time-saving, and labor-saving MD simulation
method is proposed, which provides a novel insight for choosing various
wetting agents of coal dust.