How to realize efficient treatment of coal slime generated
by a
coal washing operation is an urgent problem to be solved in this industry.
The presence of clay minerals, especially highly hydrophilic montmorillonite
(MMT), is the key to the poor treatment effect of coal slime. Polyacrylamide
(PAM) is very popular as a polymer agent to improve the treatment
of coal slime. However, when it is used to treat coal slime with a
high content of MMT, the selection of PAM type and the mechanism of
action are still lacking. In this study, the effects of different
types of PAM on the treatment of coal slime water containing MMT are
considered by sedimentation and press filtration tests. The interaction
mechanism of PAM on the MMT surface is studied by using ζ-potential,
Brunauer–Emmett–Teller (BET) analysis, low-field nuclear
magnetic resonance, density functional theory (DFT), and molecular
dynamics (MD) simulations. The results show that the three PAM can
improve the sedimentation and filtration effect of coal slime water,
and the performance is CPAM > NPAM > APAM. The ζ-potential
of
the MMT (001) surface increases under the action of three PAM, and
the effect of CPAM is the most significant. The adsorption of PAM
on the MMT (001) surface has the ability to neutralize the surface
charge of MMT. The flocculation of MMT particles under PAM results
in an increase of particle size and a decrease of specific surface
area. Meanwhile, the pore volume of MMT decreases, and the average
pore size increases. In addition, PAM mainly removes vicinal water
on the MMT surface. The active sites of the MMT surface and PAM are
calculated by DFT. The adsorption of three PAM structural units on
the MMT Na-001 surface and non-001 surface is nonbonding interaction,
and the adsorption energy of CPAM is the largest. And the left shift
of εp of the O atom on the MMT surface is conducive
to the stable adsorption of CPAM. The MD results show that the concentration
of water molecules on the surface of MMT Na-001 decreases after PAM
is adsorbed on the MMT Na-001 surface, indicating that PAM can keep
water molecules away from the surface of MMT, which means that the
hydrophobicity of the MMT surface is enhanced. This study has guiding
significance for the selection of PAM and the development of new flocculants
in the treatment of coal slime with a high content of MMT.