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Aromatic complexity regulates interfacial adsorption and slurry-forming performance of polycarboxylate dispersants for coal-water slurry
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DOI：10.1016/j.colsurfa.2026.141492.png)
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Abstract
En 中文
High-solid coal-water slurry (CWS) requires dispersants that adsorb effectively on coal surfaces and maintain particle dispersion in water. In this study, three polycarboxylate dispersants with controlled aromatic complexity were synthesized by aqueous free-radical polymerization and denoted PA, ST, and VN, representing non-aromatic, benzene-ring-containing, and naphthalene-based fused-aromatic structures, respectively. Structural characterization confirmed the designed structural differences among the three dispersants. Increasing aromatic complexity improved CWS flowability, storage stability and coal-surface adsorption. VN gave the best slurry-forming performance: its maximum slurry concentration reached 62.01%, compared with 61.82% for ST and 60.78% for PA, and its penetration ratio increased to 82.45%. VN also produced the most negative zeta potential (-34.60 mV) and the highest equilibrium adsorption capacity at 25 °C (10.36 mg·g−1). Adsorption kinetics and isotherms were better described by the pseudo-second-order and Langmuir models, respectively, under the tested conditions, indicating differences in adsorption kinetics and a tendency toward equilibrium saturation among the three dispersants. Molecular dynamics (MD) simulations further showed stronger coal-dispersant affinity for VN, with an interaction energy of −4026.23 kcal·mol−1 and a self-diffusion coefficient of 1.70 × 10−10 m2·s−1. These results show that naphthalene-based aromatic units strengthen interfacial adsorption and improve the fluidity, solid loading and storage stability of CWS.
Keywords:
Polycarboxylate dispersant
Coal-water slurry
Aromatic complexity
Interfacial adsorption
Molecular dynamics simulation
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