煤炭转化2025，Vol.48Issue(5)：61-69,9.DOI:10.19726/j.cnki.ebcc.202505006
阴-非离子复合溶液对烟煤润湿性影响及微观机理研究
Study on the effect of anionic-nonionic composite solution on the wetta-bility of bituminous coal and the microscopic mechanism
摘要
Abstract
This study examines the impact and underlying mechanisms of anionic-nonionic composite solutions on the wettability of bituminous coal.Sodium Dodecyl Benzene Sulfonate(SDBS),an anionic surfactant,and Coconutt Diethanol Amide(CDEA),a nonionic surfactant,were employed as research subjects.Wetting tests assessed the wettability of both individual and com-posite surfactant solutions.Molecular dynamics simulations calculated the interactions within the water/coal and water/surfactant/coal systems,analyzing relative concentration distribution,mean square displacement,and interaction energy.Findings show that surface tension and wetting angle on coal decrease with increasing solution mass fraction for both surfactant types,stabilizing when the mass fraction reaches 0.05%.The SDBS-CDEA composite solution,at this concentration,exhibited lower surface tension and wetting angle than individual surfactant solutions.Compared to single sur-factant systems,the SDBS-CDEA system demonstrates an earlier onset of relative water molecule concentration near the coal surface,greater overlap in the concentration distribution curves of water and coal,and the highest surfactant concentration at the coal surface.Furthermore,the diffusion coef-ficient of water molecules decreases by 27.87%in this system,and the interaction energy between water and coal peaks at-406.273 kJ/mol,effectively addressing the challenges of poor hydrophilic-ity and wetting difficulties in bituminous coal.These findings can guide the selection and development of dust suppressants.关键词
分子动力学/烟煤/阴-非离子复合溶液/润湿性/表面活性剂Key words
molecular dynamics/bituminous coal/anionic-nonionic composite solution/wettability/surfactant分类
资源环境引用本文复制引用
荆德吉,鲍春花,葛少成,孟祥曦,杨殿才,刘晓南..阴-非离子复合溶液对烟煤润湿性影响及微观机理研究[J].煤炭转化,2025,48(5):61-69,9.基金项目
国家自然基金面上项目(52474229)、2021年度辽宁省教育厅科学研究经费项目(重点项目)(LJKZ0323)和辽宁省教育厅理工类项目(JYTQN2023205). （52474229）
