摘要
研究旨在探究氧化铝(Al_(2)O_(3))纳米颗粒与非离子表面活性剂(脂肪醇聚氧乙烯醚,AEO-9)对煤尘润湿性的协同效应。通过表面张力测试和接触角测量,评估了不同浓度纳米流体对煤尘润湿性能的影响。为深入理解其微观机制,采用分子动力学模拟,研究了Al_(2)O_(3)纳米颗粒对纯水、低浓度AEO-9和高浓度AEO-9体系中吸附构型、相对浓度分布、氢键作用和水分子均方位移的影响。结果显示,纳米颗粒和表面活性剂单独使用均能增强煤的润湿性。纳米颗粒的引入降低了低浓度AEO-9对煤尘的润湿能力,却在高浓度AEO-9体系中表现出显著的协同增效作用,进一步提升了煤的润湿性。在高浓度纳米活性流体作用下,煤-水界面张力最低可达27.53 mN/m,接触角减小至16.65°。纳米颗粒在高浓度AEO-9吸附平衡构型中的位置远低于低浓度AEO-9体系,且吸附层厚度、水分子扩散系数和新产生氢键数量进一步提升。纳米颗粒的高表面活性及强吸附性是协同润湿煤尘的关键机制。研究为开发新型纳米抑尘剂和煤层注水增注剂提供了理论基础和参考。
This study aims to thoroughly investigate the synergistic effects and underlying microscopic mechanisms of aluminum oxide(Al_(2)O_(3))nanoparticles and the non-ionic surfactant Alcohol Ethoxylate(AEO-9)in enhancing coal dust wettability.To objectively assess the impact of nanofluids at different concentrations on coal dust wetting performance,we employ a multi-scale approach that combines macroscopic experimental measurements with microscopic molecular simulations.Surface tension measurements and contact angle analyses were performed to quantitatively evaluate the wetting efficacy of Al_(2)O_(3) nanoparticles and AEO-9 composite solutions at various ratios on coal dust.To gain deeper insights into the microscopic mechanisms underlying the synergistic wetting phenomenon,Molecular Dynamics(MD)simulations were conducted.This involved constructing systems comprising Al_(2)O_(3) nanoparticles in pure water,as well as in low-concentration and high-concentration AEO-9 solutions.The study focuses on examining the impact of nanoparticles on key parameters,including the adsorption configuration of AEO-9,the relative concentration distribution of components,hydrogen bond network interactions,and the mean square displacement of water molecules within the system.The results indicate that the addition of Al_(2)O_(3) nanoparticles alone causes only a minor reduction in the surface tension of water.However,when combined with AEO-9 to form nanofluids,the wettability of the solution towards coal dust is significantly improved.Notably,the introduction of nanoparticles diminishes the wetting effect in the low-concentration AEO-9 system,while it demonstrates a remarkable synergistic enhancement in the high-concentration AEO-9 system.Under the influence of high-concentration nano-active fluids,the coal-water interfacial tension can be reduced to a minimum of 27.53 mN/m,with the contact angle significantly decreasing to 16.65°.Moreover,molecular simulation results indicate that the high surface activity of Al_(2)O_(3) nanoparticles and their strong adsorption affinity for AEO-9 molecules are crucial factors contributing to the synergistic wetting mechanism.At high concentrations of AEO-9,nanoparticles demonstrate adsorption equilibrium configurations that are located significantly deeper than those observed in lower concentration AEO-9 systems.This phenomenon is associated with an increase in the thickness of the adsorption layer,the diffusion coefficient of water molecules,and the number of newly formed hydrogen bonds.The notable surface activity and strong adsorption capabilities of the nanoparticles are critical mechanisms behind the synergistic wetting of coal dust.The findings of this research provide a significant theoretical foundation and technical guidance for the development of efficient and environmentally friendly novel nano-dust suppressants,as well as agents for enhancing coal seam water injection.
作者
肖旸
刘凯
刘建国
佟林全
付超
曹勇
XIAO Yang;LIU Kai;LIU Jianguo;TONG Linquan;FU Chao;CAO Yong(College of Safety Science and Technology,Xi'an University of Science and Technology,Xi'an 710054,China;Research Institute of Macro-safety Science,University of Science and Technology Beijing,Beijing 100083,China;National Center for Occupational Safety and Health,National Health Commission,Beijing 102308,China;NHC Key Laboratory for Engineering Control of Dust Hazard,Beijing 102308,China)
出处
《安全与环境学报》
北大核心
2025年第10期3843-3852,共10页
Journal of Safety and Environment
基金
国家自然科学基金项目(52474205,52204198)
国家重点研发计划课题(2022YFC2903901)
国家卫生健康委职业安全卫生研究中心自管科研项目(ZY-2023-ZD01-01)。
