不同表面活性剂对煤尘润湿效果的试验联合模拟研究  

Experimental joint simulation study on the wetting effects of different surfactants on coal dust

作　　者：荆德吉[1,2,3] 鲍春花 戴明颖 董智斌 刘鸿威 JING Deji;BAO Chunhua;DAI Mingying;DONG Zhibin;LIU Hongwei(College of Safety Science and Engineering,Liaoning Technical University,Fuxin 123000,Liaoning,China;Key Laboratory of Mine Thermodynamic Disasters and Control of Ministry of Education(Liaoning Technical University),Fuxin 123000,Liaoning,China;Ordos Institute of Liaoning Technical University,Ordos 017000,Inner Mongolia,China;Aerospace Information Software Technology Co.,Ltd.,Beijing 100195,China;College of Mining,Liaoning Technical University,Fuxin 123000,Liaoning,China)

机构地区：[1]辽宁工程技术大学安全科学与工程学院,辽宁阜新123000 [2]矿山热动力灾害与防治教育部重点实验室(辽宁工程技术大学),辽宁阜新123000 [3]辽宁工程技术大学鄂尔多斯研究院,内蒙古鄂尔多斯017000 [4]航天信息软件技术有限公司,北京100195 [5]辽宁工程技术大学矿业学院,辽宁阜新123000

出　　处：《安全与环境学报》2025年第3期995-1006,共12页Journal of Safety and Environment

基　　金：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(LJKZ0323)。

摘　　要：随着煤矿开采深度增加和机械化程度提高,传统的喷雾难以有效解决煤尘污染问题,而添加表面活性剂能够有效抑制煤尘的产生和运移。为探明不同类型表面活性剂对煤尘润湿性的影响,采用试验联合分子模拟方法,从宏微观尺度探讨了十二烷基苯磺酸钠(Sodium Dodecyl Benzene Sulfonate,SDBS)、椰子油脂肪酸二乙醇酰胺(Coconutt Diethanol Amide,CDEA)及椰油酰胺丙基甜菜碱(Cocoamidopropyl Betaine,CAB)对煤尘的润湿性。从宏观试验入手探究各表面活性剂对煤尘润湿性的影响,并通过建立表面活性剂/水、水/表面活性剂/煤体系进行动力学模拟分析,考察运动过程中分子运动趋势,将表面张力与氢键作用和径向分布函数结合分析表面活性剂自身的亲水性,将润湿角和沉降试验与静电势和相对浓度、均方位移、相互作用能结合研究表面活性剂对煤尘的润湿性影响,从分子尺度对试验现象进行系统性分析,深入探讨表面活性剂润湿煤尘的机制。结果表明:SDBS对水的表面张力削弱最强,即表面张力最小,为24.08 mN/m,微观表现为SDBS溶液形成的氢键最多,为771个,长为0.15 nm的氢键最多,径向函数曲线峰值最早出现,最易与水分子吸附;SDBS溶液的润湿角、沉降时间均为最小,分别为19.83°、21.11 s,微观表现为SDBS与煤结合后与水结合部位的静电势差最大,为5.3529 eV,受π-π相互作用的影响,SDBS在煤水界面的吸附范围最广,在氢键和静电力的主导下,水分子扩散系数最小,为0.51×10^(-4)cm^(2)/s,大幅限制了水分子扩散,SDBS与煤的相互作用能也最大,为-2662.80 kJ/mol。模拟分析揭示了宏观试验现象呈现的变化规律,研究结果可为高效评价表面活性剂润湿性提供参考。As coal mining depth and mechanization increase,traditional spraying methods become less effective in addressing coal dust pollution.However,the introduction of surfactants can significantly reduce coal dust generation and transport.This study investigates the effects of different surfactants on the wettability of coal dust,specifically Sodium Dodecyl Benzene Sulfonate(SDBS),Coconutt Diethanol Amide(CDEA),and Cocamidopropyl Betaine(CAB),using both experimental methods and molecular simulation techniques at macro and micro scales.From a macroscopic perspective,we analyzed the influence of each surfactant on coal dust wettability.We then conducted kinetic simulations of surfactant/water and surfactant/water/coal systems to explore trends in molecular motion.We integrated surface tension data,hydrogen bond interactions,and radial distribution functions to assess the inherent hydrophilicity of the surfactants.By combining wetting angle and sedimentation experiments with analyses of electrostatic potentials,relative concentrations,mean square displacements,and interaction energies,we systematically elucidated the molecular-scale mechanisms underlying surfactant-induced improvements in coal dust wettability.The results indicated that the SDBS solution exhibited the lowest surface tension at 24.08 mN/m.Microscopically,it formed the highest number of hydrogen bonds(771),with a significant concentration of bonds at a length of 0.15 nm.Additionally,its radial distribution function peaked earliest,demonstrating a strong affinity for water molecules.SDBS also exhibited the smallest wetting angle(19.83°)and the shortest settling time(21.11 s).At the molecular level,after SDBS interacted with coal,the electrostatic potential difference at the water binding site was the greatest,reaching 5.3529 eV.Influenced byπ-πinteractions,SDBS adsorbed the broadest range of water molecules at the coal-water interface.Dominated by hydrogen bonding and electrostatic forces,the diffusion coefficient of water molecules was the lowest at 0.51

关 键 词：安全卫生工程技术 表面活性剂 分子模拟 氢键作用 润湿性 

分 类 号：X964[环境科学与工程—安全科学]