摘要
喷雾降尘是现阶段矿井使用最广泛的除尘方式之一,水对煤的润湿性能对喷雾降尘效果有着直接的影响,所以在水中加入表面活性剂可提高水对煤的润湿性能。为探究不同类型表面活性剂对烟煤粉尘润湿性能影响,以快渗T、1227、BS-12和APG 4种类型的表面活性剂为代表,采用分子模拟技术和实验室实验相结合对烟煤的润湿性能进行了研究。一方面,利用分子模拟手段构建了表面活性剂水溶液的界面体系,基于氢键形成数目和径向分布函数理论,对表面活性剂自身的亲水性进行了模拟分析,并开展了4种试剂的表面张力实验,研究发现,快渗T形成氢键的数目最多,为398个,且径向分布函数曲线出现峰值最早在1.99×10^(-10)m处,最易与H_(2)O分子吸附,实验结果也表现为快渗T对水的表面张力削弱最强,即表面张力最小,为24.4 mN/m。另一方面,通过静电势计算,结合构建的表面活性剂/水/烟煤三元吸附体系相互作用能分析,研究了4种表面活性剂对烟煤润湿性影响,并分别开展了烟煤在4种试剂中的沉降实验和接触角实验,结果表明,快渗T与烟煤分子结合后该部位与水分子的电势差最大,为6.8535 eV,其与烟煤间相互作用能也最大,为-2705.12 kJ/mol,实验结果也表现为2种烟煤在快渗T中的沉降时间最小,分别为26.3、10.22 s,接触角最小,分别为25.8°、21.7°,由此表明分子模拟结果均与实验结果一致,均验证得出阴离子型表面活性剂快渗T对烟煤的润湿性能为最好。
Currently spray dust reduction is one of the most widely used dust removal methods in coal mines.The wetting performance of water on coal has a direct impact on spray dust reduction,therefore,adding wetting agents such as surfactants in water can improve the wetting performance of water on coal.In order to investigate the effect of various surfactants on the wettability of bituminous coal dust,four types of surfactants,namely,Rapid Penetrant T,1227,BS-12 and APG,were used to investigate the wettability of bituminous coal by combining molecular simulation techniques and labor-atory experiments.On the one hand,the interfacial system of surfactant aqueous solution was constructed by means of mo-lecular simulation,the hydrophilicity of surfactant itself was analyzed based on the theory of the number of hydrogen bond formation and the radial distribution function,and the surface tension experiments of 4 reagents were carried out,and it was found that the Rapid Penetrant T reagent forms the most number of hydrogen bonds being 398,and the radial distribu-tion function curve peaks at 1.99×10^(−10)m at the earliest time,which is the easiest to be adsorbed with H_(2)O molecules,and the experimental results also showed that the Rapid Penetrant T reagent has the strongest weakening of the surface tension of the water,i.e.,the smallest surface tension,which is 24.4 mN/m.On the other hand,through the electrostatic potential calculation,combined with the constructed surfactant/water/bituminous coal ternary adsorption system interaction energy analysis,the effect of four surfactants on the wettability of bituminous coal was investigated,and the experiments on the settlement and contact angle of bituminous coal in 4 reagents were carried out respectively.The results showed that the po-tential difference between the site and the water molecules after the Rapid Penetrant T molecules combined with the bitu-minous coal molecules is the largest,being 6.8535 eV,and the interaction energy between it and the bituminous coal is also th
作者
唐明云
金靖艳
江丙友
郑春山
周亮
高世强
王乐乐
TANG Mingyun;JIN Jingyan;JIANG Bingyou;ZHENG Chunshan;ZHOU Liang;GAO Shiqiang;WANG Lele(State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines,Anhui University of Science and Technology,Huainan 232001,China;School of Safety Science and Engineering,Anhui University of Science and Technology,Huainan 232001,China)
出处
《煤炭学报》
EI
CAS
CSCD
北大核心
2024年第7期2986-2996,共11页
Journal of China Coal Society
基金
国家重点研发计划资助项目(2022YFC2503200,2022YFC2503201)
国家自然科学基金资助项目(52074012)。
关键词
表面活性剂
烟煤
分子模拟
氢键
润湿性
surfactant
bituminous coal
molecular simulation
hydrogen bond
wetting performance
