首页|表面活性剂水解离子协同特殊基团润湿煤尘机理研究

表面活性剂水解离子协同特殊基团润湿煤尘机理研究

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为提高煤尘防治效率,通过表面张力、Walker沉降、扫描电镜、红外光谱等方法测试了十二烷基聚氧乙烯醚硫酸铵(ALES)、十二烷基聚氧乙烯醚硫酸钠(SLES)和十二烷基硫酸钠(SDS)3种表面活性剂溶液对煤尘的润湿性能及其在煤尘表面的吸附能力.构建了 ALES、SLES、SDS分子模型和LRC模型,采用分子动力学模拟软件对分子结构进行几何优化和退火优化后,计算了不同表面活性剂在煤表面的静电势(EP)、氢键、密度分布,探究了水解离子、特殊基团对润湿煤尘的影响.结果表明:ALES溶液比SDS、SLES溶液具有更强的润湿和吸附煤尘的能力,这主要得益于ALES的水解阴、阳离子可渗入至低阶煤表面27 Å、35 Å处,渗透能力较强;SDS的水解阴、阳离子具有较大的EP值,分别为-0.177 59 a.u.、0.326 26 a.u.,使其周 围水分 子受到 约束而难以在煤尘表面扩散;NH4+和EO基团使氢键缔合的数量增加,增强了 ALES的吸附能力,改善了其对煤尘的润湿效果.研究结果可为煤尘灾害的防治提供依据.
Study on Mechanism of Surfactant Hydrolyzed Ions Synergizing with Special Group on Wetting Coal Dust
In order to improve the prevention and control efficiency of coal dust,the wettability of three surfactant solutions of ammonium dodecyl polyoxyethylene ether sulfate(ALES),sodium dodecyl polyoxyethylene ether sulfate(SLES)and sodium dodecyl sulfate(SDS)on coal rock and their adsorption capacities on coal dust surface were tested by means of surface tension,Walker sedimentation,scanning electron microscopy and infrared spectroscopy.The ALES,SLES,SDS molecular models and LRC models were constructed.The molecular dynamics simulation software was used to optimize the geometric and annealing optimization of the molecular structure.The electrostatic potential(EP),hydrogen bond and density distribution of different surfactant solutions on the coal surface were calculated.The effects of hydrolyzed ions and special groups on wetting coal dust were investigated.The results show that the ALES solution has a stronger ability to wet and adsorb coal dust than the SDS and SLES solutions,which is mainly due to the fact that the hydrolyzed anions and cations of ALES solution can penetrate into the surface of low rank coal at 27 Å and 35 Å,and the penetration ability is stronger.The hydrolyzed anion and cation of SDS solution have large EP values,which are-0.177 59 a.u.and 0.326 26 a.u.,respectively,which makes the surrounding water molecules constrained and difficult to diffuse on the surface of coal dust.NH4+and EO groups are conductive to increasing the number of hydrogen bond associations,enhancing the adsorption capacity of ALES,and improving its wetting effect on coal dust.The research results can provide a basis for the prevention and control of coal and rock disasters.

SurfactantWettingAdsorptionMolecular dynamics simulationLow rank coalPrevention of coal dust

甘建、王海川、王德明、鲍庆国、田志伟、徐超航、朱小龙

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安徽理工大学煤矿安全高效开采省部共建教育部重点实验室,安徽淮南市 232001

国家卫生健康委粉尘危害工程防护重点实验室,北京 102308

中国矿业大学安全工程学院,江苏徐州市 221116

山东能源枣庄矿业(集团)有限责任公司,山东枣庄市 277000

单县丰源实业有限公司,山东菏泽市 274300

枣庄王晁煤矿有限责任公司,山东枣庄市 277518

武汉理工大学安全科学与应急管理学院,湖北武汉 430070

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表面活性剂 润湿 吸附 分子动力学模拟 低阶煤 煤尘防治

安徽理工大学高层次引进人才科研启动基金国家自然科学基金面上项目国家自然科学基金面上项目国家卫生健康委粉尘危害工程防护重点实验室开放基金

2023yjrc885210421252130411KLECDH2023020102

2024

矿业研究与开发
长沙矿山研究院有限责任公司 中国有色金属学会

矿业研究与开发

CSTPCD北大核心
影响因子:0.763
ISSN:1005-2763
年,卷(期):2024.44(5)