| 基于量子化学分析表面活性剂对不同煤种润湿机理的影响* |
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| 引用本文： | 刘硕,葛少成,王俊峰,孙丽英,陈曦,荆德吉,康健婷.基于量子化学分析表面活性剂对不同煤种润湿机理的影响*[J].中国安全生产科学技术,2021,17(11):105-111. |
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| 作者姓名： | 刘硕 葛少成 王俊峰 孙丽英 陈曦 荆德吉 康健婷 |
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| 作者单位： | （1.太原理工大学 安全与应急管理工程学院，山西 太原 030024；2.太原理工大学 矿业工程学院，山西 太原 030024；3.辽宁工程技术大学 安全科学与工程学院，辽宁 阜新 123000） |
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| 基金项目： | * 基金项目: 国家自然科学基金项目（52174195）；山西省高等学校科技成果转化培育项目（2020CG022）；辽宁省自然科学基金项目（2020-MS-304） |
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| 摘 要： | 为研究不同类型表面活性剂对煤润湿性的调控机理，首先将所选煤样的润湿性与煤样成分进行关联分析，然后采用透过高度法实验及量子化学计算相结合的方法研究表面活性剂对煤样润湿性的影响效果及机理。结果表明:煤的润湿性与煤中固有水分、灰分呈正相关关系，与煤中固定碳呈负相关关系；所选取的4种表面活性剂的加入会降低褐煤的亲水性，而对长焰煤、焦煤和无烟煤亲水性有提升作用，并且十二烷基硫酸钠对于这3种煤样亲水性的提升作用最为明显；表面活性剂分子、水分子及煤分子的表面静电势分布共同决定了表面活性剂对煤浸润性的影响。
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| 关 键 词： | 量子化学 表面活性剂 润湿性 粉尘防治 表面静电势 |
Influence of surfactants on wettability mechanism of different coals based on quantum chemistry analysis |
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| LIU Shuo,GE Shaocheng,WANG Junfeng,SUN Liying,CHEN Xi,JING Deji,KANG Jianting.Influence of surfactants on wettability mechanism of different coals based on quantum chemistry analysis[J].Journal of Safety Science and Technology,2021,17(11):105-111. |
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| Authors: | LIU Shuo GE Shaocheng WANG Junfeng SUN Liying CHEN Xi JING Deji KANG Jianting |
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| Affiliation: | (1.College of Safety and Emergency Management Engineering,Taiyuan University of Technology,Taiyuan Shanxi 030024,China;2.College of Mining Engineering,Taiyuan University of Technology,Taiyuan Shanxi 030024,China;3.College of Safety Science and Engineering,Liaoning Technical University,Fuxin Liaoning 123000,China) |
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| Abstract: | In order to study the regulation mechanism of different types of surfactants on the wettability of coal,the correlation analysis between the wettability of selected coal samples and their composition was carried out,and the influence effect and mechanism of surfactants on the wettability of coal samples were studied by the combining method of permeating height method experiment and quantum chemistry calculation.The results showed that the wettability of coal was positively correlated with the inherent moisture and ash content of coal,and negatively correlated with the fixed carbon content of coal.The addition of four selected surfactants would reduce the hydrophilicity of lignite,but improve the hydrophilicity of long-flame coal,coking coal and anthracite,and the sodium dodecyl sulfate had the most obvious improvement effect on the hydrophilicity of three coal samples.The influence of surfactant on the wettability of coal was jointly determined by the surface electrostatic potential distribution of surfactant,water and coal molecules. |
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| Keywords: | quantum chemistry surfactant wettability dust prevention and control surface electrostatic potential |
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