Experimental and molecular dynamics simulation study on the enhancement of low rank coal flotation by mixed collector
Experimental and molecular dynamics simulation study on the enhancement of low rank coal flotation by mixed collector
复制标题
混合捕收剂强化低阶煤浮选实验及分子动力学模拟研究
DOI：
10.1016/j.fuel.2020.117046
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发表时间：
2020-04-15
期刊：
影响因子：
7.4
通讯作者：
Liu, Shengyu
中科院分区：
文献类型：
--
作者：
Zhang, Lei;Sun, Xiaole;Liu, Shengyu
浮选捕收剂对细粒低阶煤的浮选性能和效率有着重要的影响。采用由非极性捕收剂（十二烷）和极性捕收剂（C12EO 4，四乙二醇单十二烷基醚）组成的混合捕收剂，对LRC进行了浮选性能的研究。结果表明，在十二烷中加入C12EO4可提高浮选效果。混合捕收剂中C12EO4的体积比越大，产率、可燃物回收率和浮选效率指数越高。采用分子动力学模拟（MD）方法探讨了混合捕收剂的微观强化机理。模拟结果表明，混合捕收剂与LRC表面之间的静电引力和氢键作用（如相互作用能和接触表面积所示）增强了混合捕收剂在LRC表面的相互作用强度和铺展能力，从而提高了LRC的浮选性能。同时还讨论了C12EO 4对十二烷乳化和增稠的影响。
Flotation collectors have a significant effect on the flotation performance and efficiency of fine low rank coal (LRC) particles. In this study, a mixed collector consisting of a nonpolar collector (dodecane) and a polar collector (C12EO4, tetraethylene glycol monododecyl ether) was used to improve the flotation performance of LRC. The results show that flotation behavior can be enhanced with the addition of C12EO4 in dodecane. The yield, combustible matter recovery, and flotation efficiency index increase with a larger volume ratio of C12EO4 in the mixed collector. A molecular dynamics simulation (MD) approach was applied to explore the microscopic strengthening mechanism of the mixed collector. The simulation demonstrated that the interaction strength and spreading ability of the mixed collector on the LRC surface increased due to electrostatic attraction and hydrogen bonding between the mixed collector and the LRC surface (as indicated by interaction energy and contact surface area), thereby enhancing flotation performance of the LRC. The effect of C12EO4 on the emulsification and dispersibility of dodecane is also discussed.