SCI和EI收录∣中国化工学会会刊

Chin.J.Chem.Eng. ›› 2018, Vol. 26 ›› Issue (12): 2412-2419.DOI: 10.1016/j.cjche.2018.02.027

• Fluid Dynamics and Transport Phenomena • Previous Articles     Next Articles

Extra low friction coefficient caused by the formation of a solid-like layer: A new lubrication mechanism found through molecular simulation of the lubrication of MoS2 nanoslits

Jiahui Li1, Yudan Zhu1, Yumeng Zhang1, Qingwei Gao1,2, Wei Zhu1, Xiaohua Lu1, Yijun Shi3   

  1. 1 College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China;
    2 Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå 971 87, Sweden;
    3 Division of Machine Elements, Luleå University of Technology, Luleå 971 87, Sweden
  • Received:2017-12-27 Revised:2018-02-09 Online:2019-01-09 Published:2018-12-28
  • Contact: Yudan Zhu
  • Supported by:

    Supported by the National Science Foundation of China (21576130, 21490584), Project of Jiangsu Natural Science Foundation of China (BK20171464), Qing Lan Project, and Jiangsu Overseas Visiting Scholar Program for University Prominent Young & Middleaged Teachers and Presidents.

Extra low friction coefficient caused by the formation of a solid-like layer: A new lubrication mechanism found through molecular simulation of the lubrication of MoS2 nanoslits

Jiahui Li1, Yudan Zhu1, Yumeng Zhang1, Qingwei Gao1,2, Wei Zhu1, Xiaohua Lu1, Yijun Shi3   

  1. 1 College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China;
    2 Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå 971 87, Sweden;
    3 Division of Machine Elements, Luleå University of Technology, Luleå 971 87, Sweden
  • 通讯作者: Yudan Zhu
  • 基金资助:

    Supported by the National Science Foundation of China (21576130, 21490584), Project of Jiangsu Natural Science Foundation of China (BK20171464), Qing Lan Project, and Jiangsu Overseas Visiting Scholar Program for University Prominent Young & Middleaged Teachers and Presidents.

Abstract: Monolayer molybdenum disulfide (MoS2) is a novel two-dimensional material that exhibits potential application in lubrication technology. In this work, molecular dynamics was used to investigate the lubrication behaviour of different polar fluid molecules (i.e., water, methanol and decane) confined in monolayer MoS2 nanoslits. The pore width effect (i.e., 1.2, 1.6 and 2.0 nm) was also evaluated. Results revealed that decane molecules exhibited good lubricating performance compared to the other two kinds of molecules. The friction coefficient followed the order of decane < methanol < water, and decreased evidently as the slit width increased, except for decane. Analysis of the spatial distribution and mobility of different confined fluid molecules showed that a solid-like layer was formed near the slit wall. This phenomenon led to the extra low friction coefficient of confined decane molecules.

Key words: Molecular dynamics simulation, Microstructure, Molybdenum disulfide, Residence time distribution

摘要: Monolayer molybdenum disulfide (MoS2) is a novel two-dimensional material that exhibits potential application in lubrication technology. In this work, molecular dynamics was used to investigate the lubrication behaviour of different polar fluid molecules (i.e., water, methanol and decane) confined in monolayer MoS2 nanoslits. The pore width effect (i.e., 1.2, 1.6 and 2.0 nm) was also evaluated. Results revealed that decane molecules exhibited good lubricating performance compared to the other two kinds of molecules. The friction coefficient followed the order of decane < methanol < water, and decreased evidently as the slit width increased, except for decane. Analysis of the spatial distribution and mobility of different confined fluid molecules showed that a solid-like layer was formed near the slit wall. This phenomenon led to the extra low friction coefficient of confined decane molecules.

关键词: Molecular dynamics simulation, Microstructure, Molybdenum disulfide, Residence time distribution