Studying interactions between undecane and graphite surfaces by chemical force microscopy and molecular dynamics simulations

被引:61
|
作者
Xia, Yangchao [1 ,2 ]
Xing, Yaowen [1 ]
Li, Ming [1 ,2 ]
Liu, Min [1 ,2 ]
Tan, Jinliong [3 ]
Cao, Yijun [1 ]
Gui, Xiahui [1 ]
机构
[1] China Univ Min & Technol, Chinese Natl Engn Res Ctr Coal Preparat & Purific, Xuzhou 221116, Jiangsu, Peoples R China
[2] China Univ Min & Technol, Sch Chem Engn & Technol, Xuzhou 221116, Jiangsu, Peoples R China
[3] China Univ Min & Technol Beijing, Sch Chem & Environm Engn, Beijing 100083, Peoples R China
基金
中国博士后科学基金; 国家重点研发计划;
关键词
Hydrophobic interaction; Chemical force microscopy; Molecular dynamics simulations; Extended DLVO theory; Mineral flotation; LOW-RANK COAL; BUBBLE-PARTICLE ATTACHMENT; HYDROPHOBIC INTERACTION; MICA SUBSTRATE; FLOTATION; ADHESION; OIL; ADSORPTION; COLLECTORS; MECHANISM;
D O I
10.1016/j.fuel.2020.117367
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
Collectors are often used to increase the hydrophobicity of valuable minerals during flotation. Hence, it is necessary to know the forces between them, especially the hydrophobic force, which closely associated with hydrophobic minerals floating, such as graphite, coal, and molybdenite. In the present study, graphite sheets were used as the hydrophobic mineral, and the force characteristics and interfacial adsorption structures of undecane (a model collector) on graphite surface with different hydrophobicities were investigated by chemical force microscopy and molecular dynamics simulations. Undecane experiences repulsive interactions as it approaches hydrophilic graphite; however, an obvious jump-in phenomenon driven by hydrophobic force was observed for hydrophobic graphite, which triggers their adhesion. Derjaguin-Landau-Verwey-Overbeek (DLVO) and extended DLVO fitting reveal that the hydrophobic force decays at 1.35 nm in a single-exponential manner. The adhesion force during retraction increases with increasing surface hydrophobicity. The hydrophilic surface adsorbs a large amount of water to form a dense and ordered hydration film that interferes with the adsorption of undecane, while a water-depletion layer exists on the hydrophobic surface with closely adsorbed undecane molecules. This study improves our understanding of the action mechanism of flotation collectors for hydrophobic minerals.
引用
收藏
页数:8
相关论文
共 50 条
  • [21] Molecular dynamics simulations of the interactions between SWNT and surfactants
    Pang, Jinyu
    Xu, Guiying
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 65 : 324 - 330
  • [22] Atomic Force Microscopy Studies of the Initial Interactions between Fibrinogen and Surfaces
    Xu, Li-Chong
    Siedlecki, Christopher A.
    LANGMUIR, 2009, 25 (06) : 3675 - 3681
  • [23] Chemical force microscopy of chemical and biological interactions
    Noy, Aleksandr
    SURFACE AND INTERFACE ANALYSIS, 2006, 38 (11) : 1429 - 1441
  • [24] Tetrathiophene on graphite: Molecular dynamics simulations
    Marcon, V
    Raos, G
    Allegra, G
    MACROMOLECULAR THEORY AND SIMULATIONS, 2004, 13 (06) : 497 - 505
  • [25] Mesoscale Molecular Dynamics Simulations of the Force between Surfaces with Grafted Poly(ethylene oxide) Chains Derived from Atomistic Simulations
    Cordeiro, Rodrigo M.
    Zschunke, Florian
    Mueller-Plathe, Florian
    MACROMOLECULES, 2010, 43 (03) : 1583 - 1591
  • [26] Visualization of interactions between organic polymer surfaces and ion beams obtained from molecular dynamics simulations
    Yamada, H
    Hamaguchi, S
    IEEE TRANSACTIONS ON PLASMA SCIENCE, 2005, 33 (02) : 246 - 247
  • [27] Fracture in glass via molecular dynamics simulations and atomic force microscopy experiments
    Rountree, C. L.
    Bonamy, D.
    Dalmas, D.
    Prades, S.
    Kalia, R. K.
    Guillot, C.
    Bouchaud, E.
    PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B, 2010, 51 (02): : 127 - 132
  • [28] Nucleosomal intermediate structures characterized by molecular dynamics simulations and atomic force microscopy
    Rychkov, G.
    Nazarov, I.
    Ilatovskiy, A.
    Shvetsov, A.
    Lebedev, D.
    Isaev-Ivanov, V.
    Onufriev, A.
    FEBS JOURNAL, 2014, 281 : 707 - 708
  • [29] Fracture in glass via molecular dynamics simulations and atomic force microscopy experiments
    Rountree, C.L.
    Bonamy, D.
    Dalmas, D.
    Prades, S.
    Kalia, R.K.
    Guillot, C.
    Bouchaud, E.
    Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B, 2010, 51 (02): : 127 - 132
  • [30] Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations
    Stock, Philipp
    Monroe, Jacob J.
    Utzig, Thomas
    Smith, David J.
    Shell, M. Scott
    Valtiner, Markus
    ACS NANO, 2017, 11 (03) : 2586 - 2597