Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study

被引：75
作者：
Dutta, Ravi C. [1 ]
Khan, Sandip [1 ]
Singh, Jayant K. [1 ]
机构：
[1] Indian Inst Technol, Dept Chem Engn, Kanpur 208016, Uttar Pradesh, India
来源：
FLUID PHASE EQUILIBRIA | 2011年 / 302卷 / 1-2期
关键词：
Contact angle; Wetting temperature; Line tension; Graphite; Boron-nitride; LINE TENSION; DROP SIZE; CARBON; ADSORPTION; NANOTUBES; LIQUID; DEPENDENCE; DIFFUSION; DEFECTS; HE-4;
D O I：
10.1016/j.fluid.2010.07.006
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Wetting transition of water on graphite and boron-nitride (BN) surfaces is investigated by molecular dynamics simulation. In particular, we report the effect of temperature and system size on the contact angle of water droplet on the two surfaces. Wetting temperature of water on graphite is found to be 470 +/- 5K, which is in good agreement with the estimate of Zhao (Phys. Rev. B 76 (2007) 041402) using grand-canonical Monte Carlo simulations. On the other hand, wetting temperature of water on BN surface is estimated to be lower, 438 +/- 5K. Temperature dependence of line tension of water droplet on both the surfaces is also studied, and found to vary between 10(-10) and 10(-9)N for temperature in the range of 300-420K. In this work, line tension for water on graphite and BN surfaces is observed to have a logarithmic proportional behavior with the contact angle. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：310 / 315
页数：6
相关论文
共 62 条
  • [1] Line tension measurements through drop size dependence of contact angle
    Amirfazli, A
    Kwok, DY
    Gaydos, J
    Neumann, AW
    [J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1998, 205 (01) : 1 - 11
  • [2] Status of the three-phase line tension
    Amirfazli, A
    Neumann, AW
    [J]. ADVANCES IN COLLOID AND INTERFACE SCIENCE, 2004, 110 (03) : 121 - 141
  • [3] THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS
    BERENDSEN, HJC
    GRIGERA, JR
    STRAATSMA, TP
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) : 6269 - 6271
  • [4] CRITICAL-POINT WETTING
    CAHN, JW
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (08) : 3667 - 3672
  • [5] Molecular dynamics simulation of wetting on modified amorphous silica surface
    Chai, Jingchun
    Liu, Shuyan
    Yang, Xiaoning
    [J]. APPLIED SURFACE SCIENCE, 2009, 255 (22) : 9078 - 9084
  • [6] THE SHAPE OF THE TRANSITION ZONE BETWEEN A THIN-FILM AND BULK LIQUID AND THE LINE TENSION
    CHURAEV, NV
    STAROV, VM
    DERJAGUIN, BV
    [J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1982, 89 (01) : 16 - 24
  • [7] Boron nitride nanotubes: An innovative tool for nanomedicine
    Ciofani, Gianni
    Raffa, Vittoria
    Menciassi, Arianna
    Cuschieri, Alfred
    [J]. NANO TODAY, 2009, 4 (01) : 8 - 10
  • [8] PARTICLE MESH EWALD - AN N.LOG(N) METHOD FOR EWALD SUMS IN LARGE SYSTEMS
    DARDEN, T
    YORK, D
    PEDERSEN, L
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12) : 10089 - 10092
  • [9] Dynamic wetting studied by molecular modeling simulations of droplet spreading
    de Ruijter, MJ
    Blake, TD
    De Coninck, J
    [J]. LANGMUIR, 1999, 15 (22) : 7836 - 7847
  • [10] NEW PHASE-TRANSITION PHENOMENA IN THIN ARGON FILMS
    EBNER, C
    SAAM, WF
    [J]. PHYSICAL REVIEW LETTERS, 1977, 38 (25) : 1486 - 1489
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