Molecular dynamics simulations of disjoining pressure effect in ultra-thin water film on a metal surface

被引:35
作者
Hu, H. [1 ]
Sun, Y. [1 ]
机构
[1] Drexel Univ, Dept Mech Engn & Mech, Philadelphia, PA 19104 USA
基金
美国国家科学基金会;
关键词
LIFSHITZ THEORY; LIQUID; FLOW; EVAPORATION; FORCES;
D O I
10.1063/1.4858469
中图分类号
O59 [应用物理学];
学科分类号
摘要
Molecular dynamics (MD) simulations are used to examine the disjoining pressure effect of a water thin film adsorbed on a metal surface. The model was validated against experiments and verified against previous MD simulations. The variation of vapor pressure with film thickness was examined for a water thin film adsorbed on a gold surface. The results agree well with the classic disjoining pressure theory without surface charges and show that liquid layering does not affect disjoining pressure. However, surface charges of the gold substrate enhance the disjoining pressure of the water thin film, consistent with experimental evidences for polar liquids. (C) 2013 AIP Publishing LLC.
引用
收藏
页数:5
相关论文
共 42 条
[1]   Higher-order virial coefficients of water models [J].
Benjamin, Kenneth M. ;
Singh, Jayant K. ;
Schultz, Andrew J. ;
Kofke, David A. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (39) :11463-11473
[2]   Molecular simulation of disjoining-pressure isotherms for free liquid, Lennard-Jones thin films [J].
Bhatt, D ;
Newman, J ;
Radke, CJ .
JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (25) :6529-6537
[3]   MEASUREMENT OF THE FORCES BETWEEN GOLD SURFACES IN WATER BY ATOMIC-FORCE MICROSCOPY [J].
BIGGS, S ;
MULVANEY, P .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (11) :8501-8505
[4]   Disjoining pressure effects in ultra-thin liquid films in micropassages - Comparison of thermodynamic theory with predictions of molecular dynamics simulations [J].
Carey, V. P. ;
Wemhoff, A. P. .
JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME, 2006, 128 (12) :1276-1284
[5]   Molecular-Level Modeling of Interfacial Phenomena in Boiling Processes [J].
Carey, V. P. .
EXPERIMENTAL HEAT TRANSFER, 2013, 26 (2-3) :296-327
[6]   THE EMBEDDED-ATOM METHOD - A REVIEW OF THEORY AND APPLICATIONS [J].
DAW, MS ;
FOILES, SM ;
BASKES, MI .
MATERIALS SCIENCE REPORTS, 1993, 9 (7-8) :251-310
[7]   STRUCTURAL COMPONENT OF DISJOINING PRESSURE [J].
DERJAGUIN, BV ;
CHURAEV, NV .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1974, 49 (02) :249-255
[8]   QUESTION OF DETERMINING CONCEPT OF DISJOINING PRESSURE AND ITS ROLE IN EQUILIBRIUM AND FLOW OF THIN-FILMS [J].
DERJAGUIN, BV ;
CHURAEV, NV .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1978, 66 (03) :389-398
[9]  
DERJAGUIN BV, 1969, KOLLOID ZH, V31, P304
[10]   Explosive boiling of water films adjacent to heated surfaces: A microscopic description [J].
Dou, YS ;
Zhigilei, LV ;
Winograd, N ;
Garrison, BJ .
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (12) :2748-2755