Solvation forces and liquid-solid phase equilibria for water confined between hydrophobic surfaces

被引:35
作者
Koga, K [1 ]
机构
[1] Cornell Univ, Baker Lab, Dept Chem, Ithaca, NY 14853 USA
[2] Fukuoka Univ Educ, Dept Chem, Fukuoka 8114192, Japan
关键词
D O I
10.1063/1.1480855
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Solvation force and phase behavior of water confined between hydrophobic surfaces at nanoscale distances have been studied by molecular dynamics simulation of the TIP4P model water. Freezing and melting of confined water are observed at certain intersurface separations in bringing one surface to the other at a fixed temperature and a fixed lateral or bulk pressure. Solvation force curves are found to be discontinuous upon freezing and melting of confined water and exhibit strong hystereses, implying a peculiar manifestation of the hydrophobic effect. The thermodynamics for a confined system at fixed surface separation, temperature, and lateral or bulk pressure is applied for examining the liquid-solid equilibria of confined water. (C) 2002 American Institute of Physics.
引用
收藏
页码:10882 / 10889
页数:8
相关论文
共 17 条
[1]   Interaction between hydrophobic surfaces with metastable intervening liquid [J].
Bratko, D ;
Curtis, RA ;
Blanch, HW ;
Prausnitz, JM .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (08) :3873-3877
[2]   Confinement effects on freezing and melting [J].
Christenson, HK .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2001, 13 (11) :R95-R133
[3]   PHASE-EQUILIBRIA AND SOLVATION FORCES FOR FLUIDS CONFINED BETWEEN PARALLEL WALLS [J].
EVANS, R ;
MARCONI, UMB .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :7138-7148
[5]   The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water [J].
Gao, GT ;
Zeng, XC ;
Tanaka, H .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (19) :8534-8538
[6]   Phase separation in confined systems [J].
Gelb, LD ;
Gubbins, KE ;
Radhakrishnan, R ;
Sliwinska-Bartkowiak, M .
REPORTS ON PROGRESS IN PHYSICS, 1999, 62 (12) :1573-1659
[7]   COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER [J].
JORGENSEN, WL ;
CHANDRASEKHAR, J ;
MADURA, JD ;
IMPEY, RW ;
KLEIN, ML .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :926-935
[8]   Freezing of confined water: A bilayer ice phase in hydrophobic nanopores [J].
Koga, K ;
Zeng, XC ;
Tanaka, H .
PHYSICAL REVIEW LETTERS, 1997, 79 (26) :5262-5265
[9]   First-order transition in confined water between high-density liquid and low-density amorphous phases [J].
Koga, K ;
Tanaka, H ;
Zeng, XC .
NATURE, 2000, 408 (6812) :564-567
[10]   A COMPARISON OF THE STRUCTURE AND DYNAMICS OF LIQUID WATER AT HYDROPHOBIC AND HYDROPHILIC SURFACES - A MOLECULAR-DYNAMICS SIMULATION STUDY [J].
LEE, SH ;
ROSSKY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (04) :3334-3345