Structure of liquid–vapor interface of square well fluid confined in a cylindrical pore

2009 ◽  
Vol 388 (6) ◽  
pp. 799-805 ◽  
Author(s):  
Yuri Reyes-Mercado ◽  
Pedro Orea ◽  
Simón López-Ramírez ◽  
Yurko Duda
Keyword(s):  
Vapor Interface ◽  
Cylindrical Pore ◽  
Square Well ◽  
Structure Of Liquid ◽  
Liquid Vapor

scholarly journals A Molecular Dynamics Study on the Local Structure of Liquid-Vapor Interface of Water and L-J Fluid

2008 ◽  
Vol 3 (2) ◽  
pp. 234-240 ◽  
Author(s):  
Gota KIKUGAWA ◽  
Shu TAKAGI ◽  
Yoichiro MATSUMOTO ◽  
Taku OHARA
Keyword(s):  
Molecular Dynamics ◽  
Local Structure ◽  
Vapor Interface ◽  
Structure Of Liquid ◽  
Liquid Vapor

A Molecular Dynamics Study on the Local Structure of Liquid-Vapor Interface of Water and L-J Fluid

2007 ◽  
Author(s):  
Gota Kikugawa ◽  
Shu Takagi ◽  
Yoichiro Matsumoto ◽  
Taku Ohara
Keyword(s):  
Molecular Dynamics ◽  
Molecular Diffusion ◽  
Molecular Level ◽  
Thermal Fluctuation ◽  
Intrinsic Structure ◽  
Vapor Interface ◽  
The Difference ◽  
Dynamics Simulations ◽  
Structure Of Liquid ◽  
Liquid Vapor

Microscopic structures of the liquid-vapor interface are investigated by molecular dynamics simulations. In previous studies, we proposed the local and instantaneous definition of the interface at the molecular level, which can capture the thermal fluctuation of the interface. By using this definition, the layering structure of water molecules at the interface is found, in other words, the structurization phenomena of water at the molecular level are clearly seen as usually found at the liquid-solid interface. In this study, we also investigated the liquid-vapor interface of Lenard-Jones fluid. Well depth of L-J potential parameter was somewhat changed and the effect on the structure was studied. Although the structurization was also found at the L-J fluid as well as water, characteristic of this structure is clearly different from that of water. We consider that the difference is ascribed to the intrinsic structure of liquid and associative trend of molecules. We also discussed the anisotropic character of the molecular diffusion at the interface. The anisotropy of the translational diffusion at the interface of water is stronger than that of the L-J fluid.

Liquid–vapor interface of square-well fluids of variable interaction range

2004 ◽  
Vol 120 (24) ◽  
pp. 11754-11764 ◽  
Author(s):  
Pedro Orea ◽  
Yurko Duda ◽  
Volker C. Weiss ◽  
Wolffram Schröer ◽  
José Alejandre
Keyword(s):  
Interaction Range ◽  
Vapor Interface ◽  
Square Well ◽  
Variable Interaction ◽  
Liquid Vapor

Structure of liquid Ga and the liquid-vapor interface of Ga

1997 ◽  
Vol 56 (6) ◽  
pp. 7033-7042 ◽  
Author(s):  
Meishan Zhao ◽  
Dmitriy S. Chekmarev ◽  
Zhong-Hou Cai ◽  
Stuart A. Rice
Keyword(s):  
Vapor Interface ◽  
Structure Of Liquid ◽  
Liquid Vapor

A Numerical Description of a Liquid-Vapor Interface Based on the Second Gradient Theory

1995 ◽  
Vol 22 (1) ◽  
pp. 1-14 ◽  
Author(s):  
Didier Jamet ◽  
Olivier Lebaigue ◽  
Jean-Marc Delhaye ◽  
N. Coutris
Keyword(s):  
Gradient Theory ◽  
Vapor Interface ◽  
Second Gradient ◽  
Liquid Vapor

Liquid–vapor interface of water–methanol mixture. I. Computer simulation

1993 ◽  
Vol 98 (2) ◽  
pp. 1464-1472 ◽  
Author(s):  
Mitsuhiro Matsumoto ◽  
Yuji Takaoka ◽  
Yosuke Kataoka
Keyword(s):  
Computer Simulation ◽  
Vapor Interface ◽  
Methanol Mixture ◽  
Liquid Vapor
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