A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid–vapor interface of water

2008 ◽  
Vol 29 (6) ◽  
pp. 945-956 ◽  
Author(s):  
Lívia B. Pártay ◽  
György Hantal ◽  
Pál Jedlovszky ◽  
Árpád Vincze ◽  
George Horvai
Keyword(s):  
Surface Roughness ◽  
Computer Simulations ◽  
New Method ◽  
Vapor Interface ◽  
Liquid Vapor

PINNING OF A SOLID–LIQUID–VAPOR INTERFACE

1996 ◽  
Vol 10 (09) ◽  
pp. 359-375 ◽  
Author(s):  
JØRGEN VITTING ANDERSEN
Keyword(s):  
Computer Simulations ◽  
Contact Line ◽  
Hamiltonian Approach ◽  
Pinning Centers ◽  
Vapor Interface ◽  
Solid Liquid ◽  
Liquid Vapor

We propose a macroscopic Hamiltonian approach to study the pinning (sticking) of a solid–liquid–vapor contact line by pinning centers on the solid. We have so far studied the case of a vertical solid immersed into a liquid in the presence of gravity, but the method is general and can easily be extended to other geometries with and without gravity. Using computer simulations the method can be used to give a nonperturbative estimate for whether pinning centers interact cooperatively or independently in the pinning of the contact line.

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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