Free energy partitioning analysis of the driving forces that determine ion density profiles near the water liquid-vapor interface

2012 ◽  
Vol 136 (10) ◽  
pp. 104503 ◽  
Author(s):  
Ayse Arslanargin ◽  
Thomas L. Beck
Keyword(s):  
Free Energy ◽  
Driving Forces ◽  
Energy Partitioning ◽  
Density Profiles ◽  
Ion Density ◽  
Vapor Interface ◽  
Liquid Vapor

A Mean-Field Pressure Formulation for Liquid-Vapor Flows

2006 ◽  
Vol 129 (7) ◽  
pp. 894-901 ◽  
Author(s):  
Shi-Ming Li ◽  
Danesh K. Tafti
Keyword(s):  
Free Energy ◽  
Mean Field ◽  
Capillary Waves ◽  
Wave Number ◽  
Density Profiles ◽  
Pressure Formulation ◽  
Boltzmann Method ◽  
Relationship Of ◽  
The Relationship ◽  
Liquid Vapor

A nonlocal pressure equation is derived from mean-field free energy theory for calculating liquid-vapor systems. The proposed equation is validated analytically by showing that it reduces to van der Waals’ square-gradient approximation under the assumption of slow density variations. The proposed nonlocal pressure is implemented in the mean-field free energy lattice Boltzmann method (LBM). The LBM is applied to simulate equilibrium liquid-vapor interface properties and interface dynamics of capillary waves and oscillating droplets in vapor. Computed results are validated with Maxwell constructions of liquid-vapor coexistence densities, theoretical relationship of variation of surface tension with temperature, theoretical planar interface density profiles, Laplace’s law of capillarity, dispersion relationship between frequency and wave number of capillary waves, and the relationship between radius and the oscillating frequency of droplets in vapor. It is shown that the nonlocal pressure formulation gives excellent agreement with theory.

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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