Get 20M+ Full-Text Papers For Less Than $1.50/day. Start a 7-Day Trial for You or Your Team.

Learn More →

Molecular Dynamics Simulation of Behaviours of Non-Polar Droplets Merging and Interactions with Hydrophobic Surfaces

Molecular Dynamics Simulation of Behaviours of Non-Polar Droplets Merging and Interactions with... Abstract This paper presents a molecular dynamics simulation of the behaviours of non-polar droplets merging and also the fluid molecules interacting with a hydrophobic surface. Such behaviours and transport phenomena are popular in general microchannel flow boiling and two-phase flow. The droplets are assumed to be composed of Lennards-Jones type molecules. Periodic boundary conditions are applied in three coordinate directions of a 3-D system, where there exist two liquid droplets and their vapour. The two droplets merge when they come within the prescribed small distance. The merging of two droplets apart from each other at different initial distances is tested and the possible larger (or critical) non-dimensional distance, in which droplets merging can occur, is discussed. The evolution of the merging process is simulated numerically by employing the Molecular Dynamics (MD) method. For interactions with hydrophobic solid wall, a system with fluid confined between two walls is used to study the wetting phenomena of fluid and solid wall. The results are compared with those of hydrophilic wall to show the unique characteristics of hydrophobic interactions by microscopic methods. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Bionic Engineering Springer Journals

Molecular Dynamics Simulation of Behaviours of Non-Polar Droplets Merging and Interactions with Hydrophobic Surfaces

Yan, Y. Y.; Ji, C. Y.
Journal of Bionic Engineering , Volume 5 (4): 11 – Dec 1, 2008
Download PDF
11 pages

Loading next page...
 
/lp/springer-journals/molecular-dynamics-simulation-of-behaviours-of-non-polar-droplets-zPXl2hc6Qh

References (18)

Publisher
Springer Journals
Copyright
2008 Jilin University
ISSN
1672-6529
eISSN
2543-2141
DOI
10.1016/s1672-6529(08)60171-7
Publisher site
See Article on Publisher Site

Abstract

Abstract This paper presents a molecular dynamics simulation of the behaviours of non-polar droplets merging and also the fluid molecules interacting with a hydrophobic surface. Such behaviours and transport phenomena are popular in general microchannel flow boiling and two-phase flow. The droplets are assumed to be composed of Lennards-Jones type molecules. Periodic boundary conditions are applied in three coordinate directions of a 3-D system, where there exist two liquid droplets and their vapour. The two droplets merge when they come within the prescribed small distance. The merging of two droplets apart from each other at different initial distances is tested and the possible larger (or critical) non-dimensional distance, in which droplets merging can occur, is discussed. The evolution of the merging process is simulated numerically by employing the Molecular Dynamics (MD) method. For interactions with hydrophobic solid wall, a system with fluid confined between two walls is used to study the wetting phenomena of fluid and solid wall. The results are compared with those of hydrophilic wall to show the unique characteristics of hydrophobic interactions by microscopic methods.

Journal

Journal of Bionic Engineering – Springer Journals

Published: Dec 1, 2008

Keywords: biomedical engineering and bioengineering; biomaterials; artificial intelligence; biomedical engineering/biotechnology; biochemical engineering; bioinformatics

There are no references for this article.