Molecular dynamics simulations of wetting behavior of water droplets on polytetrafluorethylene surfaces

2014 ◽  
Vol 140 (11) ◽  
pp. 114704 ◽  
Author(s):  
Shuai Chen ◽  
Jiadao Wang ◽  
Tianbao Ma ◽  
Darong Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Droplets ◽  
Wetting Behavior ◽  
Dynamics Simulations

scholarly journals Glycine in aerosol water droplets: a critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations

2011 ◽  
Vol 11 (2) ◽  
pp. 519-527 ◽  
Author(s):  
X. Li ◽  
T. Hede ◽  
Y. Tu ◽  
C. Leck ◽  
H. Ågren
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Molecular Dynamics Simulations ◽  
Global Climate ◽  
Pure Water ◽  
Model Systems ◽  
Water Droplets ◽  
Cloud Droplets ◽  
Kohler Theory ◽  
Dynamics Simulations

Abstract. Aerosol particles in the atmosphere are important participants in the formation of cloud droplets and have significant impact on cloud albedo and global climate. According to the Köhler theory which describes the nucleation and the equilibrium growth of cloud droplets, the surface tension of an aerosol droplet is one of the most important factors that determine the critical supersaturation of droplet activation. In this paper, with specific interest to remote marine aerosol, we predict the surface tension of aerosol droplets by performing molecular dynamics simulations on two model systems, the pure water droplets and glycine in water droplets. The curvature dependence of the surface tension is interpolated by a quadratic polynomial over the nano-sized droplets and the limiting case of a planar interface, so that the so-called Aitken mode particles which are critical for droplet formation could be covered and the Köhler equation could be improved by incorporating surface tension corrections.

scholarly journals Glycine in aerosol water droplets: a critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations

2010 ◽  
Vol 10 (10) ◽  
pp. 23169-23196 ◽  
Author(s):  
X. Li ◽  
T. Hede ◽  
Y. Tu ◽  
C. Leck ◽  
H. Ågren
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Molecular Dynamics Simulations ◽  
Global Climate ◽  
Pure Water ◽  
Model Systems ◽  
Water Droplets ◽  
Cloud Droplets ◽  
Kohler Theory ◽  
Dynamics Simulations

Abstract. Aerosol particles in the atmosphere are important participants in the formation of cloud droplets and have significant impact on cloud albedo and global climate. According to the Köhler theory which describes the nucleation and the equilibrium growth of cloud droplets, the surface tension of an aerosol droplet is one of the most important factors that determine the critical supersaturation of droplet activation. In this paper, with specific interest to remote marine aerosol, we predict the surface tension of aerosol droplets by performing molecular dynamics simulations on two model systems; the pure water droplets and glycine in water droplets. The curvature dependence of the surface tension is interpolated by a quadratic polynomial over the nano-sized droplets and the limiting case of a planar interface, so that the so-called Aitken mode particles which are critical for droplet formation could be covered and the Köhler equation could be improved by incorporating surface tension corrections.

Molecular insight into the dynamical adsorption behavior of nanoscale water droplets on a heterogeneous surface

RSC Advances ◽  
2015 ◽  
Vol 5 (65) ◽  
pp. 52322-52329 ◽  
Author(s):  
Jun Zhang ◽  
Jie Zhong ◽  
Wen Li ◽  
Muhan Wang ◽  
Bing Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Adsorption Process ◽  
Hydrophobic Surface ◽  
Heterogeneous Surface ◽  
Adsorption Behavior ◽  
Water Droplets ◽  
Dynamics Simulations ◽  
Insight Into

A heterogeneous surface is constructed by adding one hydrophilic patch at the center of a hydrophobic surface, and the dynamical adsorption process of nanoscale water droplets is investigated adopting molecular dynamics simulations.

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