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Interaction and Multiscale Mechanics
  Volume 5, Number 4, December 2012, pages 399-405
open access

Surface wettability and contact angle analysis by dissipative particle dynamics
Tzung-Han Lin, Wen-Pin Shih and Chuin-Shan Chen

    A dissipative particle dynamics (DPD) simulation was presented to analyze surface wettability and contact angles of a droplet on a solid platform. The many-body DPD, capable of modeling vapor-liquid coexistence, was used to resolve the vapor-liquid interface of a droplet. We found a constant density inside a droplet with a transition along the droplet boundary where the density decreased rapidly. The contact angle of a droplet was extracted from the isosurfaces of the density generated by the marching cube and a spline interpolation of 2D cutting planes of the isosurfaces. A wide range of contact angles from 55o to 165o predicted by the normalized parameter (|ASL|/BSL) were reported. Droplet with the parameters |ASL| > 5.84BSL0.297 was found to be hydrophilic. If |ASL| was much smaller than 5.84BSL0.297, the droplet was found to be superhydrophobic.
Key Words
    dissipative particle dynamics; contact angle; surface wettability; hydrophilic; hydrophobic.
Tzung-Han Lin and Wen-Pin Shih: Department of Mechanical Engineering, National Taiwan University, Taipei, Taiwan; Chuin-Shan Chen: Department of Civil Engineering, National Taiwan University, Taipei, Taiwan

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