Size dependence of static polymer droplet behavior from many-body dissipative particle dynamics simulation

Naoki Kadoya, Noriyoshi Arai

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We used molecular simulation to study the static behavior of polymer droplets in vacuum and on solid surfaces, namely the size of the droplet and the contact angle, respectively. The effects of the polymer chain length and the total number of particles were calculated by the many-body dissipative particle dynamics method. For the spherical droplet containing the same number of particles, we show that its radius depends on the polymer chain length. The radius of the droplet is also proportional to one-third power of the total number of particles for all given chain lengths. For the hemispherical droplet, the contact angle increases with the number of particles in the droplet, and this effect is relatively strong, especially for longer polymer chains. The effect of wettability of the solid surface was also investigated by using polymerphobic (low-affinity) and polymerphilic (high-affinity) surfaces. As the chain length increases, the contact angle on the low-affinity surface decreases, while that on the hydrophilic surface increases. The simulation reveals that there is a critical affinity for the monomer on the solid surface; above and below which the wettability increases and decreases as the molecular length increases, respectively.

Original languageEnglish
Article number043109
JournalPhysical Review E
Volume95
Issue number4
DOIs
Publication statusPublished - 2017 Apr 24
Externally publishedYes

Fingerprint

Dissipative Particle Dynamics
Dynamic Simulation
Droplet
Polymers
affinity
Affine transformation
solid surfaces
Contact Angle
polymers
Wettability
wettability
simulation
Radius
radii
Molecular Simulation
Decrease
monomers
Vacuum
Directly proportional
vacuum

ASJC Scopus subject areas

  • Statistics and Probability
  • Condensed Matter Physics
  • Statistical and Nonlinear Physics

Cite this

Size dependence of static polymer droplet behavior from many-body dissipative particle dynamics simulation. / Kadoya, Naoki; Arai, Noriyoshi.

In: Physical Review E, Vol. 95, No. 4, 043109, 24.04.2017.

Research output: Contribution to journalArticle

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