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 language | English |
|---|---|
| Article number | 043109 |
| Journal | Physical Review E |
| Volume | 95 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2017 Apr 24 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - Size dependence of static polymer droplet behavior from many-body dissipative particle dynamics simulation
AU - Kadoya, Naoki
AU - Arai, Noriyoshi
PY - 2017/4/24
Y1 - 2017/4/24
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85018596313&partnerID=8YFLogxK
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U2 - 10.1103/PhysRevE.95.043109
DO - 10.1103/PhysRevE.95.043109
M3 - Article
AN - SCOPUS:85018596313
VL - 95
JO - Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
JF - Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
SN - 1063-651X
IS - 4
M1 - 043109
ER -