| 학회 |
한국공업화학회 |
| 학술대회 |
2017년 봄 (05/10 ~ 05/12, 광주 김대중컨벤센센터(Kimdaejung Convention Center)) |
| 권호 |
21권 1호 |
| 발표분야 |
고분자 |
| 제목 |
Fundamental study of ring polymer melts under shear and elongation flows via atomistic nonequilibrium molecular dynamics |
| 초록 |
We display detailed results for the structural and rheological properties of unknotted and unconcatenated ring polyethylene melts under shear and elongation flows via direct atomistic nonequilibrium molecular dynamics simulations. Short and long ring PE melts were observed under planar Couette flow (PCF) and planar elongational flow (PEF) through a comparison with the corresponding linear polymers. We found that ring melts exhibit a considerably lesser degree of structural deformation with respect to the applied flow strength in comparison to their linear polymers. The large structural resistance of ring polymers against an external flow field is attributed to the intrinsic closed-loop configuration of the ring polymers with the constraint that molecules cannot cross each other in the melt systems. The findings in this work would be a useful guide in future exploration of the dynamical and relaxation mechanisms of ring polymers in bulk or confined systems under flowing conditions. |
| 저자 |
김진성, 윤정하, 백충기
|
| 소속 |
울산과학기술원 |
| 키워드 |
Ring polymer; NEMD; Shear flow; Elongation flow
|
| E-Mail |
|
