| 학회 |
한국고분자학회 |
| 학술대회 |
2010년 봄 (04/08 ~ 04/09, 대전컨벤션센터) |
| 권호 |
35권 1호 |
| 발표분야 |
신진연구자 특별 심포지움 |
| 제목 |
Ring polymer melts: molecular dynamics study |
| 초록 |
Molecular dynamics simulations were conducted to investigate the static and dynamic properties of ring polymer melts in comparison to linear polymer melts. Systems were composed of 200 chains at a number density of 0.85. With N denoting the number of beads in a chain, simulations were carried out with N = 100, 200, 400, and 800. For the ring polymers an additional simulation was conducted with N = 1600. The standard Kremer-Grest polymer model was modified by introducing a bending potential to make the chains stiffer. For each value of N, the ring polymers were found to have a higher chain diffusivity than their linear counterparts. While the ring polymers are found to have roughly spherical shapes, they display complex entanglements as revealed by a primitive path analysis. |
| 저자 |
이원보1, Jonathan Halverson2, Gary S. Grest3, Alexander Y. Grosberg4, Kurt Kremer2
|
| 소속 |
1서강대, 2Max Planck Institute for Polymer Research, 3Sandia National Laboratories, 4New York Univ. |
| 키워드 |
ring; melt; molecular dynamics
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| E-Mail |
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