| 학회 |
한국고분자학회 |
| 학술대회 |
2003년 가을 (10/10 ~ 10/11, 부경대학교) |
| 권호 |
28권 2호, p.79 |
| 발표분야 |
고분자 구조 및 물성 |
| 제목 |
Comparison of Conformational and Entanglement Characteristics of Ring and Linear Polyethylenes from Molecular Dynamics Simulations |
| 초록 |
Conformations and dynamics of polymer melts were extensively investigated and there were many attempts to explain the experiments with various theories. Polymer melts have many unique characteristics compared to polymer solutions, due to the fact that polymers are long linear molecules and hence they are subject to topological constraints. The topological constraints strongly affect both chain dynamics and equilibrium conformations. That is, entanglement phenomena in polymer melts have been modeled by the reptation theory and the ring polymers may exhibit more collapsed conformations in melts. In order to gain a better understanding of the topological effects in real polymers, we have carried out a detailed study of real polymer melt systems by comparing ring polyethylenes with linear counterparts employing molecular dynamics simulations and 1,5 phantom-chain Brownian dynamics simulations.
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| 저자 |
허가현1, Roland G. Winkler2, 윤도영1
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| 소속 |
1서울대, 2Institut fur Festkorperforschung Forschungszentrum Julich |
| 키워드 |
polyethylene; MD simulation; entanglement; ring polymer
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| E-Mail |
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