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Structure and Dynamics of Dilute Two-Dimensional Ring Polymer Solutions
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  • Structure and Dynamics of Dilute Two-Dimensional Ring Polymer Solutions
  • Structure and Dynamics of Dilute Two-Dimensional Ring Polymer Solutions
저자명
Oh. Young-Hoon,Cho. Hyun-Woo,Kim. Jeong-Min,Park. Chang-Hyun,Sung. Bong-June
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2012년|33권 3호|pp.975-979 (5 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Structure and Dynamics of dilute two-dimensional (2D) ring polymer solutions are investigated by using discontinuous molecular dynamics simulations. A ring polymer and solvent molecules are modeled as a tangent-hard disc chain and hard discs, respectively. Some of solvent molecules are confined inside the 2D ring polymer unlike in 2D linear polymer solutions or three-dimensional polymer solutions. The structure and the dynamics of the 2D ring polymers change significantly with the number ($N_{in}$) of such solvent molecules inside the 2D ring polymers. The mean-squared radius of gyration ($R^2$) increases with $N_{in}$ and scales as $R{sim}N^{ u}$ with the scaling exponent $ u$ that depends on $N_{in}$. When $N_{in}$ is large enough, ${ u}{approx}1$, which is consistent with experiments. Meanwhile, for a small $N_{in}{approx}0.66$ and the 2D ring polymers show unexpected structure. The diffusion coefficient (D) and the rotational relaxation time ($ au_{rot}$) are also sensitive to $N_{in}$: D decreases and $ au$ increases sharply with $N_{in}$. D of 2D ring polymers shows a strong size-dependency, i.e., D ~ ln(L), where L is the simulation cell dimension. But the rotational diffusion and its relaxation time ($ au_{rot}$) are not-size dependent. More interestingly, the scaling behavior of $ au_{rot}$ also changes with $N_{in}$; for a large $N_{in}$ $ au_{rot}{sim}N^{2.46}$ but for a small $N_{in}$ $ au_{rot}{sim}N^{1.43}$.