Dynamics of a self-avoiding polymer chain in slit, tube, and cube confinements

被引:24
作者
Cui, Ting [1 ]
Ding, Jiandong [1 ]
Chen, Jeff Z. Y. [2 ]
机构
[1] Fudan Univ, Adv Mat Lab, Dept Macromol Sci, Key Lab Mol Engn Polymers,Minist Educ, Shanghai 200433, Peoples R China
[2] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada
来源
PHYSICAL REVIEW E | 2008年 / 78卷 / 06期
基金
加拿大自然科学与工程研究理事会;
关键词
Monte Carlo methods; polymers;
D O I
10.1103/PhysRevE.78.061802
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Monte Carlo simulations are presented for the observation of the dynamics of a self-avoiding polymer in three types of confinement: slit, tube, and cube. We pay special attention to the parameter regime where the characteristic confinement dimension is smaller than the radius of gyration of the unconfined polymer. On the basis of the bond-fluctuation model, we measured the rotation time of the end-to-end vector of the polymer, the diffusion time for the center of the polymer to move a distance comparable to the root mean square end-to-end distance, and the looping time for the ends of the polymer to approach each other from an open position. As functions of the confinement width and polymer length, these three time scales are discussed in light of scaling theories.
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页数:7
相关论文
共 43 条
  • [11] Cifra P, 1999, MACROMOL THEOR SIMUL, V8, P603, DOI 10.1002/(SICI)1521-3919(19991101)8:6<603::AID-MATS603>3.3.CO
  • [12] 2-B
  • [13] Mean first-passage times of looping of polymers with intrachain reactive monomers: Lattice Monte Carlo simulations
    Cui, Ting
    Ding, Jiandong
    Chen, Jeff Z. Y.
    [J]. MACROMOLECULES, 2006, 39 (16) : 5540 - 5545
  • [14] STATISTICS OF MACROMOLECULAR SOLUTIONS TRAPPED IN SMALL PORES
    DAOUD, M
    DEGENNES, PG
    [J]. JOURNAL DE PHYSIQUE, 1977, 38 (01): : 85 - 93
  • [15] De Gennes P.-G., 1993, SCALING CONCEPTS POL
  • [16] INTERDIFFUSION AND SELF-DIFFUSION IN POLYMER MIXTURES - A MONTE-CARLO STUDY
    DEUTSCH, HP
    BINDER, K
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (03) : 2294 - 2304
  • [17] Universal properties of a single polymer chain in slit: Scaling versus molecular dynamics simulations
    Dimitrov, D. I.
    Milchev, A.
    Binder, Kurt
    Klushin, Leonid I.
    Skvortsov, Alexander M.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (23)
  • [18] Doi M., 1988, THEORY POLYM DYNAMIC
  • [19] Relaxation of a polymer chain confined in a tube or a slit
    Hagita, K
    Takano, H
    [J]. JOURNAL DE PHYSIQUE IV, 2000, 10 (P7): : 305 - 308
  • [20] Relaxation of a polymer chain confined in a slit
    Hagita, K
    Koseki, S
    Takano, H
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1999, 68 (06) : 2144 - 2145