Development of Entanglements in a Fully Disentangled Polymer Melt

被引:28
作者
Vettorel, Thomas [1 ]
Kremer, Kurt [1 ]
机构
[1] Max Planck Inst Polymer Res, D-55128 Mainz, Germany
关键词
entanglements; mechanical properties; melt; molecular dynamics; relaxation; MOLECULAR-DYNAMICS; SIMULATION; COLLAPSE; PACKAGE; GROMACS;
D O I
10.1002/mats.200900065
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
A long-lived metastable "new melt" state of polymers has been recently reported, where monomers exhibit different mobilities due to an unusual distribution of entanglements. We study the relaxation of (fully disentangled) globules to the entangled state by means of computer simulations, and compare our data to the scenario of de Gennes' explosion upon melting. The entanglement length N-e is measured using the primitive path analysis method. The results show that in the case of relatively short chains (N approximate to 20N(e)), the relaxation of the entanglement length is very fast compared to that of the chains' size which slows down as the chain length N exceeds the equilibrium value of N-e.
引用
收藏
页码:44 / 56
页数:13
相关论文
共 25 条
  • [1] Equilibration of long chain polymer melts in computer simulations
    Auhl, R
    Everaers, R
    Grest, GS
    Kremer, K
    Plimpton, SJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (24) : 12718 - 12728
  • [2] A NEUTRON-SCATTERING STUDY OF THE MELTING BEHAVIOR OF POLYETHYLENE SINGLE-CRYSTALS
    BARHAM, PJ
    SADLER, DM
    [J]. POLYMER, 1991, 32 (03) : 393 - 395
  • [3] GROMACS - A MESSAGE-PASSING PARALLEL MOLECULAR-DYNAMICS IMPLEMENTATION
    BERENDSEN, HJC
    VANDERSPOEL, D
    VANDRUNEN, R
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 1995, 91 (1-3) : 43 - 56
  • [4] KINETICS OF COLLAPSE FOR A FLEXIBLE COIL
    DEGENNES, PG
    [J]. JOURNAL DE PHYSIQUE LETTRES, 1985, 46 (14): : L639 - L642
  • [5] DEGENNES PG, 1995, CR ACAD SCI II B, V321, P363
  • [6] Rheology and microscopic topology of entangled polymeric liquids
    Everaers, R
    Sukumaran, SK
    Grest, GS
    Svaneborg, C
    Sivasubramanian, A
    Kremer, K
    [J]. SCIENCE, 2004, 303 (5659) : 823 - 826
  • [7] STRUCTURE OF MANY-ARM STAR POLYMERS - A MOLECULAR-DYNAMICS SIMULATION
    GREST, GS
    KREMER, K
    WITTEN, TA
    [J]. MACROMOLECULES, 1987, 20 (06) : 1376 - 1383
  • [8] MOLECULAR-DYNAMICS SIMULATION FOR POLYMERS IN THE PRESENCE OF A HEAT BATH
    GREST, GS
    KREMER, K
    [J]. PHYSICAL REVIEW A, 1986, 33 (05): : 3628 - 3631
  • [9] RELAXATION OF SELF-ENTANGLED MANY-ARM STAR POLYMERS
    GREST, GS
    KREMER, K
    MILNER, ST
    WITTEN, TA
    [J]. MACROMOLECULES, 1989, 22 (04) : 1904 - 1910
  • [10] THE ROLE OF TOPOLOGICAL CONSTRAINTS IN THE KINETICS OF COLLAPSE OF MACROMOLECULES
    GROSBERG, AY
    NECHAEV, SK
    SHAKHNOVICH, EI
    [J]. JOURNAL DE PHYSIQUE, 1988, 49 (12): : 2095 - 2100