Numerical study of dilute polymer solutions using FENE bead-spring chain model

被引:1
|
作者
Min Zhiyu [1 ]
Cao Wei [1 ]
Shen Changyu [1 ]
机构
[1] Zhengzhou Univ, Natl Engn Res Ctr Adv Polymer Proc Technol, Zhengzhou 450002, Peoples R China
关键词
Brownian dynamics; dilute polymer solutions; FENE bead-spring model; molecular configuration; shear flow;
D O I
10.1080/03602550802059808
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The numerical solution of viscoelastic fluid problems in complex geometries and free solutions has been an area of extensive research in polymer fluid mechanics. The governing equation for polymer chains was in terms of Brownian dynamics and finitely extensible nonlinear elastic (FENE). Explicit and semi-implicit predictor-corrector algorithms were employed to solve the Brownian dynamics problem. After all the chain displacements have been determined, the stress tensor will be calculated with the ensemble average technique. Molecular configurations, such as the maximum length of the molecular chain along the flow direction, the angle between molecular chain and the flow direction, and the mean configuration thickness of the molecule in the velocity gradient direction, are also calculated. In the procedure, the governing equation of the displacement of chain has been made dimensionless.
引用
收藏
页码:630 / 634
页数:5
相关论文
共 50 条
  • [41] Critical test of bead-spring model to resolve the scaling laws of polymer melts: a molecular dynamics study
    Takahashi, Kazuaki Z.
    Yamato, Nobuyoshi
    Yasuoka, Kenji
    Masubuchi, Yuichi
    [J]. MOLECULAR SIMULATION, 2017, 43 (13-16) : 1196 - 1201
  • [42] Enhancing Heterogenous Crystallization Resistance in a Bead-Spring Polymer Model by Modifying Bond Length
    Mackura, Mark E.
    Simmons, David S.
    [J]. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 2014, 52 (02) : 134 - 140
  • [43] Numerical analysis of poiseuille flow of polymeric liquid by means of a bead-spring macro model
    Ishikawa, Takuji
    Kawabata, Nobuyoshi
    Shimizu, Hirohito
    Fujita, Katsushi
    [J]. Nippon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B, 2002, 68 (676): : 3266 - 3272
  • [44] Alternative spring force law for bead-spring chain models of the worm-like chain
    Underhill, Patrick T.
    Doyle, Patrick S.
    [J]. JOURNAL OF RHEOLOGY, 2006, 50 (04) : 513 - 529
  • [45] Added stresses because of the presence of FENE-P bead-spring chains in a random velocity field
    Massah, H
    Hanratty, TJ
    [J]. JOURNAL OF FLUID MECHANICS, 1997, 337 : 67 - 101
  • [46] Deterministic particle approach of Multi Bead-Spring polymer models
    Ammar, Amine
    Chinesta, Francisco
    Ryckelynck, David
    [J]. EUROPEAN JOURNAL OF COMPUTATIONAL MECHANICS, 2006, 15 (05): : 481 - 494
  • [47] Using spring repulsions to model entanglement interactions in Brownian dynamics simulations of bead-spring chains
    Holleran, Sean P.
    Larson, Ronald G.
    [J]. RHEOLOGICA ACTA, 2008, 47 (01) : 3 - 17
  • [48] BEAD-SPRING MODEL FOR ADSORBED POLYMER-CHAINS IN SHEAR-FLOW - HYDRODYNAMIC INTERACTION
    GOH, CJ
    PHANTHIEN, N
    ATKINSON, JD
    [J]. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 1985, 23 (04) : 695 - 707
  • [49] Brownian dynamics simulation of a bead-spring chain model with configuration-dependent anisotropic mobility
    Biller, P.
    [J]. CONTINUUM MECHANICS AND THERMODYNAMICS, 1989, 1 (01) : 53 - 72
  • [50] Multiscale SPH simulations of viscoelastic injection molding processes based on bead-spring chain model
    Xu, Xiaoyang
    Tian, Lingyun
    Yu, Peng
    [J]. ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS, 2023, 149 : 213 - 230