Dissipative particle dynamics simulations of polymer chains: Scaling laws and shearing response compared to DNA experiments

被引:106
|
作者
Symeonidis, V [1 ]
Karniadakis, GE
Caswell, B
机构
[1] Brown Univ, Div Appl Math, Providence, RI 02912 USA
[2] Brown Univ, Div Engn, Providence, RI 02912 USA
关键词
D O I
10.1103/PhysRevLett.95.076001
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Dissipative particle dynamics simulations of several bead-spring representations of polymer chains in dilute solution are used to demonstrate the correct static scaling laws for the radius of gyration. Shear flow results for the wormlike chain simulating single DNA molecules compare well with average extensions from experiments, irrespective of the number of beads. However, coarse graining with more than a few beads degrades the agreement of the autocorrelation of the extension.
引用
收藏
页数:4
相关论文
共 46 条
  • [1] Scaling laws for polymers in dissipative particle dynamics
    Spenley, NA
    EUROPHYSICS LETTERS, 2000, 49 (04): : 534 - 540
  • [2] Dissipative particle dynamics simulations of grafted polymer chains between two walls
    Malfreyt, P
    Tildesley, DJ
    LANGMUIR, 2000, 16 (10) : 4732 - 4740
  • [3] DISSIPATIVE PARTICLE DYNAMICS SIMULATIONS OF FLUID-DRIVEN POLYMER CHAINS THROUGH A MICROCHANNEL
    Guo Jiayi
    Li Xuejin
    Liang Haojun
    ACTA POLYMERICA SINICA, 2012, (02) : 160 - 167
  • [4] Reptational dynamics in dissipative particle dynamics simulations of polymer melts
    Nikunen, Petri
    Vattulainen, Ilpo
    Karttunen, Mikko
    PHYSICAL REVIEW E, 2007, 75 (03)
  • [5] Dissipative particle dynamics simulations of polymer brushes: Comparison with molecular dynamics simulations
    Pal, Sandeep
    Seidel, Christian
    MACROMOLECULAR THEORY AND SIMULATIONS, 2006, 15 (09) : 668 - 673
  • [6] Universal scaling laws in droplet coalescence: A dissipative particle dynamics study
    Akella, V. S.
    Gidituri, Harinadha
    CHEMICAL PHYSICS LETTERS, 2020, 758
  • [7] Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics
    Litvinov, Sergey
    Xie, Qingguang
    Hu, Xiangyu
    Adams, Nikolaus
    Ellero, Marco
    FLUIDS, 2016, 1 (01):
  • [8] How does the scaling for the polymer chain in the dissipative particle dynamics hold?
    Ilnytskyi, J. M.
    Holovatch, Yu.
    CONDENSED MATTER PHYSICS, 2007, 10 (04) : 539 - 551
  • [9] Scaling Behavior of Nafion with Different Model Parameterizations in Dissipative Particle Dynamics Simulations
    Liu, Hongjun
    Cavaliere, Sara
    Jones, Deborah J.
    Roziere, Jacques
    Paddison, Stephen J.
    MACROMOLECULAR THEORY AND SIMULATIONS, 2018, 27 (04)
  • [10] Scaling behaviour of different polymer models in dissipative particle dynamics of unentangled melts
    Posel, Zbysek
    Rousseau, Bernard
    Lisal, Martin
    MOLECULAR SIMULATION, 2014, 40 (15) : 1274 - 1289