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Cited by 81Rheology and Fluid Dynamics StudiesAdvanced Physical and Chemical Molecular InteractionsMaterial Dynamics and Properties

The DOI matches its Crossref record; 49 of the 49 references it cites were found in a registry or an index.

Rod-like colloids and polymers in shear flow: a multi-particle-collision dynamics study

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Winkler, R G, Mussawisade, K, Ripoll, M, Gompper, G·2004·Journal of Physics: Condensed Matter
DOI 10.1088/0953-8984/16/38/012
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Abstract

The effect of the hydrodynamic interaction on the dynamics of flexible and rod-like polymers in solution is investigated. The solvent is simulated by the multi-particle-collision dynamics (MPCD) algorithm, a mesoscale simulation technique. The dynamics of the solvent is studied and the self-diffusion coefficient is calculated as a function of the mean free path of a particle. At small mean free paths, the hydrodynamic interaction strongly influences the dynamics of the fluid particles. This solvent model is then coupled to a molecular dynamics simulation algorithm. We obtain excellent agreement between our simulation results for a flexible polymer and the predictions of Zimm theory. The study of the translational diffusion coefficient of rod-like polymers confirms the predicted chain-length dependence. In addition, we study the influence of shear on the structural properties of rod-like polymers. For shear rates exceeding the rotational relaxation time, the rod-like molecule aligns with the shear flow, leading to an orientational symmetry breaking transverse to the flow direction. The comparison of the obtained shear rate dependencies with theoretical predictions exhibits significant deviations. The properties of the orientational tensor and the rotational velocity are discussed in detail as a function of shear rate.

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  • Some techniques have been developed recently to avoid modeling the solvent explicitly, such as dissipative particle dynamics, stochastic rotation dynamics and the lattice Boltzmann method.

    “In order to avoid modeling the solvent explicitly, some techniques have been developed recently, such as dissipative particle dynamics [362], stochastic rotation dynamics [363,364] and the lattice Boltzmann method [365,366].”

    From Challenges in Multiscale Modeling of Polymer Dynamics (2013) · cites this paper as [363]

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Research works printed but not linked: 1

  1. Ripoll M, 2004, Europhys. Lett.

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Metadata

Authors
Winkler, R. G., Mussawisade, K., Ripoll, M., & Gompper, G.
Affiliations
Forschungszentrum Jülich (DE)
Corresponding author
Mussawisade, K
ORCID
Venue
Journal of Physics: Condensed Matter
Publisher
IOP Publishing
Published
2004-09-11
Volume
16
Issue
38
Pages
S3941-S3954
ISSN
  • 0953-8984 (ISSN-L)
  • 1361-648X
DOI
10.1088/0953-8984/16/38/012
OpenAlex
W2073679260
Cited by
81
References
49
Citations by year
2026: 2 · 2025: 1 · 2024: 1 · 2023: 3 · 2022: 1 · 2021: 2 · 2020: 1 · 2019: 4 · 2018: 1 · 2017: 1 · 2016: 4 · 2015: 7 · 2014: 4 · 2013: 6 · 2012: 5
FWCI
8.34
Type
journal article
Language
en
Open access
Locations
  • Journal of Physics Condensed Matter (publishedVersion)
  • JuSER (Forschungszentrum Jülich) (submittedVersion)
Funders
Deutsche Forschungsgemeinschaft (SFB TR6)
Topics
  • Physical Sciences › Chemical Engineering › Fluid Flow and Transfer Processes › Rheology and Fluid Dynamics Studies
  • Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Advanced Physical and Chemical Molecular Interactions
  • Physical Sciences › Materials Science › Materials Chemistry › Material Dynamics and Properties
Keywords
rodlike polymers, flexible polymers, shear flow, hydrodynamic interactions, multiparticle collision dynamics, self-diffusion coefficient, mean free path, Zimm theory, translational diffusion coefficient, chain length dependence, rotational speed, polymer solution dynamics

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