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Computer simulation of dilute polymer solutions with the dissipative particle dynamics method
Abstract
A novel method of investigating the link between molecular features of polymer molecules and the rheological properties of dilute polymer solutions has been investigated. It applies the dissipative particle dynamics (DPD) computer simulation technique, which introduces a lattice‐gas automata time‐stepping procedure into a molecular‐dynamics scheme, to model bead‐and‐spring‐type representations of polymer chains. Investigations of static and dynamic scaling relationships show that the scaling of radius of gyration and relaxation time with the number of beads are consistent with the predictions of the Rouse–Zimm model. Both hydrodynamic interaction and excluded volume emerge naturally from the DPD polymer model, indicating that a realistic description of the dynamics of a dilute polymer solution can be obtained within this framework, and that very efficient computer simulations are possible.
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Cites
Scaling Concepts in Polymer Physics
de Gennes, P. G., & Witten, T. A. (1980) · Physics Today · doi:10.1063/1.2914118 · Cited by 9,348
Dynamic Simulations of Hard-Sphere Suspensions Under Steady Shear
Koelman, J. M. V. A., & Hoogerbrugge, P. J. (1993) · Europhysics Letters (EPL) · doi:10.1209/0295-5075/21/3/018 · Cited by 833
Self-citationDynamics of stiff polymer chains. I
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Relaxation of a single chain molecule in good solvent conditions by molecular-dynamics simulation
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Cited by
Milano, G., & Müller-Plathe, F. (2005) · The Journal of Physical Chemistry B · doi:10.1021/jp0523571 · Cited by 260
Milano, G., Goudeau, S., & Müller‐Plathe, F. (2005) · Journal of Polymer Science Part B: Polymer Physics · doi:10.1002/polb.20380 · Cited by 90
Coarse-grained modeling of polystyrene in various environments by iterative Boltzmann inversion
Bayramoglu, B., & Faller, R. (2012) · Macromolecules · doi:10.1021/ma301280b · Cited by 86
Rod-like colloids and polymers in shear flow: A multi-particle-collision dynamics study
Winkler, R. G., Mussawisade, K., Ripoll, M., & Gompper, G. (2004) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/16/38/012 · Cited by 81
Hierarchical simulation approach to structure and dynamics of polymers
Uhlherr, A., & Theodorou, D. N. (1998) · Current Opinion in Solid State and Materials Science · doi:10.1016/s1359-0286(98)80023-5 · Cited by 43
Metadata
- Authors
- Schlijper, A. G., Hoogerbrugge, P. J., & Manke, C. W.
- Venue
- Journal of Rheology
- Publisher
- Society of Rheology
- Published
- 1995-05
- Volume
- 39
- Issue
- 3
- Pages
- 567-579
- ISSN
- 0097-0360 (ISSN-L)
- 0148-6055
- 1520-8516
- OpenAlex
- W2009776840
- Cited by
- 288
- References
- 5
- FWCI
- 14.23
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Computer simulation of dilute polymer solutions with the dissipative particle dynamics method. https://app.cochat.ai/papers/10.1122/1.550713
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- Schlijper, A. G., Hoogerbrugge, P. J., & Manke, C. W. (1995). Computer simulation of dilute polymer solutions with the dissipative particle dynamics method. Journal of Rheology. https://doi.org/10.1122/1.550713
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