Hauptseite > Publikationsdatenbank > Dynamics of Polymers in a Particle-Based Mesoscopic Solvent > print

001     46511
005     20240610120408.0
017 _ _ |a This version is available at the following Publisher URL: http://jcp.aip.org
024 7 _ |a pmid:16238422
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024 7 _ |a 10.1063/1.2041527
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024 7 _ |a 2128/1521
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037 _ _ |a PreJuSER-46511
041 _ _ |a eng
082 _ _ |a 540
084 _ _ |2 WoS
|a Physics, Atomic, Molecular & Chemical
100 1 _ |a Mussawisade, K.
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245 _ _ |a Dynamics of Polymers in a Particle-Based Mesoscopic Solvent
260 _ _ |a Melville, NY
|b American Institute of Physics
|c 2005
300 _ _ |a 144905
336 7 _ |a Journal Article
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440 _ 0 |a Journal of Chemical Physics
|x 0021-9606
|0 3145
|v 123
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a We study the dynamics of flexible polymer chains in solution by combining multiparticle-collision dynamics (MPCD), a mesoscale simulation method, and molecular-dynamics simulations. Polymers with and without excluded-volume interactions are considered. With an appropriate choice of the collision time step for the MPCD solvent, hydrodynamic interactions build up properly. For the center-of-mass diffusion coefficient, scaling with respect to polymer length is found to hold already for rather short chains. The center-of-mass velocity autocorrelation function displays a long-time tail which decays algebraically as (Dt)(-3/2) as a function of time t, where D is the diffusion coefficient. The analysis of the intramolecular dynamics in terms of Rouse modes yields excellent agreement between simulation data and results of the Zimm model for the mode-number dependence of the mode-amplitude correlation functions.
536 _ _ |a Kondensierte Materie
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588 _ _ |a Dataset connected to Web of Science, Pubmed
650 _ 7 |a J
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700 1 _ |a Ripoll, M.
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700 1 _ |a Winkler, R. G.
|b 2
|u FZJ
|0 P:(DE-Juel1)131039
700 1 _ |a Gompper, G.
|b 3
|u FZJ
|0 P:(DE-Juel1)130665
773 _ _ |a 10.1063/1.2041527
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856 7 _ |u http://dx.doi.org/10.1063/1.2041527
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