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We use Brownian dynamics to show: For an isolated polymer coil in a shear field, the Kirkwood-Riseman model for chain motion is qualitatively correct. Under the same circumstances the Rouse model for chain motion is qualitatively incorrect.…

Soft Condensed Matter · Physics 2024-09-20 George D. J. Phillies

We propose a theory of the dynamics of polymers in dilute solution, in which the popular Zimm and Rouse models are limiting cases of infinitely large and small draining parameter. The equation of motion for the polymer segments beads) is…

Soft Condensed Matter · Physics 2007-05-23 V. Lisy , J. Tothova , A. V. Zatovsky

Contrary to some expectations, an experimental finding for a polymer that the solution intrinsic viscosity $[\eta]$ or the melt viscosity is linear in the polymer molecular weight $M$ does not indicate that polymer dynamics are Rouselike.…

Soft Condensed Matter · Physics 2021-05-03 George D. J. Phillies

The dynamics of flexible polymers in dilute solution is usually described in terms of the pure Rouse or Zimm bead-spring models assuming continuous distribution of the internal relaxation modes. We show that this approach may lead to…

Soft Condensed Matter · Physics 2007-05-23 J. Tothova , B. Brutovsky , V. Lisy

The dynamics of ring polymer melts are studied via molecular dynamics simulations of the Kremer-Grest bead-spring model. Rouse mode analysis is performed in comparison with linear polymers by changing the chain length. Rouse-like behavior…

Soft Condensed Matter · Physics 2021-09-23 Shota Goto , Kang Kim , Nobuyuki Matubayasi

Following the Flory ideality hypothesis intrachain and interchain excluded volume interactions are supposed to compensate each other in dense polymer systems. Multi-chain effects should thus be neglected and polymer conformations may be…

Soft Condensed Matter · Physics 2009-11-13 H. Meyer , J. P. Wittmer , T. Kreer , P. Beckrich , A. Johner , J. Farago , J. Baschnagel

Using a lattice-based Monte Carlo code for simulating self-avoiding flexible polymers in three dimensions in the absence of explicit hydrodynamics, we study their Rouse modes. For self-avoiding polymers, the Rouse modes are not expected to…

Soft Condensed Matter · Physics 2009-10-20 Debabrata Panja , Gerard T. Barkema

The file is a Chapter from my review volume "Polymer Physics: Phenomenology of Polymeric Fluid Simulations". The chapter treats literature tests of the Rouse model, which is widely invoked as a description of polymer motion in melts. In…

Soft Condensed Matter · Physics 2024-08-27 George D. J. Phillies

Polymer melts with chains undergoing reversible crosslinking have distinctively favorable dynamic properties, e.g., self healing and reprocessability. In these situations there are two relevant elementary time scales: the segmental and the…

Soft Condensed Matter · Physics 2025-03-14 Rahul Karmakar , Srikanth Sastry , Sanat K. Kumar , Tarak K. Patra

Generalization of the Rouse model without any use of the postulates concerning the Gaussian distribution of the vector connecting the ends of segments is advanced. In the initial (in general, nonlinear) Langevin equations, self-averaging…

Soft Condensed Matter · Physics 2016-11-27 Nail Fatkullin

It is shown that the traditionally accepted "Rouse values" for the critical exponents at the gelation transition do not arise from the Rouse model for gelling polymers. The true critical behaviour of the Rouse model for gelling polymers is…

Statistical Mechanics · Physics 2007-05-23 Peter Müller

We investigate the kinetics of loop formation in flexible ideal polymer chains (Rouse model), and polymers in good and poor solvents. We show for the Rouse model, using a modification of the theory of Szabo, Schulten, and Schulten, that the…

Soft Condensed Matter · Physics 2007-11-13 Ngo Minh Toan , Greg Morrison , Changbong Hyeon , D. Thirumalai

The Rouse model can be regarded as the standard model to describe the dynamics of a short polymer chain under melt conditions. In this contribution, we explicitly check one of the fundamental assumptions of this model, namely that of a…

Soft Condensed Matter · Physics 2014-10-14 Diddo Diddens , Andreas Heuer

The theory of the dynamics of polymers in solution is developed coming from the hydrodynamic theory of the Brownian motion (BM) and the Rouse-Zimm (RZ) model. It is shown that the time correlation functions describing the polymer motion…

Soft Condensed Matter · Physics 2007-05-23 V. Lisy , J. Tothova , B. Brutovsky , A. V Zatovsky

In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynamics (MD) model for the polymer chain. The two parts are…

Soft Condensed Matter · Physics 2009-10-31 Patrick Ahlrichs , Burkhard Duenweg

The dynamics of flexible polymers in dilute solutions is studied taking into account the hydrodynamic memory, as a consequence of fluid inertia. As distinct from the Rouse-Zimm (RZ) theory, the Boussinesq friction force acts on the monomers…

Soft Condensed Matter · Physics 2009-11-10 V. Lisy , J. Tothova , A. V. Zatovsky

By means of computer simulations, we investigate the relaxation of the Rouse modes in a simple bead-spring model for non-entangled polymer blends. Two different models are used for the fast component, namely fully-flexible and semiflexible…

Soft Condensed Matter · Physics 2015-05-20 Marco Bernabei , Angel J. Moreno , Juan Colmenero

We extend the Rouse model of polymer dynamics to situations of non-stationary chain growth. For a dragged polymer chain of length $N(t) = t^\alpha$, we find two transitions in conformational dynamics. At $\alpha= 1/2$, the propagation of…

Soft Condensed Matter · Physics 2016-07-25 Ali Malek , Reiner Kree

We study single-chain motion in semidilute solutions of polymers of length N = 1000 with excluded-volume and hydrodynamic interactions by a novel algorithm. The crossover length of the transition from Zimm (short lengths and times) to Rouse…

Soft Condensed Matter · Physics 2009-10-31 Patrick Ahlrichs , Ralf Everaers , Burkhard Duenweg

The static and dynamic properties of a cyclic Rouse chain modified by the introduction of an effective, spherically symmetric, attracting potential of entropic nature is studied. It is shown that a relatively weak potential can lead to a…

Soft Condensed Matter · Physics 2025-02-26 Nail Fatkullin , Carlos Mattea , Kevin Lindt , Siegfried Stapf , Margarita Kruteva
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