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Reptational dynamics in dissipative particle dynamics simulations of polymer melts

P. Nikunen·I. Vattulainen·M. Karttunen
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Abstract

Understanding the complex viscoelastic properties of polymeric liquids remains a challenge in materials science and soft matter physics. Here, we present a simple and computationally efficient criterion for the topological constraints in polymeric liquids using the Dissipative Particle Dynamics (DPD). The same approach is also applicable in other soft potential models. For short chains the model correctly reproduces Rouse-like dynamics whereas for longer chains the dynamics becomes reptational as the chain length is increased - something that is not attainable using standard DPD or other coarse-grained soft potential methods. Importantly, no new length scales or forces need to be added.

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P. Nikunen, I. Vattulainen, M. Karttunen. 2005-12-12. Reptational dynamics in dissipative particle dynamics simulations of polymer melts. https://arxiv.org/abs/cond-mat/0512248

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