Restrictions in Model Reduction for Polymer Chain Models in Dissipative Particle Dynamics

Abstract We model high molecular weight homopolymers in semidilute concentration via Dissipative Particle Dynamics (DPD). We show that in model reduction methodologies for polymers it is not enough to preserve system properties (i.e., density ρ, pressure p, temperature T, radial distribution function g(r)) but preserving also the characteristic shape and length scale of the polymer chain model is necessary. In this work we apply a DPD-model-reduction methodology for linear polymers recently proposed; and demonstrate why the applicability of this methodology is limited upto certain maximum polymer length, and not suitable for solvent coarse graining.

• Publication year

  2014

• Venue

  International Conference on Conceptual Structures

• Publication date

  Unknown publication date

• Fields of study

  Materials Science, Physics, Computer Science

• Identifiers
  DOI 10.1016/j.procs.2014.05.065
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

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