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

Nicolas Moreno Chaparro, Suzana Pereira Nunes, Victor M. Calo

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations

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.
Original languageEnglish (US)
Title of host publicationProcedia Computer Science
PublisherElsevier BV
Pages728-739
Number of pages12
DOIs
StatePublished - Jun 6 2014

Fingerprint

Dive into the research topics of 'Restrictions in Model Reduction for Polymer Chain Models in Dissipative Particle Dynamics'. Together they form a unique fingerprint.

Cite this