A generalized method for parameterization of dissipative particle dynamics for variable bead volumes

KAÇAR G., Peters E., De With G.

EPL, vol.102, no.4, 2013 (SCI-Expanded, Scopus) identifier identifier

  • Publication Type: Article / Article
  • Volume: 102 Issue: 4
  • Publication Date: 2013
  • Doi Number: 10.1209/0295-5075/102/40009
  • Journal Name: EPL
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Trakya University Affiliated: No

Abstract

We present a generalized protocol to compute dissipative particle dynamics interaction parameters where beads may have variable (local) densities in the simulations. A generalized relationship for pair-wise interactions is derived and proof-of-concept simulations are performed. In this general relation, excess repulsions are related to the experimental Flory-Huggins parameters for any molar volume ratio of beads. © Copyright EPLA, 2013.