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

KAÇAR G., Peters E., De With G.

EPL, cilt.102, sa.4, 2013 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 102 Sayı: 4
  • Basım Tarihi: 2013
  • Doi Numarası: 10.1209/0295-5075/102/40009
  • Dergi Adı: EPL
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Trakya Üniversitesi Adresli: Hayır

Özet

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.