A generalized method for parameterization of dissipative particle dynamics for variable bead volumes
EPL, cilt.102, sa.4, 2013 (SCI-Expanded, Scopus)
- 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.