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.
| Original language | English |
|---|---|
| Article number | 40009 |
| Pages (from-to) | 1-6 |
| Number of pages | 6 |
| Journal | EPL |
| Volume | 102 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2013 |