Samenvatting
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.
Originele taal-2 | Engels |
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Artikelnummer | 40009 |
Pagina's (van-tot) | 1-6 |
Aantal pagina's | 6 |
Tijdschrift | EPL |
Volume | 102 |
Nummer van het tijdschrift | 4 |
DOI's | |
Status | Gepubliceerd - 2013 |