Abstract
Dissipative particle dynamics (DPD) is a mesoscopic simulation method for studying hydrodynamic behavior of complex fluids. Ideally, a mesoscopic model should correctly represent the thermo- and hydrodynamic properties of a real system beyond certain length and time scales. Traditionally defined DPD quite successfully mimics hydrodynamics, but is not flexible enough to accurately describe the thermodynamics of a real system. The so-called "multibody" DPD (MDPD) is a pragmatic extension of the classical DPD that allows one to prescribe the thermodynamic behavior of a system with only a small performance impact. Here we present a practical improvement to the "multibody" DPD model and test it on a number of single-component examples. We also generalize MDPD to multicomponent systems, which are an important target of DPD studies. The improved model provides a correction for particle correlations in strongly nonideal systems that were neglected in the original MDPD model. The implications of the coarse-graining procedure on the MDPD are discussed
Original language | English |
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Pages (from-to) | 9383-9394 |
Journal | Journal of Chemical Physics |
Volume | 117 |
Issue number | 20 |
DOIs | |
Publication status | Published - 2002 |