Dissipative particle dynamics for interacting systems
By I. Pagonabarraga, D. Frenkel. 2001
300 citations recorded by the source corpus.
We introduce a dissipative particle dynamics scheme for the dynamics of nonideal fluids. Given a free-energy density that determines the thermodynamics of the system, we derive consistent conservative forces. The use of these effective, density dependent forces reduces the local structure as compared to previously proposed models. This is an important feature in mesoscopic modeling, since it ensures a realistic length and time scale separation in coarse-grained models. We consider in detail the behavior of a van der Waals fluid and a binary mixture with a miscibility gap. We discuss the physical implications of having a single length scale characterizing the interaction range, in particular for the interfacial properties.
Subfields: Condensed Matter Physics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/0e6d2bde71aaa1408676e337c6751e7f35c90f49
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In Condensed Matter Physics
In Materials Chemistry
Citations in the corpus
- Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures (2002, methodology): “The precise form of the local density-dependent conservative forces is chosen on the basis of the desired thermodynamic behavior using the procedure due to Pagonabarraga and Frenkel [27], which we will present here (an interesting alternative physical interpretation of essentially the same MDPD math”
- Classical dynamical density functional theory: from fundamentals to applications (2020, methodology): “Compared to dissipative particle dynamics [764–768], which is another method for simulating fluids on the mesoscale, DDFT is applicable down to microscopic scales [769].”