Dissipative particle dynamics for interacting systems

Citation
I. Pagonabarraga et D. Frenkel, Dissipative particle dynamics for interacting systems, J CHEM PHYS, 115(11), 2001, pp. 5015-5026
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
11
Year of publication
2001
Pages
5015 - 5026
Database
ISI
SICI code
0021-9606(20010915)115:11<5015:DPDFIS>2.0.ZU;2-1
Abstract
We introduce a dissipative particle dynamics scheme for the dynamics of non ideal fluids. Given a free-energy density that determines the thermodynamic s of the system, we derive consistent conservative forces. The use of these effective, density dependent forces reduces the local structure as compare d 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 Waa ls fluid and a binary mixture with a miscibility gap. We discuss the physic al implications of having a single length scale characterizing the interact ion range, in particular for the interfacial properties. (C) 2001 American Institute of Physics.