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Dissipative particle dynamics for interacting systems

J. Chem. Phys. 115, 5015 (2001); doi:10.1063/1.1396848

Issue Date: 15 September 2001

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I. Pagonabarraga and D. Frenkel
FOM-Institute for Atomic and Molecular Physics (AMOLF), Kruislaan 407, 1098 SJ Amsterdam, The Netherlands
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. ©2001 American Institute of Physics.
History: Received 13 December 2000; accepted 3 July 2001
Permalink: http://link.aip.org/link/?JCPSA6/115/5015/1
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KEYWORDS and PACS

Keywords
PACS
  • 61.20.-p
    Structure of solids and liquids; crystallography Structure of liquids
  • 65.20.+w
    Thermal properties of condensed matter Thermal properties of liquids: heat capacity, thermal expansion, etc.
  • 64.75.+g
    Equations of state, phase equilibria, and phase transitions Solubility, segregation, and mixing; phase separation
  • YEAR: 2001

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (27)
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