Dependence of thermodynamic properties of model systems on some dissipative particle dynamics parameters

A. Gama Goicochea, M. Romero-Bastida, R. López-Rendón

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

The influence of systematic perturbation of input interaction parameters on thermodynamic equilibrium properties is studied employing dissipative particle dynamics (DPD) simulations. The values of both the excess pressure and the surface tension are found to be very sensitive to the values of the soft repulsion parameter between unlike DPD particles for high values of the coarse-graining level (number of water molecules per DPD particle). For the case in which a molecular surfactant is present at the interface we have determined the dependence of these properties on the values of the parameters that characterize the bonding force between polymer beads. No significant differences were found between linear and branched surfactants.

Original languageEnglish
Pages (from-to)2375-2381
Number of pages7
JournalMolecular Physics
Volume105
Issue number17-18
DOIs
StatePublished - 25 Sep 2007
Externally publishedYes

Keywords

  • Dissipative particle dynamics
  • Molecular surfactant
  • Soft repulsion parameters
  • Surface tension

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