Some aspects of the methodology in Gibbs ensemble Monte Carlo simulations in connection with a model fluid of C60

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Abstract

Conventional and new versions of the Gibbs ensemble Monte Carlo technique existing for one-component systems were applied for the determination of the vapour-liquid coexistence in the model fluid of C60. Employing exact long range corrections for the model, no significant particle number dependence of the simulation results was found. The results confirm that a liquid phase may exist for this model.

Original languageEnglish
Pages (from-to)227-238
Number of pages12
JournalMolecular Simulation
Volume21
Issue number4
DOIs
Publication statusPublished - Jan 1 1999

Keywords

  • Fullerene
  • Gibbs ensemble
  • Monte carlo
  • Vapour-liquid equilibrium

ASJC Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Modelling and Simulation
  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics

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