Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations

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Abstract

The surface tension of the full three-dimensional Lennard-Jones potential is calculated from grand canonical Monte Carlo simulations with the finite-size scaling methodology outlined by Binder [Phys. Rev. A 25, 1699 (1982)]. Surface tensions are determined for the range of reduced temperatures T* = 0.95-1.312 and are found to be in good agreement with molecular-dynamics calculations. A critical temperature T*c= 1.311 ± 0.002 is established by locating the T* where the surface tension of the infinite system size vanishes. In addition, with this method it is possible to determine the critical exponent 2ν. For the Lennard-Jones fluid we found 2ν=1.42 ± 0.08, which differs from the accepted value of 2ν= 1.26.

Original languageEnglish (US)
Pages (from-to)6411-6415
Number of pages5
JournalJournal of Chemical Physics
Volume112
Issue number14
DOIs
StatePublished - Apr 8 2000
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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