Phase behavior of the lattice restricted primitive model with nearest neighbor exclusion

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Abstract

The global phase behavior of the lattice restricted primitive model with nearest neighbor exclusion has been studied by grand canonical Monte Carlo simulations. The phase diagram is dominated by a fluid (or charge-disordered solid) to charge-ordered solid transition that terminates at the maximum density ρ max* =2 and reduced temperature T* ≈0.29. At that point, there is a first-order phase transition between two phases of the same density, one charge-ordered, and the other charge-disordered. The liquid-vapor transition for the model is metastable, lying entirely within the fluid-solid phase envelope.

Original languageEnglish (US)
Article number194509
JournalJournal of Chemical Physics
Volume124
Issue number19
DOIs
StatePublished - May 21 2006

All Science Journal Classification (ASJC) codes

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

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