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Intramolecular coupling as a mechanism for a liquid-liquid phase transition

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  • Additional Information
    • Contributors:
      Universitat de Barcelona
    • Publication Information:
      Preprint
    • Publication Information:
      American Physical Society (APS), 2003.
    • Publication Date:
      2003
    • Abstract:
      We study a model for water with a tunable intra-molecular interaction $J_��$, using mean field theory and off-lattice Monte Carlo simulations. For all $J_��\geq 0$, the model displays a temperature of maximum density.For a finite intra-molecular interaction $J_��> 0$,our calculations support the presence of a liquid-liquid phase transition with a possible liquid-liquid critical point for water, likely pre-empted by inevitable freezing. For J=0 the liquid-liquid critical point disappears at T=0.
      8 pages, 4 figures
    • File Description:
      application/pdf
    • ISSN:
      1095-3787
      1063-651X
    • Accession Number:
      10.1103/physreve.67.011103
    • Accession Number:
      10.48550/arxiv.cond-mat/0112341
    • Rights:
      APS Licenses for Journal Article Re-use
      CC 0
      arXiv Non-Exclusive Distribution
    • Accession Number:
      edsair.doi.dedup.....c6babbbb7c3fc2f1da2522b0c9a654d0