Navegação por Assunto "Transformações líquido-líquido"

Resultados 1-6 de 6

    • Core-softened fluids, water-like anomalies, and the liquid-liquid critical points 

      Torres, Evy Augusto Salcedo; Oliveira, Alan Barros de; Barraz Junior, Ney Marçal; Chakravarty, Charusita; Barbosa, Marcia Cristina Bernardes (2011) [Artigo de periódico]
      Molecular dynamics simulations are used to examine the relationship between water-like anomalies and the liquid-liquid critical point in a family of model fluids with multi-Gaussian, core-softened pair interactions. The ...

    • Diffusion anomaly and dynamic transitions in the Bell–Lavis water model 

      Szortyka, Marcia Martins; Fiore, Carlos Eduardo; Henriques, Vera Bohomoletz; Barbosa, Marcia Cristina Bernardes (2010) [Artigo de periódico]
      In this paper we investigate the dynamic properties of the minimal Bell–Lavis (BL) water model and their relation to the thermodynamic anomalies. The BL model is defined on a triangular lattice in which water molecules are ...

    • Dynamic transitions in a three dimensional associating lattice gas model 

      Szortyka, Marcia Martins; Girardi, Mauricio; Henriques, Vera Bohomoletz; Barbosa, Marcia Cristina Bernardes (2010) [Artigo de periódico]
      We investigate the thermodynamic and dynamic properties of a three dimensional associating lattice gas (ALG) model through Monte Carlo simulations. The ALG model combines a soft core potential and orientational degrees of ...

    • Dynamic transitions in a two dimensional associating lattice gas model 

      Szortyka, Marcia Martins; Henriques, Vera Bohomoletz; Girardi, Mauricio; Barbosa, Marcia Cristina Bernardes (2009) [Artigo de periódico]
      Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG ...

    • Liquid polymorphism, order-disorder transitions and anomalous behavior : a Monte Carlo study of the Bell-Lavis model for water 

      Fiore, Carlos Eduardo; Szortyka, Marcia Martins; Barbosa, Marcia Cristina Bernardes; Henriques, Vera Bohomoletz (2009) [Artigo de periódico]
      The Bell–Lavis model for liquid water is investigated through numerical simulations. The lattice-gas model on a triangular lattice presents orientational states and is known to present a highly bonded low density phase and ...

    • Thermodynamic, dynamic, structural, and excess entropy anomalies for core-softened potentials 

      Barraz Junior, Ney Marçal; Torres, Evy Augusto Salcedo; Barbosa, Marcia Cristina Bernardes (2011) [Artigo de periódico]
      Using molecular dynamic simulations, we study three families of continuous core-softened potentials consisting of two length scales: a shoulder scale and an attractive scale. All the families have the same slope between ...