Navegação Ciências Exatas e da Terra por Autor "Szortyka, Marcia Martins"

Resultados 1-7 de 7

    • 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 ...

    • Hydration and anomalous solubility of the Bell-Lavis model as solvent 

      Szortyka, Marcia Martins; Fiore, Carlos Eduardo; Barbosa, Marcia Cristina Bernardes; Henriques, Vera Bohomoletz (2012) [Artigo de periódico]
      We address the investigation of the solvation properties of the minimal orientational model for water originally proposed by [Bell and Lavis, J. Phys. A 3, 568 (1970)]. The model presents two liquid phases separated by a ...

    • 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 ...

    • Structure and anomalous solubility for hard spheres in an associating lattice gas model 

      Szortyka, Marcia Martins; Girardi, Mauricio; Henriques, Vera Bohomoletz; Barbosa, Marcia Cristina Bernardes (2012) [Artigo de periódico]
      In this paper we investigate the solubility of a hard-sphere gas in a solvent modeled as an associating lattice gas. The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute ...

    • The associating lattice gas in the presence of interacting solutes 

      Girardi, Mauricio; Szortyka, Marcia Martins; Henriques, Vera Bohomoletz; Barbosa, Marcia Cristina Bernardes (2015) [Artigo de periódico]
      We have investigated the phase diagram of a statistical model for hydrogen-bonding solutions for polar solutes. The structured solvent is represented by an associating lattice gas, which presents anomalous density and ...