Thermodynamic and dynamic anomalies in a one-dimensional lattice model of liquid water.
We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and thermodynamic response functions are found. When the hydrogen bond (molecules separated by holes) is more attractive than the van der Waals interaction (molecules in contact) a transition between two fluid structures is found at null temperature and high pressure. This transition is analogous to a 'critical point' and intimately connects the anomalies in density and in thermodynamic response functions. Monte Carlo simulations were performed in the neighborhood of this transition and used to calculate the self diffusion constant, which increases with density as in liquid water.
Faculdade UnB Planaltina, Universidade de Brasília, 73300-000 Planaltina-DF, Brazil. aureliobarbosa@unb.br
Marco Aurélio A
MA
Barbosa
Fernando Vito
FV
Barbosa
Fernando Albuquerque
FA
Oliveira
D009010:Monte Carlo Method; D011789:Quantum Theory; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
D014867:Water