Thermodynamics of electrolytes on anisotropic lattices.
The phase behavior of ionic fluids on simple cubic and tetragonal (anisotropic) lattices has been studied by grand canonical Monte Carlo simulations. Systems with both the true lattice Coulombic potential and continuous-space 1/r electrostatic interactions have been investigated. At all degrees of anisotropy, only coexistence between a disordered low-density phase and an ordered high-density phase with the structure similar to ionic crystal was found, in contrast to recent theoretical predictions. Tricritical parameters were determined to be increasing functions of anisotropy parameters which is consistent with theoretical calculations based on the Debye-Hückel approach. At large anisotropies a two-dimensional-like behavior is observed, from which we estimated the dimensionless tricritical temperature and density for the two-dimensional square lattice electrolyte to be T*(tri)=0.14 and rho*(tri)=0.70.
Kobelev
Vladimir
V
Department of Chemistry, Rice University, Houston, Texas 77005, USA.
Kolomeisky
Anatoly B
AB
Panagiotopoulos
Athanassios Z
AZ