TY - JOUR
T1 - Thermodynamics of electrolytes on anisotropic lattices
AU - Kobelev, Vladimir
AU - Kolomeisky, Anatoly B.
AU - Panagiotopoulos, Athanassios Z.
PY - 2003
Y1 - 2003
N2 - 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 [Formula presented] 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 [Formula presented] and [Formula presented].
AB - 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 [Formula presented] 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 [Formula presented] and [Formula presented].
UR - http://www.scopus.com/inward/record.url?scp=85035280016&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85035280016&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.68.066110
DO - 10.1103/PhysRevE.68.066110
M3 - Article
C2 - 14754272
AN - SCOPUS:85035280016
SN - 1063-651X
VL - 68
JO - Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
JF - Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
IS - 6
ER -