Lattice Models of Ionic Systems

Details Lattice Models of Ionic Systems Lattice Models of Ionic Systems

2001-12-13

arxiv.org/abs/cond-mat/0112238v1

Physics

Condensed Matter

Statistical Mechanics

25 pages, 3 figures, ReVTeX 4, Submitted to J. Chem. Phys

Scientific paper

10.1063/1.1464827

A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Huckel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for 3D lattices. As for continuum electrolytes, low-density results for sc, bcc and fcc lattices indicate the existence of gas-liquid phase separation. The predicted critical densities have values comparable to those of continuum ionic systems, while the critical temperatures are 60-70% higher. However, when the possibility of sublattice ordering as well as Debye screening is taken into account systematically, order-disorder transitions and a tricritical point are found on sc and bcc lattices, and gas-liquid coexistence is suppressed. Our results agree with recent Monte Carlo simulations of lattice electrolytes.

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