Thermodynamics of electrolytes on anisotropic lattices

Vladimir Kobelev, Anatoly B. Kolomeisky, and Athanassios Z. Panagiotopoulos
Phys. Rev. E 68, 066110 – Published 18 December 2003
PDFExport Citation

Abstract

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 Ttri*=0.14 and ρtri*=0.70.

  • Received 6 July 2003

DOI:https://doi.org/10.1103/PhysRevE.68.066110

©2003 American Physical Society

Authors & Affiliations

Vladimir Kobelev* and Anatoly B. Kolomeisky

  • Department of Chemistry, Rice University, Houston, Texas 77005, USA

Athanassios Z. Panagiotopoulos

  • Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544, USA

  • *Current address: Dept. of Materials Science and Engineering, University of Illinois, Urbana, IL 61801, USA.

References (Subscription Required)

Click to Expand
Issue

Vol. 68, Iss. 6 — December 2003

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review E

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×