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Phys. Rev. E 71, 046118 (2005) [7 pages]

Phase diagrams in the lattice restricted primitive model: From order-disorder to gas-liquid phase transition

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Alexandre Diehl*
Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, CEP 60455-760, Fortaleza, Ceará, Brazil

Athanassios Z. Panagiotopoulos
Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544, USA

Received 3 December 2004; published 15 April 2005

The phase behavior of the lattice restricted primitive model (RPM) for ionic systems with additional short-range nearest neighbor (NN) repulsive interactions has been studied by grand canonical Monte Carlo simulations. We obtain a rich phase behavior as the NN strength is varied. In particular, the phase diagram is very similar to that of the continuum RPM for high NN strength. Specifically, we have found both gas-liquid phase separation, with associated Ising critical point, and a first-order liquid-solid transition. We discuss how the line of continuous order-disorder transitions present for the low NN strength changes into continuum-space behavior as one increases the NN strength and compare our findings with recent theoretical results by Ciach and Stell Phys. Rev. Lett. 91 060601 (2003).

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.71.046118
DOI:
10.1103/PhysRevE.71.046118
PACS:
64.60.Fr, 02.70.Rr, 64.70.Fx

*Corresponding author. Electronic address: diehl@fisica.ufc.br