Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2002-08-05
Physics
Condensed Matter
Statistical Mechanics
16 pages, 13 figures, submitted to Physical Review E
Scientific paper
10.1103/PhysRevE.66.041204
We present a systematic study of the effect of the ion pairing on the gas-liquid phase transition of hard-core 1:1 electrolyte models. We study a class of dipolar dimer models that depend on a parameter R_c, the maximum separation between the ions that compose the dimer. This parameter can vary from sigma_{+/-} that corresponds to the tightly tethered dipolar dimer model, to R_c --> infinity, that corresponds to the Stillinger-Lovett description of the free ion system. The coexistence curve and critical point parameters are obtained as a function of R_c by grand canonical Monte Carlo techniques. Our results show that this dependence is smooth but non-monotonic and converges asymptotically towards the free ion case for relatively small values of R_c. This fact allows us to describe the gas-liquid transition in the free ion model as a transition between two dimerized fluid phases. The role of the unpaired ions can be considered as a perturbation of this picture.
Panagiotopoulos Athanassios Z.
Romero-Enrique Jose Manuel
Rull L. F.
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