Phase diagram and critical properties of a two-dimensional associating lattice gas.

Abstract

We revisit the associating lattice gas (ALG) introduced by Henriques etal. [Phys. Rev. E 71, 031504 (2005)PLEEE81539-375510.1103/PhysRevE.71.031504] in its symmetric version. In this model, defined on the triangular lattice, interaction between molecules occupying nearest-neighbor sites depends on their relative orientation, mimicking the formation of hydrogen bonds in network-forming fluids. Although all previous studies of this model agree that it has a disordered fluid (DF), a low-density liquid (LDL), and a high-density liquid (HDL) phase, quite different forms have been reported for its phase diagram. Here, we present a thorough investigation of its phase behavior using both transfer matrix calculations and Monte Carlo (MC) simulations, along with finite-size scaling extrapolations. Results in striking agreement are found using these methods. The critical point associated with the DF-HDL transition at full occupancy, identified by Furlan et al. [Phys. Rev. E 100, 022109 (2019)2470-004510.1103/PhysRevE.100.022109] is shown to be one terminus of a critical line separating these phases. In opposition to previous simulation studies, we find that the transition between the DF and LDL phases is always discontinuous, similar to the LDL-HDL transition. The associated coexistence lines meet at the point where the DF-HDL critical line ends, making it a critical-end-point. Overall, the form of the phase diagram observed in our simulations is very similar to that found in the exact solution of the model on a Husimi lattice. Our results confirm that, despite the existence of some waterlike anomalies in this model, it is unable to reproduce key features of the phase behavior of liquid water.