Thorough analysis of the phase diagram for the bell-lavis model: an entropic simulational study.

Abstract

In this work, we investigate the Bell–Lavis model using entropic simulations for several values of the energy parameters. The T × 휇 phase diagram and the ground state confgurations are analyzed thoroughly. Besides, we examine the particle density and specifc heat behavior for diferent values of the chemical potential 휇 as functions of temperature. We also obtain confgurations that maximize the canonical probability for several values of chemical potential and temperature, enabling the identifcation of the low-density (LDL) and high-density liquid (HDL) phases, among others, in the critical regions. We found a second-order phase transition from the LDL − HDL0 to LDL − HDL coexistence in the range of 0 <�< 1.05503. In the 1.05503 <�< 1.48024 range, the transition between the LDL − HDL0 and LDL − HDL0 − empty coexistence presents discontinuous and continuous transitions characteristics. Finally, for 1.48024 <�< 1.5, the phase transition between LDL and empty phases is of frst order.