Thoroughly analysis of the phase diagram for the Bell-Lavis model: An entropic simulational study

TL;DR

This study thoroughly analyzes the phase diagram of the Bell-Lavis model using entropic simulations, revealing various phase transitions and coexistence regions across different chemical potentials and temperatures.

Contribution

It provides a detailed entropic simulation-based analysis of the Bell-Lavis model's phase diagram, identifying multiple phase transitions and coexistence phenomena.

Findings

Identified second-order phase transition between LDL and HDL phases.

Mapped critical regions with discontinuous and continuous transitions.

Determined first-order transition between LDL and empty phases.

Abstract

In this work, we investigate the Bell-Lavis model using entropic simulations for several values of the energy parameters. The $T\times\mu$ phase diagram and the ground state configurations are analyzed thoroughly. Besides, we examine the particle density and specific heat behavior for different values of the chemical potential $\mu$ as functions of temperature. We also obtain configurations that maximize the canonical probability for several values of chemical potential and temperature, enabling the identification 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 $LDL-HDL_0$ to $LDL-HDL$ coexistence in the range of $0<\mu<1.05503$. In the $1.05503<\mu<1.48024$ range, the transition between the $LDL-HDL_0$ and $LDL-HDL_0-empty$ coexistence presents discontinuous and continuous transitions characteristics. Finally, for $1.48024<\mu<1.5$, the phase transition between $LDL$ and $empty$ phases is of first-order.