Thermodynamic and dynamic anomalies in a one dimensional lattice model of liquid water

TL;DR

This paper models water-like thermodynamic and dynamic anomalies in a one-dimensional lattice system, revealing a transition akin to a critical point and reproducing water's density and diffusion anomalies.

Contribution

It introduces a simplified 1D lattice model capturing water's thermodynamic and dynamic anomalies, including a critical transition and anomalous diffusion behavior.

Findings

Identification of a transition between two fluid structures at zero temperature and high pressure.

Reproduction of water-like density and thermodynamic response anomalies.

Observation of increasing self-diffusion constant with density, similar to liquid water.

Abstract

We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and thermodynamic response functions are found. When the hydrogen bond (molecules separated by holes) is more attractive than the van der Waals interaction (molecules in contact) a transition between two fluid structures is found at null temperature and high pressure. This transition is analogous to a `critical point' and intimately connects the anomalies in density and in thermodynamic response functions. Monte Carlo simulations were performed in the neighbourhood of this transition and used to calculate the self diffusion constant, which increases with density as in liquid water.