Simple model for the phase coexistence and electrical conductivity of alkali fluids

TL;DR

This paper introduces a theoretical lattice gas model for alkali fluids that accurately predicts phase coexistence and electrical conductivity, aligning well with experimental data.

Contribution

It presents the first model to simultaneously describe phase coexistence and electrical conductivity in alkali fluids, incorporating non-additive interactions due to valence electron delocalization.

Findings

Model reproduces experimental phase coexistence features.

Electrical conductivity estimates match observations.

Monte Carlo simulations reveal structural and thermodynamic properties.

Abstract

We report the first theoretical model for the alkali fluids which yields a liquid-vapor phase coexistence with the experimentally observed features and electrical conductivity estimates which are also in accord with observations. We have carried out a Monte Carlo simulation for a lattice gas model which allows an integrated study of the structural, thermodynamic, and electronic properties of metal-atom fluids. Although such a technique is applicable to both metallic and nonmetallic fluids, non-additive interactions due to valence electron delocalization are a crucial feature of the present model.