Connection Between Minimum of Solubility and Temperature of Maximum Density in an Associating Lattice Gas Model

TL;DR

This study explores the relationship between solubility minima and maximum density temperatures in an associating lattice gas model, revealing their coinciding lines through simulations and theoretical analysis.

Contribution

It demonstrates the connection between solubility minima and density maxima in an ALG model, combining Monte Carlo simulations and cluster approximation methods.

Findings

Solubility exhibits a minimum at certain temperatures.

The line of minimum solubility coincides with the line of maximum density.

Model properties are validated through simulations and approximations.

Abstract

In this paper we investigate the solubility of a hard - sphere gas in a solvent modeled as an associating lattice gas (ALG). The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute free model. Model properties are investigated thr ough Monte Carlo simulations and a cluster approximation. The model solubility is computed via simulations and shown to exhibit a minimum as a function of temperature. The line of minimum solubility (TmS) coincides with the line of maximum density (TMD) for different solvent chemical potentials.