Theoretical study of phase behaviour of DLVO model for lysozyme and $\gamma$-crystalline aqueous electrolyte solutions

TL;DR

This paper uses theoretical models to study the phase behavior of the DLVO model for lysozyme and crystalline electrolyte solutions, comparing predictions with simulations and experiments.

Contribution

It applies and compares multiple theoretical approaches, including MSA and BH-TPT, to predict structural properties and phase diagrams of these solutions.

Findings

MSA accurately predicts structure factors.

BH-TPT provides the most accurate phase diagram predictions.

Theoretical results partially agree with experimental and simulation data.

Abstract

Mean spherical approximation (MSA), second-order Barker-Henderson (BH) perturbation theory and thermodynamic perturbation theory (TPT) for associating fluids in combination with BH perturbation theory are applied to the study of the structural properties and phase behaviour of the Derjaguin-Landau-Verwey-Overbeek (DLVO) model of lysozyme and $\gamma$-cristalline aqueous electrolyte solutions. Predictions of the MSA for the structure factors are in good agreement with the corresponding computer simulation predictions. The agreement between theoretical results for the liquid-gas phase diagram and the corresponding results of the experiment and computer simulation is less satisfactory, with predictions of the combined BH-TPT approach being the most accurate.