Importance of molecular interactions in colloidal dispersions

TL;DR

This paper reviews the fundamental molecular interactions in colloidal dispersions, discusses how modern simulations can predict their properties, and demonstrates this with a case study on polymer brush rheology.

Contribution

It highlights the role of computer simulations in accurately predicting colloidal properties from molecular interactions, including a case study on polymer brushes.

Findings

Simulations can predict rheological properties accurately.

Molecular interactions determine colloidal dispersion properties.

Polymer brush simulations agree with experimental data.

Abstract

We review briefly the concept of colloidal dispersions, their general properties and some of their most important applications, as well as the basic molecular interactions that give rise to their properties in equilibrium. Similarly, we revisit Brownian motion and hydrodynamic interactions associated with the concept of viscosity of colloidal dispersion. It is argued that the use of modern research tools, such as computer simulations, allows one to predict accurately some macroscopically measurable properties by solving relatively simple models of molecular interactions for a large number of particles. Lastly, as a case study, we report the prediction of rheological properties of polymer brushes using state of the art, coarse grained computer simulations, which are in excellent agreement with experiments.