Modelling hair lubrication in the presence of additives

This project will study the molecular-level interactions and fundamental mechanisms responsible for wet friction in hair-to-hair contacts in the presence of new additives used in silicone-free conditioners and sulfate-free shampoos. Particular emphasis will be placed upon natural products with lower environmental impact. Molecular Dynamics (MD) and Non-Equilibrium Molecular Dynamics (NEMD) simulations will be used to study changes on the hair surface chemistry in presence of surfactants, polymers, and natural products and their impact on hair-hair lubrication. We will also explore the use of continuum-based models and hybrid molecular-continuum simulations to capture the impact of the surface changes induced by the improved formulations on macroscale friction.