From micelle to microemulsion: an investigation of structural changes using molecular dynamics

ABSTRACT

Objective: Although a huge number of experimental works may be observed in the literature for microemulsions, modelling reports on these nano-systems are rare. Additionally, no comprehensive work so far has detailed the changes occurring to a micellar droplet when oil molecules are introduced [i.e. obtaining microemulsions from micelles]. This work aimed to simulate a micelle and a microemulsion system containing polysorbate 80 - as surfactant - and study the structural changes in the two systems