Reverse Micellar Systems Modeling

We use molecular dynamics (MD) and dynamic light scattering (DLS) measurements to analyze the size of reverse micellar structures in the AOT-water-isooctane system at different water-to-surfactant ratios at ambient temperature and pressure. We find good qualitative agreement for the size and morphology behavior of the reverse micelle structures between molecular dynamics calculations and DLS measurements; however, the average values for the reverse micelle size distributions are systematically larger for the DLS measurements. The combination of MD with DLS allows a better interpretation of the experimental results, in particular for conditions where the structures are non-spherical, commonly observed at lower water-to-surfactant ratios.

image = “rmicelle.jpg” caption = “Snapshot of equilibrated reverse micelle”

This project is in collaboration with Olivia Graeve from University of California, San Diego.