Disintegration of water nanodroplet in oil: Impact of amphiphile self-assembly, surface heterogeneity, and protrusions

Amphiphiles self-assemble around water-in-oil nanodroplets, increasing interfacial heterogeneity, reducing droplet size, and stabilizing the system through microemulsion formation. We present molecular dynamics simulations investigating how amphiphiles modulate the heterogeneity and disintegration of water nanodroplets. Utilizing network theory-based sub-ensemble analysis and curvature analysis, we characterize the amphiphile self-assembly process and the disintegration of water nanodroplets into smaller daughter droplets. We detail the microscopic mechanism of water transport from the water droplet to the oil phase, facilitated by the formation of sharp, finger-like protrusions on the droplet surface. Our results demonstrate a direct correlation between the rate of droplet disintegration and temperature-induced thermal fluctuations.