Characterization of the same dimensional crew-cut and star-like micelles by flow-driven translocation through a nanochannel

This study utilizes the lattice Boltzmann molecular dynamics simulation method to explore the flow-driven translocation of crew-cut and star-like micelles in nanochannels. Our results indicate that for confined nanochannels, crew-cut micelles are able to translocate intact, while star-like micelles with the same hydrophobic core radius (Rg,core) experience fragmented translocation. Conversely, crew-cut micelles show fragmented translocation, while star-like micelles with the same overall radius (Rg) maintain intact translocation. Furthermore, the critical flow flux for crew-cut micelles is significantly higher than that of star-like micelles with the same Rg. On the other hand, the critical flow flux of star-like micelles surpasses that of crew-cut micelles when comparing those with the same Rg,core, although the difference in this case is considerably smaller. These findings align with variations in the Lennard-Jones potential energy of the micelles themselves. Additionally, the differences in critical flow flux between the two micelle types are particularly pronounced when the core sizes of the micelles are smaller than the nanochannel size. Our work highlights the complex relationship between the translocation modes of micelles within nanochannels and their characteristic dimensions and types, which play a significant role in determining their differences in critical flow fluxes.