Selectivity of ion transport in narrow carbon nanotubes depends on the driving force due to drag or drive nature of their active hydration shells

Molecular dynamics simulations have revealed the important roles of hydration shells of ions transported through ultrathin carbon nanotubes (CNTs). In particular, ions driven by electric fields tend to drag their hydration shells behind them, while for ions transported by pressure, their hydration shells can actively drive them. Given the different binding strengths of hydration shells to ions of different sizes, these active roles of hydration shells affect the relative entry rates and driving speeds of ions in CNTs.

Automated summary

Molecular dynamics simulations have shown the significant influence of hydration shells on ions passing through ultrathin carbon nanotubes. Electrically-driven ions tend to drag their hydration shells, while pressure-driven ions can be actively driven by their hydration shells. The different binding strengths of hydration shells to ions of various sizes affect the entry rates and driving speeds of ions in CNTs.