Water transport through carbon nanotubes with a peanut-shaped cross-section

Abstract

Carbon nanotubes are typically characterized by a circular cross-section. However, under hydrostatic pressure, their cross-section can deform into a peanut-like shape. In this study, we explore water transport in carbon nanotubes that exhibit the peanut-shaped cross-section. Our findings reveal that the axial separation in the peanut-shaped carbon nanotube significantly impacts water transport. We attribute these effects to changes in water molecule occupancy, average water velocity, and the order parameter of water, all of which are finely influenced by the axial separation. These results enhance our understanding of the water transport mechanisms in carbon nanotubes with peanut-shaped cross-sections.