(10g) Structure and Dynamics of Water within SWCNT and Cyclic Peptide Nanotubes

Nanoscale confinement effects reveal itself as a common theme in areas such as separation of multicomponent molecular mixtures, transport through cell-membranes, applications of nanofluidic devices, etc. Conventionally molecular dynamics methods have been used to address fluid behavior in the nanometers length scale. Here we have chosen two physically well defined systems: single wall carbon nanotubes with various diameter and chirality and self assembled cyclic peptide nanotubes for representing nanoscale confinement for studying water structure and dynamics. Both of these systems present a uniform environment apart from the distinct charactrer of their specific interactions with water. We will report on the effects of environment, diameter and chirality in case of SWCNT.