title: Water boiling inside carbon nanotubes: toward efficient drug release.
abstract: We show using molecular dynamics simulation that spatial confinement of water inside carbon nanotubes (CNTs) substantially increases its boiling temperature and that a small temperature growth above the boiling point dramatically raises the inside pressure. Capillary theory successfully predicts the boiling point elevation down to 2 nm, below which large deviations between the theory and atomistic simulation take place. Water behaves qualitatively different inside narrow CNTs, exhibiting transition into an unusual phase, where pressure is gas-like and grows linearly with temperature, while the diffusion constant is temperature-independent. Precise control over boiling by CNT diameter, together with the rapid growth of inside pressure above the boiling point, suggests a novel drug delivery protocol. Polar drug molecules are packaged inside CNTs; the latter are delivered into living tissues and heated by laser. Solvent boiling facilitates drug release.
authors.affiliation: Department of Chemistry, University of Rochester, Rochester, New York 14627, USA.
authors.forename: Vitaly V
authors.initials: VV
authors.lastname: Chaban
authors.forename: Oleg V
authors.initials: OV
authors.lastname: Prezhdo
mesh_terms: D001274:Atmospheric Pressure; D004058:Diffusion; D016503:Drug Delivery Systems / Q000379:methods*; D005740:Gases / Q000737:chemistry; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D037742:Nanotubes, Carbon / Q000737:chemistry*; D044367:Phase Transition; D044366:Transition Temperature; D014835:Volatilization; D014867:Water / Q000737:chemistry*
chemical_list: D005740:Gases; D037742:Nanotubes, Carbon; D014867:Water