2012/02/07 by Vitaly V. Chaban, Oleg V. Prezhdo, Chaban, Vitaly V. +1
Energy · Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Nanopore and Nanochannel Transport Studies #Solar-Powered Water Purification Methods #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1202.1328
arxiv created 2012/02/07 · openalex publication_date 2012/02/07 · arxiv updated 2012/02/08 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We show using molecular dynamics simulation that spatial confinement of water inside carbon nanotubes (CNT) 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 destroys CNT capping agents and releases the drug.