2013/08/25 by Ning Wei, Zhiping Xu, Xinsheng Peng · 209 citations
Chemistry · Engineering · Environmental Science · Materials Science · Physics and Astronomy · #Boundary value problem #Carbon nanotube #Chemical engineering #Chemical physics #Chemistry #Composite material #Computational chemistry #Graphene #Graphene research and applications #Materials science #Mechanics #Membrane Separation Technologies #Molecular dynamics #Nanometre #Nanopore and Nanochannel Transport Studies #Nanotechnology #Oxide #Physics #Relaxation (psychology) #Slip (aerodynamics) #Surface modification #Thermodynamics #Viscosity #cond-mat.mes-hall #cond-mat.stat-mech
paper · pdf · doi:10.1103/physreve.89.012113
published in Physical Review E 89(1), 012113 (American Physical Society)
arxiv created 2013/08/25 · openalex publication_date 2014/01/13 · arxiv updated 2014/06/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Fast slip flow was identified for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this significant flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization and relaxation of nanoconfinement in graphene oxides. Molecular dynamics simulation results show that hydrodynamics applies in this circumstance, even at length scales down to nanometers. However, corrections to the slip boundary condition and apparent viscosity of nanoconfined flow must be included to make quantitative predictions. These results were discussed with the structural characteristics of liquid water and hydrogen-bond networks.