2002/12/16 by Xin Zhou, Cheng-Quan Li, Zhou, Xin +4
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Carbon Nanotubes in Composites #Nanopore and Nanochannel Transport Studies #cond-mat.mes-hall #cond-mat.stat-mech
paper · pdf · doi:10.48550/arxiv.cond-mat/0212381
5 pages, 2 figures
arxiv created 2002/12/24 · arxiv updated 2009/11/30
A simple 1D lattice gas model is presented, which very well describes the equilibrium and kinetic behaviors of water confined in a thin carbon nanotube found in an atomistic molecular dynamics(MD) simulation [ Nature \bf 414, 188 (2001) ]. The model parameters are corresponding to various physical interactions and can be calculated or estimated in statistic mechanics. The roles of every interaction in the water filling, emptying and transporting processes are clearly understood. Our results indicate that the physical picture of the single-file kinetics is very simple.