Equilibrium and Kinetics: Water Confined in Carbon Nanotube as 1D Lattice Gas

Xin Zhou, Cheng-Quan Li, Mitsumasa Iwamoto

Published 2002-12-16, updated 2002-12-24Version 2

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.