Equilibrium and Kinetics: Water Confined in Carbon Nanotube as 1D Lattice Gas
Xin Zhou, Cheng-Quan Li, Mitsumasa Iwamoto
Abstract
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 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.
Create a lesson
Related papers
Global Minima of the Thomson Problem in a Disk: A Molecular Dynamics Approach with Fixed Border Charges
Georgiy K. Lavrov, Eduard G. Nikonov
Martingale theory for heat and phase-space contraction in heterogeneous diffusions
Jing Qin, Nariya Uchida, Édgar Roldán
Formal Fluctuation-Response Relations for Non-Stationary Systems: The Dynamic Conjugate Variable
Igor M. Sokolov
Khinchin's ergodicity and typicality in statistical mechanics
Dario Lucente, Marco Baldovin, Giacomo Gradenigo et al.
Universal 1/f Noise in the Power Spectra of Energy Time-series in Solvated DNA Dynamics
Harsh Sahu, Deepika Sardana, Pramod Kumar et al.
Landau diamagnetism and the de Haas-van Alphen effect from a single geometric construction
Sung-Hoon Lee