Molecular self-diffusion in nanoscale cylindrical pores and classical Fick's law predictions

Molecular-dynamics calculations are carried out to study the self-diffusion of water molecules confined in cylindrical pores. It is found that the classical Fick's law description provides a surprisingly accurate prediction for the general behaviors of self-diffusion even for pore size of a few...

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Veröffentlicht in:	The Journal of chemical physics 2005-08, Vol.123 (5), p.054706-054706-4
1. Verfasser:	Cui, S. T.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Biophysical Phenomena Biophysics Chemistry, Physical - methods Computer Simulation Diffusion Models, Molecular Models, Statistical Molecular Structure Nanoparticles - chemistry Nanotechnology - methods Temperature Thermodynamics Time Factors Water - chemistry
Online-Zugang:	Volltext
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