Open AccessThe Flow Behavior of Organic Liquids Inside Carbon Nanotubes
Author(s) -
A. G. Barilka,
Р. М. Балабай
Publication year - 2016
Publication title -
fìzika ì hìmìâ tverdogo tìla
Language(s) - English
Resource type - Journals
eISSN - 2309-8589
pISSN - 1729-4428
DOI - 10.15330/pcss.17.3.329-335
Subject(s) - carbon nanotube , pseudopotential , zigzag , materials science , methanol , chemical physics , carbon fibers , electron transfer , mass transfer , nanotechnology , atomic physics , chemistry , composite material , organic chemistry , chromatography , physics , geometry , mathematics , composite number
Within the methods of electron density functional and ab initio pseudopotential, it were obtained the spatial distributions of density of valence and the total energy for migration of water (or methanol) inside carbon nanotubes with clean walls and lined inside with gold atoms. It was found that the mass transfer of methanol through the carbon nanotubes of the zigzag type (15,0) is two orders of magnitude more energy than water.. It was revealed that the mass transfer of water and methanol through carbon nanotubes covered with gold atoms on the inner sides requires an order of magnitude more energy than pure nanotubes.