Open AccessMathematical modeling of the interaction of a model water molecule with a membrane based on cells of double-walled open carbon nanotubes
Author(s) -
I. S. Demidenko,
M. D. Khilchuk,
Egor A. Tarasov
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1989/1/012033
Subject(s) - carbon nanotube , perpendicular , molecule , materials science , plane (geometry) , work (physics) , membrane , chemical physics , nanotechnology , chemistry , geometry , physics , thermodynamics , organic chemistry , biochemistry , mathematics
In this work, the process of interaction of a cell of four double-walled nanotubes with a water molecule was numerically simulated. The simulation results show that under normal conditions, water molecules pass through a cell of nanotubes in a plane parallel to the length of the tubes, and in a plane perpendicular to the length, the structure for such molecules is not passable.