Open AccessThe interaction of water vapor molecules with a structure based on carbon nanotubes
Author(s) -
Egor A. Tarasov,
M. D. Khilchuk
Publication year - 2020
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 - 10.1088/1742-6596/1709/1/012023
Subject(s) - carbon nanotube , fortran , water vapor , membrane , molecule , unit (ring theory) , molecular dynamics , code (set theory) , materials science , chemical engineering , chemical physics , nanotechnology , computer science , chemistry , computational chemistry , organic chemistry , mathematics , programming language , engineering , mathematics education , biochemistry , set (abstract data type)
This paper presents the results of numerical simulations of the interaction of a unit cell of a membrane composed of four open nanotubes and water vapor molecules. A mathematical model was proposed based on the Lenard-Jones potential, and a numerical solution of the equations of motion of a water vapor molecule around a carbon nanotube was constructed. This solution was implemented using the author’s program code in the FORTRAN language. The simulation results show that during the rotation of the unit cell of the membrane, it is possible to change the modes of passage of the membrane in relation to water vapor. These results can be used both in further scientific research and in the creation of various filter materials.