Abstract
The present paper assesses the state of low-energy molecules in the vicinity of the crystal structure of a closed nanotube. It is proposed to use the continuum description of the impact energy from carbon graphene structures. In this approach, a closed tube consists of an open part and two fullerene hemispheres. Calculations revealed that adsorption of gas molecules by surface crystals is not the case of capturing by a part of the nano-object surface, but that of involvement of molecules in a complex orbital motion around the particle.
Highlights
Leaving aside the problem of gas filtration through open nanotubes, which has been the subject for a significant amount of research [1-6], in this paper, we consider a closed nanotube and associated sorption motions of molecules
In order to realize the continual approach, the LJ-potential preliminarily used here must be modified in such a way that, when performing continual integration over the surface of the 2D-material, we could obtain a convergent value of the integral action
The movement in the xy plane is defined by two modes of vibration: the basic mode is associated with circular motion and the radar frequency is determined by the forces of attraction and repulsion
Summary
Leaving aside the problem of gas filtration through open nanotubes, which has been the subject for a significant amount of research [1-6], in this paper, we consider a closed nanotube and associated sorption motions of molecules. A nanotube can be regarded as a closed and twisted graphene plate. The positions of nodes in the hexagonal grid are controlled by C-C bonds, the same as in the crystalline structure of diamond. There are large tubes containing thousands of nodes in the crystalline lattice, as well as systems of nanotubes, including about a million carbon atoms. In such cases, it is advisable to use the continual approach
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