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The classic view down the center of a carbon nanotube.

The classic view down the center of a carbon nanotube.

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The integration of the modified LJ-potential allowed revealing the universal effect of the open carbon tube on the molecular objects moving within or proximate to the tube. There has been established that there are modes of the molecule motion without the energy exchange with the atoms of the carbon framing, under which the moving molecules are sub...

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Context 1
... terms of the model development, the single-walled nanotube is an object which has one of its linear dimensions much smaller than two others, i.e. somewhat of the size (diameter) of the carbon. In other words, the nanotube like fullerene and graphene is the surficial crystal ( Figure 1). That is the reason why in a continuous representation of the interaction sources the cumulative effect of the tube is determined by the surface integral. ...
Context 2
... test the integrated approach based on the continuity distribution of the energy sources on the surface of the tube, the comparison has been done for the values of the velocity of the methane molecule on the tube axis, obtained by the described model, and the data of the common model of the molecular dynamics, wherein the carbons on the surface of the tube have the hexagonal distribution pattern (Figure 1). Figure 4. ...


The paper considers carbyne nanostructures as filtering members for separation of gas mixtures based on selective adsorption of its components, in particular, hydrogen, helium and methane. The size of a highlyselective cell is determined in this paper. It is found that the number of layers in carbyne membrane has no effect on the selective separation of gas mixtures.
In this paper we have considered two versions of elementary cells for creating a nanomembrane, which will be used to separate natural gas into different gas components. Calculated trajectories of helium atoms and methane molecules interacting with elementary structural units of the membrane are presented. The model is based on a discrete approach to describe the interaction of a structure with atoms and molecules.
An approach to solving the problems on transmission of material particles (e.g., molecules) through composite complex-shape potential barriers is proposed. To this end, a novel computational technique for integrating the Schrödinger equation is developed, which is based on the use of a non-standard matrix-analysis procedure and shows a good promise of being generalized to include two- and three-dimensional wave-dynamics problems. A good agreement is demonstrated between the results obtained using this approach and exact solutions for the transmission coefficient of a rectangular barrier. In the cases of particles or energy waves penetrating composite potential barriers, a quantum character of the membrane penetrability increasing as a function of the particle or wave energy is revealed. It is found that for the particles or photons of certain energies their transmission ratio could be increased by a factor of 2 or 3 via the use of new energy barriers added to the membrane.