The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation

Abstract

Abstract. 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 subjected to the considerable activation in the tube. The potential holes being the sorption zones in fact are localized.

Studying permeability of nanostructures obtained from polyethylene threads

“…The use of filters obtained from nanomaterials is an innovative method of components separation based on intermolecular interactions [1]. Nanostructures include open carbon nanotubes [2][3][4][5], nanochannels [6], nanofibers [7,8], and ultrathin films [9]. One of the promising methods for separation of natural gas components is using polyethylene nanostructures consisting of curved polyethylene threads lined in the form of an interlacing lattice [10][11][12][13].…”

Comparison of Two Elementary Nanomembranes Cells for Gas Mixture Separation Problem

“…The discrete approach is to describe the interaction of a molecule or atom with each structure atom. Examples of the use of this approach are given in [4][5][6][7][8][9][10].…”