SELECTIVE PROPERTY OF ULTRATHIN LAYERS OF A LOWTEMPERATURE FULLERITE

The permeability of a [C.sub.60] fullerite in a simple cubic phase for natural gas components is investigated. The classical molecular dynamics methods and the Monte Carlo method are used to study the physical effects appearing in the case where the particles pass through a thin layer of a crystalli...

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Veröffentlicht in:Russian physics journal 2023-06, Vol.66 (2), p.232
Hauptverfasser: Borodin, V.I, Bybenchikov, M.A, Bubenchikov, A.M, Ovchinnikov, V.A
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Bybenchikov, M.A
Bubenchikov, A.M
Ovchinnikov, V.A
description The permeability of a [C.sub.60] fullerite in a simple cubic phase for natural gas components is investigated. The classical molecular dynamics methods and the Monte Carlo method are used to study the physical effects appearing in the case where the particles pass through a thin layer of a crystalline fullerite. A discrete model of atom-atom interactions is used to take into account the mutual influence of the elements of the system (fullerenes and penetrating particles). The influence of the incoming particle velocities on the permeability is shown, and a characteristic factor affecting the permeability of the crystalline system is determined. Keywords: natural gas, permeability, fullerite crystal, fullerene [C.sub.60], low-temperature phase, Monte Carlo method.
doi_str_mv 10.1007/s11182-023-02931-2
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subjects Analysis
Molecular dynamics
Monte Carlo method
Natural gas
Permeability
Physiological aspects
title SELECTIVE PROPERTY OF ULTRATHIN LAYERS OF A LOWTEMPERATURE FULLERITE
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