International Scientific Journal


The paper studies process of interaction of a moving molecule with structure atoms. The mathematical description is based on application of Hamiltonian systems model and numerical methods for solving the basic problem of molecular dynamics. The interaction between individual atoms and the simplest molecules is cared out using the classical Lennard-Jones potential. Polyethylene nanostructures are considered as filtering elements for selective separation of natural gas mixtures, in particular, their light components: hydrogen and helium. The influence of geometric dimensions and geometric features of a nanostructure on selectivity of gas mixtures separation is studied.
PAPER REVISED: 2018-11-25
PAPER ACCEPTED: 2018-12-11
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THERMAL SCIENCE YEAR 2019, VOLUME 23, ISSUE Supplement 2, PAGES [S463 - S469]
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© 2022 Society of Thermal Engineers of Serbia. Published by the Vinča Institute of Nuclear Sciences, National Institute of the Republic of Serbia, Belgrade, Serbia. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International licence