Gaseous density layering within carbon nanotubes: An analytic model
نویسندگان
چکیده
Recently, molecular dynamics simulations have predicted that when carbon dioxide gas enters a nanotube, concentric layers of gaseous molecules will appear. We show in this letter how effect can be analytically by considering the potential field generated pore wall. The layer expression thus derived used to reproduce essential features particular MD study within (40, 40) nanotube and confirm, from an energetic point view, outer stable. With closed form for known, we are able derive formulas quantities typically interest Lennard-Jones analysis, such as minimum energy, equilibrium position location zero potential.
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2022
ISSN: ['0009-2614', '1873-4448']
DOI: https://doi.org/10.1016/j.cplett.2022.139959