Vertically aligned double wall carbon nanotube arrays adsorbent for pure and mixture adsorption of H2S, ethylbenzene and carbon monoxide, grand canonical Monte Carlo simulation

In this study, pure and ternary adsorption of hydrogen sulfide (H2S), ethylbenzene (EB), and carbon monoxide (CO) on different arrays of zigzag double wall carbon nanotube was investigated using grand canonical Monte Carlo simulations. The internal diameters of nanotube were fixed at 2r = 50.17 Å wh...

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Veröffentlicht in:	Journal of molecular graphics & modelling 2018-05, Vol.81, p.86-96
Hauptverfasser:	Tasharrofi, Saeideh, Taghdisian, Hossein, Golchoobi, Abdollah
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Carbon monoxide Carbon nanotube Ethylbenzene Hydrogen sulfide Molecular simulation
Online-Zugang:	Volltext
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