Hydrogen adsorption capacity of vanadium oxide nanotube from pure and mixture gas environment through molecular simulation |
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| Authors: | A. Salimian H. R. Aghabozorg |
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| Affiliation: | 1. Department of Chemistry, North Tehran Branch, Islamic Azad University, Tehran, Iran;2. Research Institute of Petroleum Industry (RIPI), Tehran, Iran;3. Department of Chemistry, North Tehran Branch, Islamic Azad University, Tehran, Iran |
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| Abstract: | The effects of temperature and pressure on the adsorption capacity of vanadium oxide nanotube (VONT) were investigated by Monte Carlo (MC) simulation. Hydrogen adsorption was an increasing function of pressure and in about 50 MPa VONT showed the maximum total hydrogen capacity of 5.17, 4.67 and 4.56 wt%. at 250, 275 and 300 K, respectively. On increasing the temperature to room temperature, 75% decrease in the initial adsorption capacity was observed. Appraising adsorption of the same number of hydrogen molecules from pure and hydrogen/nitrogen mixture at 300 K indicated that under 10 MPa, changes in adsorption capacities were inconsequential after N2 addition to the environment. |
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| Keywords: | Adsorption Monte Carlo simulation radial density vanadium oxide nanotube |
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