MOLECULAR DYNAMICS SIMULATION OF OXYGEN AND NITROGEN MIXTURE ON CARBON NANOCONE AND NANOTUBE

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MAJIDI ROYA; MANSOURI KHADIJEH

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Journal: Nashrieh Shimi va Mohandesi Shimi Iran Year:2017 | Volume:36 | Issue:3 Page(s): 133-141

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Title

MOLECULAR DYNAMICS SIMULATION OF OXYGEN AND NITROGEN MIXTURE ON CARBON NANOCONE AND NANOTUBE

Author(s)

MAJIDI ROYA | MANSOURI KHADIJEH | Issue Writer Certificate

Keywords

MOLECULAR DYNAMICS SIMULATIONQ1

CARBON NANOCONEQ1

CARBON NANOTUBEQ1

NVT ENSEMBLEQ1

GAS SEPARATIONQ1

Abstract

Adsorption and storage of oxygen and nitrogen with 240o CARBON NANOCONE were studied and results were compared with (10, 10) CARBON NANOTUBE. Adsorption amount of gases at constant temperature and different pressures was calculated by using the molecular dynamics method. The simulation results indicated that gases were adsorbed on external and internal surfaces of CARBON NANOCONE and CARBON NANOTUBE. Adsorption amount was increased and finally saturated by increasing pressure. It was found that oxygen adsorption was higher than nitrogen adsorption on both structures. Also, CARBON NANOCONEs showed higher adsorption and separation capacity than CARBON NANOTUBEs. Therefore, CARBON NANOCONEs are a proper candidate for storage and separation of oxygen of the air.

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APA: Copy

MAJIDI, ROYA, & MANSOURI, KHADIJEH. (2017). MOLECULAR DYNAMICS SIMULATION OF OXYGEN AND NITROGEN MIXTURE ON CARBON NANOCONE AND NANOTUBE. NASHRIEH SHIMI VA MOHANDESI SHIMI IRAN (PERSIAN), 36(3 ), 133-141. SID. https://sid.ir/paper/26320/en

Vancouver: Copy

MAJIDI ROYA, MANSOURI KHADIJEH. MOLECULAR DYNAMICS SIMULATION OF OXYGEN AND NITROGEN MIXTURE ON CARBON NANOCONE AND NANOTUBE. NASHRIEH SHIMI VA MOHANDESI SHIMI IRAN (PERSIAN)[Internet]. 2017;36(3 ):133-141. Available from: https://sid.ir/paper/26320/en

IEEE: Copy

ROYA MAJIDI, and KHADIJEH MANSOURI, “MOLECULAR DYNAMICS SIMULATION OF OXYGEN AND NITROGEN MIXTURE ON CARBON NANOCONE AND NANOTUBE,” NASHRIEH SHIMI VA MOHANDESI SHIMI IRAN (PERSIAN), vol. 36, no. 3 , pp. 133–141, 2017, [Online]. Available: https://sid.ir/paper/26320/en

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