Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies |
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| Authors: | Golchehreh Bayat Roozbeh Saghatchi Jafar Azamat Alireza Khataee |
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| Affiliation: | 1. Department of Chemistry, Faculty of Science, El-Mansoura University, El-Mansoura 35516, Egypt;2. Department of Chemistry, Faculty of Science, Al-Azhar University, Egypt;3. Quality Control Laboratory, Operation Department, JOTUN, Egypt;1. School of Chemical Engineering, Babol Noshirvani University of Technology, Babol, Iran;2. Department of Chemical Engineering, Islamic Azad University, Iran;3. School of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran, Iran;4. National Iranian South Oil Company, Iran;1. Research Center for Pharmaceutical Nanotechnology and Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran;2. Pharmaceutical Analysis Research Center and Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran;3. Kimia Idea Pardaz Azarbayjan (KIPA) Science-Based Company, Tabriz University of Medical Sciences, Tabriz, Iran;4. Grupo de Investigaciones Farmacéutico-Fisicoquímicas, Departamento de Farmacia, Facultad de Ciencias, Universidad Nacional de Colombia – Sede Bogotá, Cra. 30 No. 45-03, Bogotá, D.C., Colombia;5. Department of Physical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz, Iran;6. Drug Applied Research Center, Tabriz University of Medical Sciences, Tabriz, Iran |
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| Abstract: | This research discusses the separation of methane gas from three different gas mixtures, CH4/H2S, CH4/N2 and CH4/CO2, using a modified silicon carbide nanosheet (SiCNS) membrane using both molecular dynamics (MD) and computational fluid dynamics (CFD) methods. The research examines the effects of different structures of the SiCNSs on the separation of these gas mixtures. Various parameters including the potential of the mean force, separation factor, permeation rate, selectivity and diffusivity are discussed in detail. Our MD simulations showed that the separation of CH4/H2S, and CH4/CO2 mixtures was successful, while simulation demonstrated a poor result for the CH4/N2 mixture. The effect of temperature on the diffusivity of gas is also discussed, and a correlation is introduced for diffusivity as a function of temperature. The evaluated value for diffusivity is then used in the CFD method to investigate the permeation rate of gas mixtures. |
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| Keywords: | Gas separation Silicon carbide nanosheets Molecular dynamics Computational fluid dynamics |
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