Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies

doi:10.1016/j.cjche.2019.12.005

中国化学工程学报 ›› 2020, Vol. 28 ›› Issue (5): 1268-1276.DOI: 10.1016/j.cjche.2019.12.005

• Separation Science and Engineering • 上一篇下一篇

Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies

Golchehreh Bayat¹, Roozbeh Saghatchi², Jafar Azamat³, Alireza Khataee^1,4,5

1 Research Laboratory of Advanced Water and Wastewater Treatment Processes, Department of Applied Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz 51666-16471, Iran;
2 Integrated Manufacturing Technologies Research and Application Center, Faculty of Engineering and Natural Sciences, Sabanci University, Orhanli, Tuzla, Istanbul 34956, Turkey;
3 Department of Basic Sciences, Farhangian University, Tehran, Iran;
4 Department of Environmental Engineering, Gebze Technical University, Gebze 41400, Turkey;
5 Institute of Research and Development, Duy Tan University, Da Nang 550000, Viet Nam

收稿日期:2019-11-06 修回日期:2019-12-01 出版日期:2020-05-28 发布日期:2020-07-29
通讯作者: Alireza Khataee

Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies

Golchehreh Bayat¹, Roozbeh Saghatchi², Jafar Azamat³, Alireza Khataee^1,4,5

1 Research Laboratory of Advanced Water and Wastewater Treatment Processes, Department of Applied Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz 51666-16471, Iran;
2 Integrated Manufacturing Technologies Research and Application Center, Faculty of Engineering and Natural Sciences, Sabanci University, Orhanli, Tuzla, Istanbul 34956, Turkey;
3 Department of Basic Sciences, Farhangian University, Tehran, Iran;
4 Department of Environmental Engineering, Gebze Technical University, Gebze 41400, Turkey;
5 Institute of Research and Development, Duy Tan University, Da Nang 550000, Viet Nam

Received:2019-11-06 Revised:2019-12-01 Online:2020-05-28 Published:2020-07-29
Contact: Alireza Khataee

摘要/Abstract

摘要： 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.

关键词: Gas separation, Silicon carbide nanosheets, Molecular dynamics, Computational fluid dynamics

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.

Key words: Gas separation, Silicon carbide nanosheets, Molecular dynamics, Computational fluid dynamics

Golchehreh Bayat, Roozbeh Saghatchi, Jafar Azamat, Alireza Khataee. Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies[J]. 中国化学工程学报, 2020, 28(5): 1268-1276.

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Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies

Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies

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