Characteristics of CO<sub>2</sub> Adsorption and Permeability of Porous Carbon-Nitrogen Membranes Coupling-regulated by Charge and Strain

WANG Xiaohui; LI Xue; HE Wenhao; LU Guiwu; ZHOU Guanggang; CHEN Junqing; ZHAO Ge; WANG Ning

doi:10.6054/j.jscnun.2022021

Journal of South China Normal University (Natural Science Edition) > 2022 > 54(2): 18-23. > DOI: 10.6054/j.jscnun.2022021

WANG Xiaohui, LI Xue, HE Wenhao, LU Guiwu, ZHOU Guanggang, CHEN Junqing, ZHAO Ge, WANG Ning. Characteristics of CO₂ Adsorption and Permeability of Porous Carbon-Nitrogen Membranes Coupling-regulated by Charge and Strain[J]. Journal of South China Normal University (Natural Science Edition), 2022, 54(2): 18-23. DOI: 10.6054/j.jscnun.2022021

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Characteristics of CO₂ Adsorption and Permeability of Porous Carbon-Nitrogen Membranes Coupling-regulated by Charge and Strain

Beijing Key Laboratory of Optical Detection Technology for Oil and Gas/China University of Petroleum(Beijing), Beijing 102249, China

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Received Date: July 22, 2021
Available Online: May 11, 2022

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Abstract

Abstract

In order to promote the development of new materials and technologies to effectively capture and separate CO₂, a new charge-and strain-controlled gas capture and permeation method is proposed, which has the advantages of reversibility and controllable dynamics. The molecular dynamics (MD) simulation and first-principles density function (DFT) calculation are used to analyze the effects of CO₂ capture and penetration on porous g-C₉N₇ nanosheets with different charge densities and stress controls. Through charge regulation, the molecular permeance of CO₂ can reach 5.94×10⁷ GPU (0.019 899 mol/(s·Pa·m²)). Under tensile strain conditions, the CO₂ permeance increases with the increase of tensile strain, and the maximum permeance of 7.5% tensile strain rate g-C₉N₇ membrane is 3.61×10⁷ GPU(0.012 094 mol/(s ·Pa ·m²)). More interestingly, a feasible way is explored to combine negative charge with strain engineering to study synergistic effects. When the negative charge is 1 e and the tensile strain rate is 3.0%, the CO₂ permeability reaches 3.18×10⁷ GPU(0.001 065 mol/(s ·Pa ·m²)), which is 9 times of that when only 1 e is added and 8 times of that when only 3.0% is added. These results provide useful guidance for the development of advanced materials with highly controllable CO₂ capture and separation properties.
- CO₂ permeance,
- C-N membrane,
- charge,
- strain,
- coupling adjustment

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References (20)

References

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