Publication Date:
2018-01-31
Description:
The adsorption and separation of CO 2 /N 2 mixture in the edge-functionalized nanoporous carbons (NPCs) were investigated by grand canonical Monte Carlo simulation. Results demonstrated that edge-functionalization effectively improved the pore structure characteristics of NPCs. The edge-functionalization can enhance the uptake of CO 2 /N 2 and the selectivity of CO 2 over N 2 in NPCs. The isosteric heat and radial distribution functions confirmed that temperature had a negative effect on the single-component adsorption of CO 2 /N 2 whereas pressure had a positive effect before adsorption reaches a stable equilibrium state. Overall, this work highlighted the effects of edge-functionalization on the adsorption and separation of CO 2 /N 2 in NPCs, and provided an effective strategy for designing and selecting solid adsorbents for carbon capture and storage.
Print ISSN:
1757-8981
Electronic ISSN:
1757-899X
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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