کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6456116 | 1419841 | 2017 | 7 صفحه PDF | دانلود رایگان |
- The CNT induces the one-sided fluorinated graphene sheet to form F-CNS.
- The one-sided F-CNS is a promising candidate for high selective CO2 capture.
- The one-sided F-CNS interacts strongly with CO2 molecules compared with CO and C2H2.
Carbon nanoscrolls have shown great potential in gas adsorption and storage. In this paper, a feasible method for synthesizing one-sided fluorine doped carbon nanoscroll (F-CNS) is proposed, and the adsorption behavior of CO2, CO and C2H2 on one-sided F-CNS has been firstly investigated via Grand Canonical Monte Carlo calculations. It is demonstrated that the one-sided F-CNS possesses outstanding CO2 uptake with good CO2/CO and CO2/C2H2 selectivity compared with pristine CNS. Specially, at 300Â K and 1Â bar, one-sided F-CNS shows a CO2 uptake of 68.87Â mmol/mol and CO uptake of 12.09Â mmol/mol, which is much higher than those of CO2 (16.6Â mmol/mol) and CO (6.02Â mmol/mol) for pristine CNS. Furthermore, our results demonstrate that the excellent selective CO2 adsorption capacity of one-sided F-CNS is owing to its stronger interactions with CO2 molecules than CO and C2H2 molecules. Our research suggests that one-sided F-CNS is a promising candidate for high selective CO2 capture.
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Journal: Journal of CO2 Utilization - Volume 21, October 2017, Pages 429-435