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To what extent can mutual shifting of folded carbonaceous walls in slit-like pores affect their adsorption properties?

机译:缝隙状孔中折叠式碳质壁的相互移动会在多大程度上影响其吸附性能?

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摘要

We have performed systematic Monte Carlo studies on the influence of shifting the walls in slit-like systems constructed from folded graphene sheets on their adsorption properties. Specifically, we have analysed the effect on the mechanism of argon adsorption (T = 87 K) and on adsorption and separation of three binary gas mixtures: CO2/N2, CO2/CH4 and CH4/N2 (T = 298 K). The effects of the changes in interlayer distance were also determined. We show that folding of the walls significantly improves the adsorption and separation properties in comparison to ideal slit-like systems. Moreover, we demonstrate that mutual shift of sheets (for small interlayer distances) causes the appearance of small pores between opposite bulges. This causes an increase in vapour adsorption at low pressures. Due to overlapping of interactions with opposite walls causing an increase in adsorption energy, the mutual shift of sheets is also connected with the rise in efficiency of mixtures separation. The effects connected with sheet orientation vanish as the interlayer distance increases.
机译:我们已经进行了系统的蒙特卡洛研究,研究了由折叠的石墨烯片构成的狭缝状系统中壁的移动对其吸附性能的影响。具体来说,我们分析了对氩气吸附机理(T = 87 K)以及对三种二元混合气的吸附和分离效果的影响:CO2 / N2,CO2 / CH4和CH4 / N2(T = 298 K)。还确定了层间距离变化的影响。我们表明,与理想的狭缝状系统相比,壁的折叠显着改善了吸附和分离性能。此外,我们证明了板的相互移动(对于较小的夹层距离)会导致在相对的凸起之间出现小孔。这导致低压下蒸气吸附的增加。由于与相对壁的相互作用重叠导致吸附能的增加,因此片材的相互移动也与混合物分离效率的提高有关。随着层间距离的增加,与纸张方向有关的效果消失。

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