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Physical Adsorption of Ar and CO_2 on C_60 Fullerene

机译:Ar和CO_2在C_60富勒烯上的物理吸附

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摘要

Ar and CO_2 physisorption on a very well crystallized sample of fullerene C_60 was studied by means of Monte Carlo computer simulations. Ar and CO_2 experimental isotherms were determined on high-purity C_60 to fit the potential parameters. Analysis of the structure of the adsorbed film indicated that both gases are adsorbed in the voids of the C_60 structure in a solid state with densities slightly larger than the bulk solid. Both gases exhibited a behavior similar to nitrogen. The cross-sectional area found for Ar is 0.121 nm~2. The existence of three adsorption sites found previously has been confirmed.
机译:通过蒙特卡洛计算机模拟研究了在非常结晶的富勒烯C_60样品上Ar和CO_2的物理吸附。在高纯度C_60上确定Ar和CO_2实验等温线以拟合潜在参数。对吸附膜的结构的分析表明,两种气体均以固态略微大于堆积固体的密度吸附在C_60结构的空隙中。两种气体都表现出类似于氮气的行为。 Ar的截面积为0.121nm〜2。先前已发现存在三个吸附位点。

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