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Physical adsorption of simple gases on the (111) face of sulfur; a model for the adsorption by heterogeneous surfaces, including lateral interactions

机译:简单气体在硫的(111)面上的物理吸附;异质表面吸附的模型,包括横向相互作用

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摘要

As revealed by previous ab initio calculations, the surface of the (111) face of rhombic sulfur is characterized by heterogeneous but low adsorption energies. This implies relatively important contributions from lateral interactions in the adsorption mechanism. A theoretical model is presented for this case, also taking into account the random distribution of the sites. One assumes a local Fowler-Guggenheim isotherm and that the adsorption energies have a skew-Gaussian distribution with a non-zero minimum value. The resulting isotherm is tested in a satisfactory way with the data obtained for nitrogen, argon, methane and neopentane adsorption in the submonolayer region.
机译:如先前的从头算计算所揭示的那样,菱形硫的(111)面的表面具有异质但吸附能低的特征。这暗示了在吸附机理中横向相互作用的相对重要的贡献。针对这种情况,提出了一个理论模型,同时考虑了站点的随机分布。一个假设是局部的Fowler-Guggenheim等温线,并且吸附能具有偏高斯分布,其最小值非零。用获得的亚单层区域中氮,氩,甲烷和新戊烷吸附的数据以令人满意的方式测试所得的等温线。

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