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Adsorption thermodynamics of monomers on diluted-bonds triangular lattices

机译:稀释键三角晶格上单体的吸附热力学

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摘要

The surface of amorphous solids cannot be usually represented by a regular lattice of adsorbing sites. One of the main characteristics of such surfaces is a variable connectivity for each site. A simple model consisting of a triangular lattice where a fraction of bonds (interactions) is suppressed at random is used here to find out, by using Monte Carlo simulations, how the adsorption thermodynamics of repulsively interacting monomers is modified with respect to the same process in the regular lattice. Adsorption isotherm, differential heat of adsorption and adsorbed phase entropy calculations are carried out showing and interpreting the effects of the variable connectivity. In particular, it is found that the order-disorder phase transition observed for the regular lattice survives, though with modifications, above a critical mean connectivity.
机译:非晶态固体的表面通常不能用规则的吸附位点来表示。这种表面的主要特征之一是每个站点的连接性可变。这里使用一个由三角形晶格组成的简单模型,其中随机地抑制了一部分键(相互作用),通过使用蒙特卡洛模拟,发现相对于同一过程,排斥相互作用的单体的吸附热力学是如何改变的。规则晶格。进行吸附等温线,吸附热差和吸附相熵的计算,以显示和解释可变连接性的影响。特别地,发现对于规则晶格观察到的有序-无序相变在临界均值连通性之上仍然存在,尽管经过了修改。

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