Surfaces nearest neighbor interactions

One may consider a molecule in the surface region as being in a state intermediate between that in the vapor phase and that in the liquid. Skapski [11] has made the following simplified analysis. Considering only nearest-neighbor interactions, if n, and denote the number of nearest neighbors in the interior of the liquid and the surface region, respectively, then, per molecule... 

Make the following approximate calculations for the surface energy per square centimeter of solid krypton (nearest-neighbor distance 3.97 A), and compare your results with those of Table VII-1. (a) Make the calculations for (100), (110), and (111) planes, considering only nearest-neighbor interactions, (b) Make the calculation for (100) planes, considering all interactions within a radius defined by the sum... 

To treat the orientational structure of the monolayer formed by 02 molecules on a graphite surface, allowance must be made for the fact that an oxygen molecule is characterized not only by a nonzero magnetic moment but also by a record small quadrupole moment, so that dispersion interactions prevail over quadrupole interactions at intermolecular distances shorter than 10 A.79 In addition, the adsorbate lattice parameters give rise to very small minimum intermolecular distances, a 3.3 A, the parameter b 8.1 A markedly exceeding the values a. That is why, it is sufficient to consider only the nearest-neighbor interactions in a... 

It is apparent that consideration of only one nearest-neighbor interaction is a greatly simplified way to represent a surface however, it is not apparent that consideration of no nearest-neighbor interactions is a significantly worse way to represent the surface. 

Recently, the kinetics of faceting was studied using a Monte Carlo simulation (109). Evaporation-condensation and surface diffusion were considered for the simple cubic crystal with nearest- and next-nearest-neighbor interactions. It was... 

The nearest-neighbor interaction between two adsorbed Ar atoms on the surface is repulsive and equal to. 27 kJ/mole. Thus,... 

Lattice Monte Carlo (LMC) simulations are another approach for the study of the principles of liquids thermodynamics. In these simulations it is assumed that molecule-like objects can occupy one or more sites of a predefined regular lattice. Mostly, only nearest-neighbor interactions of the objects are allowed, resulting in a kind of surface interaction, Ey, between objects, i and j, on neighboring lattice sites. Given certain mole fractions xt of the different objects, the configuration space of such a lattice... 

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