Normalized total interaction energy

Normalized total interaction energy (Ujc/k T) calculated with the classical DLVO theory (Equation 16.1) is represented in Figure 16.2. It can be observed that, imlike CAJ, CAJ - - CR did not show an energy barrier or maximum net repulsion between particles, llTmax- Considering that cloud... 

It is supposed that this displacement can occur only in the direction normal to the rupture surface, not parallel to the latter. When all the above distances are systematically varied until the minimum of the total interaction energy is reached, then the most probable position of all 6 centers of force is found. It appears that the distance between the Li nuclei in the outermost and the H nuclei in the second layer is smaller (by 0.00032 angstrom) than in the bulk of the crystal, and the distance between the H nuclei in the external and the Li nuclei in the penultimate layer is... 

In one approach, the stability of pseudoemulsion films can be predicted by calculating the total interaction energy for the thinning of a liquid film bounded by an air—water and a water-oil interface along the lines described earlier in Chapters 1 and 2. From this interaction energy, the disjoining pressure, which is the net pressure difference normal to the surface between the gas and oil phases and the bulk liquid from which the lamellae extend, can be calculated. Estimates of the disjoining and capil-... 

For the pure component i, the total interaction energy per mer is s ,. In a binary mixture, there are three kinds of interaction energies called 8 , 8, and 8 at normal pressure when there are only non-sp>ecific interactions between two components, where e is defined as the interaction energy of a mer belonging to component 1 when it is surroimded by z mers belonging to component 2. Therefore the total interaction energy p>er mer in a binary mixture can be written astLacombe Sanchez, 1976)... 

Asm is an antisymmetrizer operator between electrons from these two groups s and m which is usually expressed as a sum of the identity operator (1) and normalized permuting operator Pms Asm =l+pms. The total Hamiltonian is symmetric to any electron permutation. The interaction energy Vsm can be cast in terms of a direct Coulomb interaction and an exchange Coulomb interaction ... 

Ligand Energy Protein Energy Interaction Energy Total Energy Normalized Energy... 

The model described below is that previously given by White and Lassettre 22). The adsorbent is regarded as a plane-surfaced semiinfinite solid. The forces between the solid adsorbent and the adsorbed diatomic molecules are assumed to be centered at the positions of the component atoms of the molecule. The total interaction between the molecule and the surface is simply the sum of the atom-surface interactions (16, 22). The interaction potential for each atom of the adsorbed molecule is given by f zi) where Z is the distance of the i-th atom measured normal to the surface. Let the distance from the center of mass to the atoms of mass mi and m2, respectively be b and 2, as shown in Figure 1. The potential energy, V, of the adsorbed diatomic molecule is then... 

Another general conclusion that may be drawn from the study of the BS model is that adsorption site model (cf. Fig. 2) which is conventionally considered to be the basis for the theory of adsorption on heterogeneous surfaces [1] has its important limitations. It was shown in Ref. [28] that new adsorption sites may be created in the course of adsorption. These are not the minima of adsorption potential as the normal adsorption sites on a free surface but the minima of the total potential energy of an adsorbed molecule including the energy of interaction with neighbouring adsorbed molecules. In fact, the available results for BS appear to give monolayers that are nearly close packed (in two dimensions)... 

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