Cavity function generalized

Now, we would like to comment on some general features of the solutions of integral equations for the local density. We use superscripts H and P to abbreviate the solutions of the HNCl and PYl equations (6) and (7), respectively. By considering the limiting behavior of the cavity functions inside the solid one obtains... 

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The constants K depend upon the volume of the solvent molecule (assumed to be spherica in slrape) and the number density of the solvent. ai2 is the average of the diameters of solvent molecule and a spherical solute molecule. This equation may be applied to solute of a more general shape by calculating the contribution of each atom and then scaling thi by the fraction of fhat atom s surface that is actually exposed to the solvent. The dispersioi contribution to the solvation free energy can be modelled as a continuous distributioi function that is integrated over the cavity surface [Floris and Tomasi 1989]. 

The flow process in an injection mould is complicated by the fact that the mould cavity walls are below the freezing point of the polymer melt. In these circumstances the technologist is generally more concerned with the ability to fill the cavity rather than with the magnitude of the melt viscosity. In one analysis made of the injection moulding situation, Barrie showed that it was possible to calculate a mouldability index (p.) for a melt which was a function of the flow parameters K and the thermal diffusivity and the relevant processing temperatures (melt temperature and mould temperature) but which was independent of the geometry of the cavity and the flow pattern within the cavity. 

This equation does not contain any information about sizes of the Onsager cavity and function of interaction and hence, this relation is quite general. If cos y is close to unity, the expression can be simplified ... 

The more incisive calculation of Springett, et al., (1968) allows the trapped electron wave function to penetrate into the liquid a little, which results in a somewhat modified criterion often quoted as 47r/)y/V02< 0.047 for the stability of the trapped electron. It should be noted that this criterion is also approximate. It predicts correctly the stability of quasi-free electrons in LRGs and the stability of trapped electrons in liquid 3He, 4He, H2, and D2, but not so correctly the stability of delocalized electrons in liquid hydrocarbons (Jortner, 1970). The computed cavity radii are 1.7 nm in 4He at 3 K, 1.1 nm in H2 at 19 K, and 0.75 nm in Ne at 25 K (Davis and Brown, 1975). The calculated cavity radius in liquid He agrees well with the experimental value obtained from mobility measurements using the Stokes equation p = eMriRr], with perfect slip condition, where TJ is liquid viscosity (see Jortner, 1970). Stokes equation is based on fluid dynamics. It predicts the constancy of the product Jit rj, which apparently holds for liquid He but is not expected to be true in general. 

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