Kirkwood-Muller formula

The dispersion and repulsion interactions form the Lennard-Jones (Barrer, 1978 Masel, 1996 Razmus and Hall, 1991 Gregg and Sing, 1982 Steele, 1974 Adamson, 1976 Rigby et al., 1986) potential, with an equilibrium distance (r0) where 4 d + 4 r = 0. This distance is taken as the mean of the van der Waals radii of the interacting pair. Once the attractive, dispersion constant, A, is known, B is readily obtained by setting at chp/dr = 0 at r0. Hence, B = Ar /2. The most commonly used expression for calculating A is the Kirkwood-Muller formula ... 

Kirkwood-Muller formula, potential energies for adsorption, 83... 

Kirkwood-Muller formula, 83 Lennard-Jones potential, 83 nonspecific contributions, 82 pillared clays, 120... 

In addition, z is the internuclear distance between the adsorbate and adsorbent molecules, (L - ds) is the effective pore width, and Aas is the dispersion constant, which takes into account the adsorbate-adsorbent interaction. The term Aas is calculated with the help of the Kirkwood-Muller formula [8,13,17-19]... 

Finally, Aaa, calculated with the help of the Kirkwood-Muller formula, is the constant characterizing the adsorbate-adsorbate interactions [2,13,17] ... 

Accurate values for the coefficient of the induced-dipole-induced-dipole term, Ce, have been obtained for a number of like and unlike interactions. Kramer and Herschbach used three empirical combination rules and approximate London and Kirkwood-Muller formulas to calculate values of Ce for 153 unlike interactions from the Ce-coefficients of the pure components. They find that a combination rule suggested by Moelwyn-Hughes ... 

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