Polanyi potential treatment

The present method meets the above requirement it consists of a convenient way of making successive graphical approximations to F(Q), using both 0 and 0 in graphical form. Actually, the method is patterned after the procedure described by Berenyi (3) for obtaining characteristic curves according to the Polanyi potential treatment of adsorption. The procedure is described more specifically below, but may be summarized as follows ... 

On the basis of London equation (9.31), Eyring and Polanyi calculated the potential energy surface, which is known as London-Eyring-Polanyi (LEP) surface. In this treatment, the coulombic energy A and exchange energy a for a diatomic molecule have been assumed to be the constant fractions of the... 

Another early attempt to incorporate chemieal reactions into molecular dynamics of shock waves was the use of the LEPS (London, Eyring, Polanyi, Sato) potential [4], originally developed in the 1930 s to model the H3 potential energy surface. This method can be applied to systems in which each atom interacts with exactly two nearest neighbors, and is therefore suitable for modeling one-dimensional reactive chains [5-6]. It provides a more realistic treatment of energy release as a function of bond formation but is not readily extended to more complex systems. 

An interpretation in terms of molecular potential—energy curves was advanced almost simultaneously by Horiuti and Polanyi and by Bell, " the two treatments corresponding respectively to a covalent and an ionic formulation. The former is probably closer to reality, and will be followed here. 

In 19, four years after the breakthrough of the Heitler-London quantum treatment of the H + H problem, Eyring and Polanyi provided the first potential energy surface describing the motion of three atoms (Fig. 2) ... 

An alternative approach to lAST/RAST which combines a thermodynamic treatment with a specific consideration of fluid-solid interactions is the potential theory of adsorption (Polanyi (1914)-Dubinin (1950)), especially in the form designed for multi-component mixtures pioneered by Shapiro and Stenby (1998). 

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