Argon in a type a zeolite |
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Authors: | V A Bakaev L F Smirnova |
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Institution: | 1. Institute of Physical Chemistry, Academy of Sciences of the USSR, Moscow
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Abstract: | 1. |
The potential of the interaction of two similar atoms of a noble gas can be represented in the form of a Buckingham potential for which the principle of corresponding states is satisfied, one of the manifestations of this being the constancy of the complex C8/(R2C6) for different gases.
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In accordance to the principle of corresponding states the coefficient C8 in the Buckingham potential for adsorption interactions is 6 times greater than the value adopted at the present time in the theory of physical adsorption.
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In order to accelerate the calculation of the lattice sums in various calculations on the zeolites and other adsorbents it is possible to calculate the lattice sum by the usual method at reference points and write the result in the memory of a computer and in all the subsequent calculations to find the value of the lattice sum at a given point by interpolation. With an accuracy of 0.5% this method leads to an acceleration of the calculation by a factor of 2.103.
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