1. Cell-Theoretical and Molecular-Statistical Treatment of the Pore Pilling OP Pentasil-Type Zeolites by Benzene Molecules
- Author
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K. Piedler, R. Wendt, J. Jänchen, H. Stach, B. Grauert, and H. Spindler
- Subjects
chemistry.chemical_compound ,Adsorption ,Chemistry ,Isostere ,Computational chemistry ,Monte Carlo method ,Molecule ,Thermodynamics ,Adsorption equilibrium ,Physics::Chemical Physics ,Type (model theory) ,Benzene - Abstract
Analyzing the experimental measured data of the adsorption equilibrium of benzene on silicalite (using the techniques of isostere, isotherm and calorimetric measurements) it was found that none of the well-known simple isotherm equations were able to describe curves measured. Monte Carlo calculations showed that the adsorbed molecules prefered special locations in the different channel sections thus allowing to discriminate special adsorption sites and to find the dominating terms of the partition functions. Using equations of the cell theory it was possible to calculate the adsorption energies (and entropies) as well as the occupation probabilities of the individual adsorption sites and thus to derive a simple model of the pore filling.
- Published
- 1988
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