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Abstract
Zeolites are hydrated aluminosilicate mineral characterised by a uniform pore structure. Zeolite ZK-5 or KFI framework was synthesized due to it's important physicochemical characteristics. So far, computational material development has improved efficiency by identifying novel zeolites with desirable properties including system equilibrium and stability. Topological indices, which characterise KFI zolite's complex structure, can help researchers develop new techniques for studying the complex structure. Shannon's entropy modelling help us prototype and understand our zeolites element changes and complexity characteristics. Modelling and understanding these changes and relationships can help us improve our zeolite in the field of the microporous material by QSAR/QSPR studies. We have also studied accuracy of the cubic regression model between the derived degree type entropies of KFI zeolite and it's potential energy. Therefore, for investigating the property of large-shaped KFI zeolite, the anticipated cubic correlation analysis reveals a significant correlation with electrostatic, dispersion energies.
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