Structural and physico-chemical properties of high-silica mordenite

The structural and physico-chemical properties of high-silica mordenite (MOR) zeolite were investigated using chemical computational techniques and then the results obtained were compared with our experimental data. With an increase in the size of structure model in which each four non-equivalent crystallographic tetrahedral site (T site) was substituted by Al atom, the order of stabilization energy varied. However, T3 site present in side pocket was energetically the most stable one among these four sites regardless of the model employed, namely it was found that Al atom is preferentially sitting in the T3 site of MOR zeolite.