Different Zeolite Phases Obtained with the Same Organic Structure Directing Agent in the Presence and Absence of Aluminum: The Directing Role of Aluminum in the Synthesis of Zeolites

Zeolites are a large family of crystalline microporous materials with, mainly, silicate and aluminosilicate composition. Each topology can only be synthesized in specific range aluminum content, Al/(Si + Al), within the interval [0–0.5], this cannot, general, predicted for each structure. Aluminum organic structure directing agents (OSDAs), among others, act together obtaining zeolite phase under synthesis condition. The present study is an attempt to rationalize role as agent zeolites using computational chemistry based on criteria energetic stability both force field periodic DFT methods. A proper selection cases which, same OSDA, different phases obtained presence absence helps how contributes relative competing considered.