Litcius/Paper detail

What Is the Smallest Zeolite That Could Be Synthesized?**

Debdas Dhabal, Andressa A. Bertolazzo, Valeria Molinero

2022Angewandte Chemie International Edition14 citationsDOIOpen Access PDF

Abstract

Zeolites with a few unit cells are promising as catalyst and adsorbents. The quest to synthesize the smallest zeolites has recently resulted in 4 to 8 nm nanozeolites, about 2 to 4 unit cells. These findings pose the question of what is the smallest zeolite that could be obtained by hydrothermal synthesis. Here we address this question using molecular simulations and thermodynamic analysis. The simulations predict that amorphous precursors as small as 4 nm can crystallize zeolites, in agreement with the experiments. We find that interfacial forces dominate the structure of smaller particles, resulting in size-dependent compact isomers that have ring and pore distributions different from open framework zeolites. The instability of zeolites smaller than 3±0.5 nm precludes a classical mechanism of nucleation from solution or through assembly of small nanoslabs.

Topics & Concepts

ZeoliteNucleationAmorphous solidAdsorptionHydrothermal circulationChemical engineeringRing (chemistry)Materials scienceHydrothermal synthesisChemical physicsCatalysisUnit (ring theory)CrystallographyChemistryComputational chemistryNanotechnologyPhysical chemistryOrganic chemistryMathematicsMathematics educationEngineeringZeolite Catalysis and SynthesisMesoporous Materials and CatalysisCatalysis and Oxidation Reactions