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Issue 43, 2010
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Zeolite synthesis: an energetic perspective

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Taking |D(H2O)x|[AlSiO4] based materials (where D is Li, Na, K, Rb or Cs) as an archetypal aluminosilicate system, we use accurate density functional theory calculations to demonstrate how the substitution of silicon cations in silica, with pairs of aluminium and (alkali metal) cations, changes the energetic ordering of different competing structure-types. For large alkali metal cations we further show that the formation of porous aluminosilicate structures, the so-called zeolites, is energetically favored. These findings unequivocally demonstrate that zeolites can be energetic preferred reaction products, rather than being kinetically determined, and that the size of the (hydrated) cations in the pore, be it inorganic or organic, is critical for directing zeolite synthesis.

Graphical abstract: Zeolite synthesis: an energetic perspective

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Article information

01 Jul 2010
06 Sep 2010
First published
11 Oct 2010

Phys. Chem. Chem. Phys., 2010,12, 14579-14584
Article type

Zeolite synthesis: an energetic perspective

M. A. Zwijnenburg and S. T. Bromley, Phys. Chem. Chem. Phys., 2010, 12, 14579
DOI: 10.1039/C0CP01045F

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