Theoretical analysis of the thermodynamics of ZSM-11 zeolite synthesis

V. Shen, Karen Watanabe-Sailor, A. T. Bell

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Theoretical methods are used to analyze the thermodynamics of ZSM-11 synthesis from amorphous silica and an aqueous solution of tetraalkylammonium hydroxide (TAAOH). The overall process is represented by the reaction 96SiO2(a) + n(TAA+/OH-/200H2O) = (nTAA+/Zn-) + 200nH2O. Both tetrapropylammonium (TPA+) and tetrabutylammonium (TBA+) cations are considered as the structure-directing agents, and calculations are performed for occlusion of either three or four TAA+ cations per unit cell of the zeolite. Both estimates of the change in internal energy and Gibbs free energy reveal that the synthesis of ZSM-11 should be favored by the occlusion of three TBA+ cations per unit cell, consistent with experimental observation. The present analysis also demonstrates the importance of energy and entropy changes associated with the dehydration of TAA+ and OH- ions and with the occlusion of TAA+ cations into the zeolite. The interactions of OH- anions with the zeolite framework to form defects in the form of siloxy (≡SiO-) groups are also considered.

Original languageEnglish (US)
Pages (from-to)2207-2212
Number of pages6
JournalJournal of Physical Chemistry B
Volume101
Issue number12
StatePublished - Mar 20 1997
Externally publishedYes

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Zeolites
Cations
occlusion
Positive ions
Thermodynamics
cations
thermodynamics
synthesis
Gibbs free energy
cells
internal energy
Dehydration
dehydration
Silicon Dioxide
hydroxides
Anions
Entropy
Negative ions
Silica
Ions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Shen, V., Watanabe-Sailor, K., & Bell, A. T. (1997). Theoretical analysis of the thermodynamics of ZSM-11 zeolite synthesis. Journal of Physical Chemistry B, 101(12), 2207-2212.

Theoretical analysis of the thermodynamics of ZSM-11 zeolite synthesis. / Shen, V.; Watanabe-Sailor, Karen; Bell, A. T.

In: Journal of Physical Chemistry B, Vol. 101, No. 12, 20.03.1997, p. 2207-2212.

Research output: Contribution to journalArticle

Shen, V, Watanabe-Sailor, K & Bell, AT 1997, 'Theoretical analysis of the thermodynamics of ZSM-11 zeolite synthesis', Journal of Physical Chemistry B, vol. 101, no. 12, pp. 2207-2212.
Shen V, Watanabe-Sailor K, Bell AT. Theoretical analysis of the thermodynamics of ZSM-11 zeolite synthesis. Journal of Physical Chemistry B. 1997 Mar 20;101(12):2207-2212.
Shen, V. ; Watanabe-Sailor, Karen ; Bell, A. T. / Theoretical analysis of the thermodynamics of ZSM-11 zeolite synthesis. In: Journal of Physical Chemistry B. 1997 ; Vol. 101, No. 12. pp. 2207-2212.
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