Thermochemistry of microporous and mesoporous materials

Alexandra Navrotsky, Olga Trofyrnluk, Andrey A. Levchenko

Research output: Contribution to journalReview articlepeer-review

125 Scopus citations

Abstract

The thermodynamics of Zeolites, zeolite-related frame-works, and mesoporous silicas reflect a rich and closely balanced energy balanced energy landscape of competing energetic and entropic factors focuses on the energetics of two particular classes of generally metastable materials, the mesoporous and microporous framework structures represented by zeolites and their relatives. Thermal stability from a kinetic point of view is related to experimental conditions, where zeolites are synthesized under conditions in place of thermodynamic stability with respect to the starting material. The computer-assisted thermodynamic calculations offer additional insights into energetics of framework structures, facilitated by quantum mechanical calculations and molecular dynamic studies. Number of hydrated aluminosilicate zeolites can present a thermodynamic stability thereby indicating the exothermic enthalpy of hydration.

Original languageEnglish (US)
Pages (from-to)3885-3902
Number of pages18
JournalChemical reviews
Volume109
Issue number9
DOIs
StatePublished - Sep 9 2009
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)

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