Cluster model DFT study of lactic acid dehydration over Fe and Sn-BEA zeolite

This paper is interested in mechanism of lactic acid (LA) adsorption and dehydration into acrylic acid (AA) over tin and iron beta zeolite (Sn- and Fe-BEA) catalysts. The electronic structure of clusters was calculated by <i>ab initio</i> density functional theory (DFT) method. The M<...

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Bibliographic Details
Main Authors: Izabela Czekaj, Natalia Sobuś
Format: Article
Language:English
Published: Growing Science 2019-06-01
Series:Current Chemistry Letters
Subjects:
DFT
Online Access:http://www.growingscience.com/ccl/Vol8/ccl_2019_17.pdf