Article ID Journal Published Year Pages File Type
9614483 Journal of Molecular Catalysis A: Chemical 2005 8 Pages PDF
Abstract
Conversions of acetaldehyde to hydroxyethylene, acetone to 2-hydroxypropylene, butanone to 2-hydroxybutene and 2-pentanone to 2-hydroxypentene catalyzed by H-ZSM-5 have been theoretically studied using quantum chemical methods. Three steps of the reaction mechanism were found and thermodynamic properties of each reaction steps and equilibrium constants of overall reaction have been obtained. The activation energies of all conversion reactions derived at three different methods are reported.
Related Topics
Physical Sciences and Engineering Chemical Engineering Catalysis
Authors
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