Kinetic modeling of one-pot myrtenol amination over Au/ZrO2 catalyst

A1 Journal article (refereed)

Internal Authors/Editors

Publication Details

List of Authors: Yu.S. Demidova, I.L. Simakova, J. Wärnå, A. Simakov, D.Yu. Murzin
Publication year: 2014
Journal: Chemical Engineering Journal
Volume number: 238
Issue number: Special issue
Start page: 164
End page: 171
eISSN: 1873-3212


A perspective environmentally-benign one-pot approach to the synthesis of complicated amines by alcohol amination was investigated in this work by mathematical modeling using myrtenol, which represents a natural terpene alcohol, and aniline as model substrates. The reaction was studied in the presence of Au/ZrO2 catalyst in the temperature range 413-453 K under kinetic control. Mechanistic model taking into account catalyst deactivation was developed from a proposed reaction mechanism and corresponding kinetic equations were derived. Kinetic model was compared with experimental data through numerical data fitting showing good correspondence.

Last updated on 2020-26-02 at 03:03