Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
148049 | Chemical Engineering Journal | 2014 | 8 Pages |
•One-pot myrtenol amination with aniline over Au/ZrO2 catalyst at 413–453 K.•Detailed mechanistic model involving catalyst deactivation.•Good correspondence between experiments and calculations.
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.
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