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

Yulia Demidova; IL Simakova; Johan Wärnå; A. Simakov; Dmitry Murzin

doi:10.1016/j.cej.2013.09.007

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

Yulia Demidova, IL Simakova, Johan Wärnå, A. Simakov, Dmitry Murzin

Laboratory of Industrial Chemistry and Reaction Engineering

Research output: Contribution to journal › Article › Scientific › peer-review

21 Citations (Scopus)

Abstract

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.

Original language	Undefined/Unknown
Pages (from-to)	164–171
Journal	Chemical Engineering Journal
Volume	238
Issue number	Special issue
DOIs	https://doi.org/10.1016/j.cej.2013.09.007
Publication status	Published - 2014
MoE publication type	A1 Journal article-refereed

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10.1016/j.cej.2013.09.007

Cite this

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title = "Kinetic modeling of one-pot myrtenol amination over Au/ZrO2 catalyst",

abstract = "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.",

author = "Yulia Demidova and IL Simakova and Johan W{\"a}rn{\aa} and A. Simakov and Dmitry Murzin",

note = "20th International Conference on Chemical Reactors (CHEMREACTOR) Dec 03-07, 2012, Luxemburg",

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AU - Demidova, Yulia

AU - Simakova, IL

AU - Wärnå, Johan

AU - Simakov, A.

AU - Murzin, Dmitry

N1 - 20th International Conference on Chemical Reactors (CHEMREACTOR) Dec 03-07, 2012, Luxemburg

PY - 2014

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AB - 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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DO - 10.1016/j.cej.2013.09.007

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