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

Teknillisen kemian ja reaktiotekniikan laboratorio

Tutkimustuotos: Lehtiartikkeli › Artikkeli › Tieteellinen › vertaisarvioitu

21 Sitaatiot (Scopus)

Abstrakti

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.

Alkuperäiskieli	Ei tiedossa
Sivut	164–171
Julkaisu	Chemical Engineering Journal
Vuosikerta	238
Numero	Special issue
DOI - pysyväislinkit	https://doi.org/10.1016/j.cej.2013.09.007
Tila	Julkaistu - 2014
OKM-julkaisutyyppi	A1 Julkaistu artikkeli, soviteltu

Pääsy asiakirjaan

10.1016/j.cej.2013.09.007

Viittausmuodot

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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",

year = "2014",

doi = "10.1016/j.cej.2013.09.007",

language = "Odefinierat/ok{\"a}nt",

volume = "238",

pages = "164–171",

journal = "Chemical Engineering Journal",

issn = "1385-8947",

publisher = "Elsevier",

number = "Special issue",

}

TY - JOUR

T1 - Kinetic modeling of one-pot myrtenol amination over Au/ZrO2 catalyst

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

Y1 - 2014

N2 - 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.

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.

U2 - 10.1016/j.cej.2013.09.007

DO - 10.1016/j.cej.2013.09.007

M3 - Artikel

SN - 1385-8947

VL - 238

SP - 164

EP - 171

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

IS - Special issue

ER -