Selective photocatalytic oxidation of cyclohexanol to cyclohexanone: A spectroscopic and kinetic study

M.R. Karimi Estahbanati, Mehrzad Feilizadeh, Alexandre Babin, Bastian Timo Mei, Guido Mul, Maria C. Iliuta

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

In this work, spectroscopic and kinetic studies were performed on photocatalytic oxidation of cyclohexanol to cyclohexanone. The photocatalytic experiments were performed according to a three-level full factorial design and the rate of cyclohexanone production was determined by HPLC analysis. In situ ATR-FTIR analysis of the photocatalytic reaction revealed that cyclohexanol can be selectively converted to cyclohexanone, without the formation of significant amounts of carbonates and carboxylates. A reaction mechanism based on different steps from charge separation to cyclohexanone molecule formation is proposed. The results were utilized to determine the kinetic parameters (with the help of genetic algorithm) and validate the model. The developed kinetic model illustrates that the rate of cyclohexanone production increases as a power function with respect to the light intensity and decreases as an exponential function with respect to time. An excellent selectivity of cyclohexanone was confirmed by spectroscopic and chromatographic studies. This study demonstrates that photocatalysis can be a promising technology for formation of cyclohexanone from cyclohexanol.
Original languageEnglish
Article number122732
JournalChemical Engineering Science: X
Volume382
Early online date6 Sep 2019
DOIs
Publication statusE-pub ahead of print/First online - 6 Sep 2019

Fingerprint

Cyclohexanols
Oxidation
Kinetics
Photocatalysis
Exponential functions
Kinetic parameters
Carbonates
Genetic algorithms
Molecules
Experiments
cyclohexanone

Keywords

  • UT-Hybrid-D
  • Cyclohexanone
  • ATR-FTIR
  • Kinetic model
  • Spectroscopy
  • Photocatalysis

Cite this

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title = "Selective photocatalytic oxidation of cyclohexanol to cyclohexanone: A spectroscopic and kinetic study",
abstract = "In this work, spectroscopic and kinetic studies were performed on photocatalytic oxidation of cyclohexanol to cyclohexanone. The photocatalytic experiments were performed according to a three-level full factorial design and the rate of cyclohexanone production was determined by HPLC analysis. In situ ATR-FTIR analysis of the photocatalytic reaction revealed that cyclohexanol can be selectively converted to cyclohexanone, without the formation of significant amounts of carbonates and carboxylates. A reaction mechanism based on different steps from charge separation to cyclohexanone molecule formation is proposed. The results were utilized to determine the kinetic parameters (with the help of genetic algorithm) and validate the model. The developed kinetic model illustrates that the rate of cyclohexanone production increases as a power function with respect to the light intensity and decreases as an exponential function with respect to time. An excellent selectivity of cyclohexanone was confirmed by spectroscopic and chromatographic studies. This study demonstrates that photocatalysis can be a promising technology for formation of cyclohexanone from cyclohexanol.",
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author = "{Karimi Estahbanati}, M.R. and Mehrzad Feilizadeh and Alexandre Babin and Mei, {Bastian Timo} and Guido Mul and Iliuta, {Maria C.}",
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Selective photocatalytic oxidation of cyclohexanol to cyclohexanone : A spectroscopic and kinetic study. / Karimi Estahbanati, M.R.; Feilizadeh, Mehrzad ; Babin, Alexandre; Mei, Bastian Timo; Mul, Guido ; Iliuta, Maria C.

In: Chemical Engineering Science: X, Vol. 382, 122732, 15.02.2020.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Selective photocatalytic oxidation of cyclohexanol to cyclohexanone

T2 - A spectroscopic and kinetic study

AU - Karimi Estahbanati, M.R.

AU - Feilizadeh, Mehrzad

AU - Babin, Alexandre

AU - Mei, Bastian Timo

AU - Mul, Guido

AU - Iliuta, Maria C.

N1 - Elsevier deal

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N2 - In this work, spectroscopic and kinetic studies were performed on photocatalytic oxidation of cyclohexanol to cyclohexanone. The photocatalytic experiments were performed according to a three-level full factorial design and the rate of cyclohexanone production was determined by HPLC analysis. In situ ATR-FTIR analysis of the photocatalytic reaction revealed that cyclohexanol can be selectively converted to cyclohexanone, without the formation of significant amounts of carbonates and carboxylates. A reaction mechanism based on different steps from charge separation to cyclohexanone molecule formation is proposed. The results were utilized to determine the kinetic parameters (with the help of genetic algorithm) and validate the model. The developed kinetic model illustrates that the rate of cyclohexanone production increases as a power function with respect to the light intensity and decreases as an exponential function with respect to time. An excellent selectivity of cyclohexanone was confirmed by spectroscopic and chromatographic studies. This study demonstrates that photocatalysis can be a promising technology for formation of cyclohexanone from cyclohexanol.

AB - In this work, spectroscopic and kinetic studies were performed on photocatalytic oxidation of cyclohexanol to cyclohexanone. The photocatalytic experiments were performed according to a three-level full factorial design and the rate of cyclohexanone production was determined by HPLC analysis. In situ ATR-FTIR analysis of the photocatalytic reaction revealed that cyclohexanol can be selectively converted to cyclohexanone, without the formation of significant amounts of carbonates and carboxylates. A reaction mechanism based on different steps from charge separation to cyclohexanone molecule formation is proposed. The results were utilized to determine the kinetic parameters (with the help of genetic algorithm) and validate the model. The developed kinetic model illustrates that the rate of cyclohexanone production increases as a power function with respect to the light intensity and decreases as an exponential function with respect to time. An excellent selectivity of cyclohexanone was confirmed by spectroscopic and chromatographic studies. This study demonstrates that photocatalysis can be a promising technology for formation of cyclohexanone from cyclohexanol.

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