Kinetics and Products from o-Cresol Oxidation in Supercritical Water

Christopher J. Martino, Phillip E. Savage, John Kasiborski

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

Dilute aqueous solutions of o-cresol (2-methylphenol) were oxidized in a tubular flow reactor at near-critical and supercritical conditions. The power-law rate expression that best correlates the kinetics of o-cresol disappearance is rate = 105.7 exp(−29700/RT)[o-cresol]0.57[O2]0.22[H2O]1.44. The power-law rate expression that best correlates the experimental results for the conversion of organic carbon to CO2 is rate = 106.8 exp(−34000/RT)[TOC]°.34[O2]0.73[H2O]1.18. All concentrations are in moles per liter, the activation energy is in calories per mole, and the rate is in moles per liter per second. The most abundant products from o-cresol oxidation were typically phenol, 2-hydroxybenzaldehyde, 1,3-benzodioxole, indanone, CO, and C02. 2-Hydroxybenzaldehyde was the major primary product. A reanalysis of published kinetics data for the oxidation of two other ring-containing compounds (pyridine and 4-chlorophenol) in supercritical water revealed that the rate laws previously reported for these two compounds do not provide the best correlation of the experimental data. We report the new rate laws, which are similar to those for o-cresol, 2-chlorophenol, and phenol in that the global reaction orders are between 0.55 and 0.9 for the organic compounds and between 0.2 and 0.5 for oxygen.

Original languageEnglish (US)
Pages (from-to)1941-1951
Number of pages11
JournalIndustrial and Engineering Chemistry Research
Volume34
Issue number6
DOIs
StatePublished - Jun 1 1995

Fingerprint

Phenols
Oxidation
Kinetics
Water
Organic carbon
Organic compounds
Pyridine
Activation energy
Phenol
Oxygen
Carbon Monoxide
2-cresol
salicylaldehyde

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering

Cite this

Martino, Christopher J. ; Savage, Phillip E. ; Kasiborski, John. / Kinetics and Products from o-Cresol Oxidation in Supercritical Water. In: Industrial and Engineering Chemistry Research. 1995 ; Vol. 34, No. 6. pp. 1941-1951.
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Kinetics and Products from o-Cresol Oxidation in Supercritical Water. / Martino, Christopher J.; Savage, Phillip E.; Kasiborski, John.

In: Industrial and Engineering Chemistry Research, Vol. 34, No. 6, 01.06.1995, p. 1941-1951.

Research output: Contribution to journalArticle

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AB - Dilute aqueous solutions of o-cresol (2-methylphenol) were oxidized in a tubular flow reactor at near-critical and supercritical conditions. The power-law rate expression that best correlates the kinetics of o-cresol disappearance is rate = 105.7 exp(−29700/RT)[o-cresol]0.57[O2]0.22[H2O]1.44. The power-law rate expression that best correlates the experimental results for the conversion of organic carbon to CO2 is rate = 106.8 exp(−34000/RT)[TOC]°.34[O2]0.73[H2O]1.18. All concentrations are in moles per liter, the activation energy is in calories per mole, and the rate is in moles per liter per second. The most abundant products from o-cresol oxidation were typically phenol, 2-hydroxybenzaldehyde, 1,3-benzodioxole, indanone, CO, and C02. 2-Hydroxybenzaldehyde was the major primary product. A reanalysis of published kinetics data for the oxidation of two other ring-containing compounds (pyridine and 4-chlorophenol) in supercritical water revealed that the rate laws previously reported for these two compounds do not provide the best correlation of the experimental data. We report the new rate laws, which are similar to those for o-cresol, 2-chlorophenol, and phenol in that the global reaction orders are between 0.55 and 0.9 for the organic compounds and between 0.2 and 0.5 for oxygen.

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