Kinetic model for reactions of indole under supercritical water gasification conditions

Yang Guo, Shuzhong Wang, Chad M. Huelsman, Phillip E. Savage

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

We developed a quantitative kinetics model for the homogeneous decomposition and gasification of indole in supercritical water at 550-650°C based on a reaction network with 17 separate reaction pathways. The model accurately describes the effects of time, temperature, and initial concentrations on the concentrations of intermediate products such as aniline, toluene, and benzene as well as the terminal gaseous products such as H2, CH4, and CO2. Modeling revealed that three steps are most important for H2 production. Ring-opening of indole to form aniline is the fastest such step during the first few minutes at 600°C, depletion of the large variety of gasifiable products dominates at times between 5 and 55min, and water gas shift is the main H2-producing reaction at longer times. The model also revealed that some of the potential pathways were kinetically insignificant at 600°C. Such paths included methanation, gasification of benzene, steam reforming of indole, and formation of CO, CO2, and C2H6 from intermediate products.

Original languageEnglish (US)
Pages (from-to)327-335
Number of pages9
JournalChemical Engineering Journal
Volume241
DOIs
StatePublished - Apr 1 2014

Fingerprint

Gasification
Aniline
Benzene
kinetics
benzene
Kinetics
Water
Methanation
Water gas shift
Steam reforming
Toluene
Carbon Monoxide
toluene
water
decomposition
Decomposition
gas
modeling
indole
gasification

All Science Journal Classification (ASJC) codes

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

Cite this

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Kinetic model for reactions of indole under supercritical water gasification conditions. / Guo, Yang; Wang, Shuzhong; Huelsman, Chad M.; Savage, Phillip E.

In: Chemical Engineering Journal, Vol. 241, 01.04.2014, p. 327-335.

Research output: Contribution to journalArticle

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AU - Guo, Yang

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AU - Savage, Phillip E.

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AB - We developed a quantitative kinetics model for the homogeneous decomposition and gasification of indole in supercritical water at 550-650°C based on a reaction network with 17 separate reaction pathways. The model accurately describes the effects of time, temperature, and initial concentrations on the concentrations of intermediate products such as aniline, toluene, and benzene as well as the terminal gaseous products such as H2, CH4, and CO2. Modeling revealed that three steps are most important for H2 production. Ring-opening of indole to form aniline is the fastest such step during the first few minutes at 600°C, depletion of the large variety of gasifiable products dominates at times between 5 and 55min, and water gas shift is the main H2-producing reaction at longer times. The model also revealed that some of the potential pathways were kinetically insignificant at 600°C. Such paths included methanation, gasification of benzene, steam reforming of indole, and formation of CO, CO2, and C2H6 from intermediate products.

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