High-pressure oxidation of propane

Hamid Hashemi*, Jakob M. Christensen, Lawrence B. Harding, Stephen J. Klippenstein, Peter Glarborg

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The oxidation properties of propane have been investigated by conducting experiments in a laminar flow reactor at a pressure of 100 bar and temperatures of 500–900 K. The onset temperature for reaction increased from 625 K under oxidizing conditions to 725 K under reducing conditions. A chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry. The rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically. Modeling predictions were in satisfactory agreement with the present data as well as shock tube data (6–61 bar) and flame speeds (1–5 bar) from literature.
Original languageEnglish
JournalProceedings of the Combustion Institute
Volume37
Issue number3
Pages (from-to)461-468
Number of pages8
ISSN1540-7489
DOIs
Publication statusPublished - 2019

Keywords

  • Propane
  • Combustion
  • High pressure
  • Reaction kinetics
  • LPG

Cite this

Hashemi, Hamid ; Christensen, Jakob M. ; Harding, Lawrence B. ; Klippenstein, Stephen J. ; Glarborg, Peter. / High-pressure oxidation of propane. In: Proceedings of the Combustion Institute. 2019 ; Vol. 37, No. 3. pp. 461-468.
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abstract = "The oxidation properties of propane have been investigated by conducting experiments in a laminar flow reactor at a pressure of 100 bar and temperatures of 500–900 K. The onset temperature for reaction increased from 625 K under oxidizing conditions to 725 K under reducing conditions. A chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry. The rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically. Modeling predictions were in satisfactory agreement with the present data as well as shock tube data (6–61 bar) and flame speeds (1–5 bar) from literature.",
keywords = "Propane, Combustion, High pressure, Reaction kinetics, LPG",
author = "Hamid Hashemi and Christensen, {Jakob M.} and Harding, {Lawrence B.} and Klippenstein, {Stephen J.} and Peter Glarborg",
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High-pressure oxidation of propane. / Hashemi, Hamid; Christensen, Jakob M.; Harding, Lawrence B.; Klippenstein, Stephen J.; Glarborg, Peter.

In: Proceedings of the Combustion Institute, Vol. 37, No. 3, 2019, p. 461-468.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - High-pressure oxidation of propane

AU - Hashemi, Hamid

AU - Christensen, Jakob M.

AU - Harding, Lawrence B.

AU - Klippenstein, Stephen J.

AU - Glarborg, Peter

PY - 2019

Y1 - 2019

N2 - The oxidation properties of propane have been investigated by conducting experiments in a laminar flow reactor at a pressure of 100 bar and temperatures of 500–900 K. The onset temperature for reaction increased from 625 K under oxidizing conditions to 725 K under reducing conditions. A chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry. The rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically. Modeling predictions were in satisfactory agreement with the present data as well as shock tube data (6–61 bar) and flame speeds (1–5 bar) from literature.

AB - The oxidation properties of propane have been investigated by conducting experiments in a laminar flow reactor at a pressure of 100 bar and temperatures of 500–900 K. The onset temperature for reaction increased from 625 K under oxidizing conditions to 725 K under reducing conditions. A chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry. The rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically. Modeling predictions were in satisfactory agreement with the present data as well as shock tube data (6–61 bar) and flame speeds (1–5 bar) from literature.

KW - Propane

KW - Combustion

KW - High pressure

KW - Reaction kinetics

KW - LPG

U2 - 10.1016/j.proci.2018.07.009

DO - 10.1016/j.proci.2018.07.009

M3 - Journal article

VL - 37

SP - 461

EP - 468

JO - Proceedings of the Combustion Institute

JF - Proceedings of the Combustion Institute

SN - 1540-7489

IS - 3

ER -