High-pressure oxidation of propane

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

doi:10.1016/j.proci.2018.07.009

High-pressure oxidation of propane

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

^*Corresponding author for this work

Argonne National Laboratory

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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.

Original language	English
Journal	Proceedings of the Combustion Institute
Volume	37
Issue number	3
Pages (from-to)	461-468
Number of pages	8
ISSN	1540-7489
DOIs	https://doi.org/10.1016/j.proci.2018.07.009
Publication status	Published - 2019

Keywords

Propane
Combustion
High pressure
Reaction kinetics
LPG

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title = "High-pressure oxidation of propane",

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",

year = "2019",

doi = "10.1016/j.proci.2018.07.009",

language = "English",

volume = "37",

pages = "461--468",

journal = "Symposium (International) on Combustion",

issn = "1540-7489",

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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 - Symposium (International) on Combustion

JF - Symposium (International) on Combustion

SN - 1540-7489

IS - 3

ER -

High-pressure oxidation of propane

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