A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne

Snehasish Panigrahy; Jinhu Liang; Shashank S. Nagaraja; Zhaohong Zuo; Gihun Kim; Shijun Dong; Goutham Kukkadapu; William J. Pitz; Subith S. Vasu; Henry J. Curran

doi:10.1016/j.proci.2020.06.320

A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne

Snehasish Panigrahy, Jinhu Liang, Shashank S. Nagaraja, Zhaohong Zuo, Gihun Kim, Shijun Dong, Goutham Kukkadapu, William J. Pitz, Subith S. Vasu, Henry J. Curran

Sustainable World

Research output: Contribution to a Journal (Peer & Non Peer) › Conference article › peer-review

52 Citations (Scopus)

Abstract

New experimental data for ignition delay times (IDT), pyrolysis speciation profiles, and flame speed measurements are considered to investigate the combustion characteristics of propyne. IDT for propyne ignition were obtained at equivalence ratios of 0.5, 1.0, and 2.0 in ‘air’ at 10 and 30 bar, over a wide range of temperatures (690 K–1460 K) using a rapid compression machine and a high-pressure shock tube. Furthermore, experiments were conducted in a single-pulse shock tube to study propyne pyrolysis at 2 bar pressure and in the temperature range 1000 K–1600 K. Laminar flame speeds of propyne were examined at an unburned gas temperature of 373 K and at 1 and 2 bar for a range of equivalence ratios. This new mechanism showed remarkable improvements in the predictions for the IDT, fuel pyrolysis, and flame speeds for propyne compared to AramcoMech3.0. The improvement in fuel reactivity predictions in the new mechanism is due to the inclusion of the propyne + HO₂ reaction system along with OH radical addition to the triple bonds of propyne and subsequent reactions.

Original language	English
Pages (from-to)	479-488
Number of pages	10
Journal	Proceedings of the Combustion Institute
Volume	38
Issue number	1
DOIs	https://doi.org/10.1016/j.proci.2020.06.320
Publication status	Published - 2021
Event	38th International Symposium on Combustion, 2021 - Adelaide, Australia Duration: 24 Jan 2021 → 29 Jan 2021

Keywords

Ignition delay time
Kinetic modeling
Laminar flame speed
Propyne oxidation
Pyrolysis

Access to Document

10.1016/j.proci.2020.06.320

Cite this

@article{223c4f70bdb84e6daf616743dc44a291,

title = "A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne",

abstract = "New experimental data for ignition delay times (IDT), pyrolysis speciation profiles, and flame speed measurements are considered to investigate the combustion characteristics of propyne. IDT for propyne ignition were obtained at equivalence ratios of 0.5, 1.0, and 2.0 in {\textquoteleft}air{\textquoteright} at 10 and 30 bar, over a wide range of temperatures (690 K–1460 K) using a rapid compression machine and a high-pressure shock tube. Furthermore, experiments were conducted in a single-pulse shock tube to study propyne pyrolysis at 2 bar pressure and in the temperature range 1000 K–1600 K. Laminar flame speeds of propyne were examined at an unburned gas temperature of 373 K and at 1 and 2 bar for a range of equivalence ratios. This new mechanism showed remarkable improvements in the predictions for the IDT, fuel pyrolysis, and flame speeds for propyne compared to AramcoMech3.0. The improvement in fuel reactivity predictions in the new mechanism is due to the inclusion of the propyne + HO2 reaction system along with OH radical addition to the triple bonds of propyne and subsequent reactions.",

keywords = "Ignition delay time, Kinetic modeling, Laminar flame speed, Propyne oxidation, Pyrolysis",

author = "Snehasish Panigrahy and Jinhu Liang and Nagaraja, \{Shashank S.\} and Zhaohong Zuo and Gihun Kim and Shijun Dong and Goutham Kukkadapu and Pitz, \{William J.\} and Vasu, \{Subith S.\} and Curran, \{Henry J.\}",

year = "2021",

doi = "10.1016/j.proci.2020.06.320",

language = "English",

volume = "38",

pages = "479--488",

journal = "Proceedings of the Combustion Institute",

issn = "1540-7489",

publisher = "Elsevier Ltd",

number = "1",

note = "38th International Symposium on Combustion, 2021 ; Conference date: 24-01-2021 Through 29-01-2021",

}

TY - JOUR

T1 - A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne

AU - Panigrahy, Snehasish

AU - Liang, Jinhu

AU - Nagaraja, Shashank S.

AU - Zuo, Zhaohong

AU - Kim, Gihun

AU - Dong, Shijun

AU - Kukkadapu, Goutham

AU - Pitz, William J.

AU - Vasu, Subith S.

AU - Curran, Henry J.

PY - 2021

Y1 - 2021

N2 - New experimental data for ignition delay times (IDT), pyrolysis speciation profiles, and flame speed measurements are considered to investigate the combustion characteristics of propyne. IDT for propyne ignition were obtained at equivalence ratios of 0.5, 1.0, and 2.0 in ‘air’ at 10 and 30 bar, over a wide range of temperatures (690 K–1460 K) using a rapid compression machine and a high-pressure shock tube. Furthermore, experiments were conducted in a single-pulse shock tube to study propyne pyrolysis at 2 bar pressure and in the temperature range 1000 K–1600 K. Laminar flame speeds of propyne were examined at an unburned gas temperature of 373 K and at 1 and 2 bar for a range of equivalence ratios. This new mechanism showed remarkable improvements in the predictions for the IDT, fuel pyrolysis, and flame speeds for propyne compared to AramcoMech3.0. The improvement in fuel reactivity predictions in the new mechanism is due to the inclusion of the propyne + HO2 reaction system along with OH radical addition to the triple bonds of propyne and subsequent reactions.

AB - New experimental data for ignition delay times (IDT), pyrolysis speciation profiles, and flame speed measurements are considered to investigate the combustion characteristics of propyne. IDT for propyne ignition were obtained at equivalence ratios of 0.5, 1.0, and 2.0 in ‘air’ at 10 and 30 bar, over a wide range of temperatures (690 K–1460 K) using a rapid compression machine and a high-pressure shock tube. Furthermore, experiments were conducted in a single-pulse shock tube to study propyne pyrolysis at 2 bar pressure and in the temperature range 1000 K–1600 K. Laminar flame speeds of propyne were examined at an unburned gas temperature of 373 K and at 1 and 2 bar for a range of equivalence ratios. This new mechanism showed remarkable improvements in the predictions for the IDT, fuel pyrolysis, and flame speeds for propyne compared to AramcoMech3.0. The improvement in fuel reactivity predictions in the new mechanism is due to the inclusion of the propyne + HO2 reaction system along with OH radical addition to the triple bonds of propyne and subsequent reactions.

KW - Ignition delay time

KW - Kinetic modeling

KW - Laminar flame speed

KW - Propyne oxidation

KW - Pyrolysis

UR - https://www.scopus.com/pages/publications/85091456933

U2 - 10.1016/j.proci.2020.06.320

DO - 10.1016/j.proci.2020.06.320

M3 - Conference article

SN - 1540-7489

VL - 38

SP - 479

EP - 488

JO - Proceedings of the Combustion Institute

JF - Proceedings of the Combustion Institute

IS - 1

T2 - 38th International Symposium on Combustion, 2021

Y2 - 24 January 2021 through 29 January 2021

ER -

A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this