Experimental and chemical kinetic study on the low temperature oxidation of 1,3-butadiene in a jet-stirred reactor

Geyuan Yin; Xin Lv; Erjiang Hu; Bo Xiao; Huixian Shen; Zuohua Huang

doi:10.1016/j.fuel.2022.123168

Experimental and chemical kinetic study on the low temperature oxidation of 1,3-butadiene in a jet-stirred reactor

Geyuan Yin
, Xin Lv
, Erjiang Hu
, Bo Xiao
, Huixian Shen
, Zuohua Huang

School of Energy and Power Engineering

Changan Automobile Co., Ltd.
Xi'an Jiaotong University

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Species concentrations for 1,3-butadiene oxidation were measured in a jet-stirred reactor (JSR) at ϕ = 0.5, 1.0 and 2.0, at 1 atm, in the temperature range of 650 to 1200 K and the residence time of 2 s. AramcoMech 3.0 was modified based on the high-level quantum calculated rate coefficients published, including OH/H/HO₂ addition to 1,3-butadiene and subsequent reactions. The modified model was validated against the measured species concentrations in this work and ignition delay times, laminar flame speeds proposed in literatures. Good agreement with experimental data can be observed. In addition, kinetic investigation was carried out. Flux analysis and sensitivity analysis showed that OH/H addition reactions play important roles in determining the reactivity in 1,3-butadiene consumption.

Original language	English
Article number	123168
Journal	Fuel
Volume	315
DOIs	https://doi.org/10.1016/j.fuel.2022.123168
State	Published - 1 May 2022

Keywords

1,3-Butadiene oxidation
Chemical kinetic model
Jet-stirred reactor
Species concentration

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10.1016/j.fuel.2022.123168

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title = "Experimental and chemical kinetic study on the low temperature oxidation of 1,3-butadiene in a jet-stirred reactor",

abstract = "Species concentrations for 1,3-butadiene oxidation were measured in a jet-stirred reactor (JSR) at ϕ = 0.5, 1.0 and 2.0, at 1 atm, in the temperature range of 650 to 1200 K and the residence time of 2 s. AramcoMech 3.0 was modified based on the high-level quantum calculated rate coefficients published, including OH/H/HO2 addition to 1,3-butadiene and subsequent reactions. The modified model was validated against the measured species concentrations in this work and ignition delay times, laminar flame speeds proposed in literatures. Good agreement with experimental data can be observed. In addition, kinetic investigation was carried out. Flux analysis and sensitivity analysis showed that OH/H addition reactions play important roles in determining the reactivity in 1,3-butadiene consumption.",

keywords = "1,3-Butadiene oxidation, Chemical kinetic model, Jet-stirred reactor, Species concentration",

author = "Geyuan Yin and Xin Lv and Erjiang Hu and Bo Xiao and Huixian Shen and Zuohua Huang",

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year = "2022",

month = may,

day = "1",

doi = "10.1016/j.fuel.2022.123168",

language = "英语",

volume = "315",

journal = "Fuel",

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T1 - Experimental and chemical kinetic study on the low temperature oxidation of 1,3-butadiene in a jet-stirred reactor

AU - Yin, Geyuan

AU - Lv, Xin

AU - Hu, Erjiang

AU - Xiao, Bo

AU - Shen, Huixian

AU - Huang, Zuohua

PY - 2022/5/1

Y1 - 2022/5/1

N2 - Species concentrations for 1,3-butadiene oxidation were measured in a jet-stirred reactor (JSR) at ϕ = 0.5, 1.0 and 2.0, at 1 atm, in the temperature range of 650 to 1200 K and the residence time of 2 s. AramcoMech 3.0 was modified based on the high-level quantum calculated rate coefficients published, including OH/H/HO2 addition to 1,3-butadiene and subsequent reactions. The modified model was validated against the measured species concentrations in this work and ignition delay times, laminar flame speeds proposed in literatures. Good agreement with experimental data can be observed. In addition, kinetic investigation was carried out. Flux analysis and sensitivity analysis showed that OH/H addition reactions play important roles in determining the reactivity in 1,3-butadiene consumption.

AB - Species concentrations for 1,3-butadiene oxidation were measured in a jet-stirred reactor (JSR) at ϕ = 0.5, 1.0 and 2.0, at 1 atm, in the temperature range of 650 to 1200 K and the residence time of 2 s. AramcoMech 3.0 was modified based on the high-level quantum calculated rate coefficients published, including OH/H/HO2 addition to 1,3-butadiene and subsequent reactions. The modified model was validated against the measured species concentrations in this work and ignition delay times, laminar flame speeds proposed in literatures. Good agreement with experimental data can be observed. In addition, kinetic investigation was carried out. Flux analysis and sensitivity analysis showed that OH/H addition reactions play important roles in determining the reactivity in 1,3-butadiene consumption.

KW - 1,3-Butadiene oxidation

KW - Chemical kinetic model

KW - Jet-stirred reactor

KW - Species concentration

UR - https://www.scopus.com/pages/publications/85122624292

U2 - 10.1016/j.fuel.2022.123168

DO - 10.1016/j.fuel.2022.123168

M3 - 文章

AN - SCOPUS:85122624292

SN - 0016-2361

VL - 315

JO - Fuel

JF - Fuel

M1 - 123168

ER -

Experimental and chemical kinetic study on the low temperature oxidation of 1,3-butadiene in a jet-stirred reactor

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Keywords

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