Shock tube measurements of the reaction rates of OH with ketones at high temperatures

Jihad Badra; Ahmed Elwardany; Fethi Khaled; Subith S. Vasu; Aamir Farooq

Shock tube measurements of the reaction rates of OH with ketones at high temperatures

Jihad Badra, Ahmed Elwardany, Fethi Khaled, Subith S. Vasu, Aamir Farooq

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

Ketones are potential biofuel candidates and are also formed as intermediate products during the oxidation of large hydrocarbons or oxygenated fuels, such as alcohols and esters. This paper presents a shock tube study of the reaction rates of hydroxyl radicals (OH) with 2-butanone and 3-buten-2-one. The measurements were performed over the temperature range of 950 -1400 K near 1.5 atm. The OH profiles were monitored by the narrow-line-width ring-dye laser absorption of the well-characterized R₁(5) line in the OH A-X (0, 0) band near 306.69 nm. The measured reaction rate of 2-butanone with OH agreed well with the literature data, while we present the first high-temperature measurements for the reaction of OH with 3-buten-2-one. The following Arrhenius expressions are suggested over the temperature range of 950 -1450 K: K_c2H₅COCH₃+OH = 6.78× 10¹³exp(-2534/T)cm³mol^-1s^-1/K_c2H₃COCH₃+OH = 4.178× 10¹³exp(-2534/T)cm³mol^-1s^-1 The presence of the double bond in 3-buten-2-one causes the reaction rate constant with OH to show non-Arrhenius behavior and the rate increase as temperature decreases at lower temperatures.

Original language	English (US)
Title of host publication	Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013
Publisher	Combustion Institute
Pages	310-317
Number of pages	8
ISBN (Electronic)	9781629937199
State	Published - 2013
Event	Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013 - Clemson, United States Duration: Oct 13 2013 → Oct 16 2013

Other

Other	Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013
Country	United States
City	Clemson
Period	10/13/13 → 10/16/13

ASJC Scopus subject areas

Mechanical Engineering
Chemical Engineering(all)
Physical and Theoretical Chemistry

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@inproceedings{e539cfd8e489437f88b55aa59fa990dd,

title = "Shock tube measurements of the reaction rates of OH with ketones at high temperatures",

abstract = "Ketones are potential biofuel candidates and are also formed as intermediate products during the oxidation of large hydrocarbons or oxygenated fuels, such as alcohols and esters. This paper presents a shock tube study of the reaction rates of hydroxyl radicals (OH) with 2-butanone and 3-buten-2-one. The measurements were performed over the temperature range of 950 -1400 K near 1.5 atm. The OH profiles were monitored by the narrow-line-width ring-dye laser absorption of the well-characterized R1(5) line in the OH A-X (0, 0) band near 306.69 nm. The measured reaction rate of 2-butanone with OH agreed well with the literature data, while we present the first high-temperature measurements for the reaction of OH with 3-buten-2-one. The following Arrhenius expressions are suggested over the temperature range of 950 -1450 K: Kc2H5COCH3+OH = 6.78× 1013exp(-2534/T)cm3mol-1s-1/Kc2H3COCH3+OH = 4.178× 1013exp(-2534/T)cm3mol-1s-1 The presence of the double bond in 3-buten-2-one causes the reaction rate constant with OH to show non-Arrhenius behavior and the rate increase as temperature decreases at lower temperatures.",

author = "Jihad Badra and Ahmed Elwardany and Fethi Khaled and Vasu, {Subith S.} and Aamir Farooq",

year = "2013",

language = "English (US)",

pages = "310--317",

booktitle = "Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013",

publisher = "Combustion Institute",

note = "Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013 ; Conference date: 13-10-2013 Through 16-10-2013",

}

Badra, J, Elwardany, A, Khaled, F, Vasu, SS & Farooq, A 2013, Shock tube measurements of the reaction rates of OH with ketones at high temperatures. in Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013. Combustion Institute, pp. 310-317, Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013, Clemson, United States, 10/13/13.

Shock tube measurements of the reaction rates of OH with ketones at high temperatures. / Badra, Jihad; Elwardany, Ahmed; Khaled, Fethi; Vasu, Subith S.; Farooq, Aamir.

Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013. Combustion Institute, 2013. p. 310-317.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Shock tube measurements of the reaction rates of OH with ketones at high temperatures

AU - Badra, Jihad

AU - Elwardany, Ahmed

AU - Khaled, Fethi

AU - Vasu, Subith S.

AU - Farooq, Aamir

PY - 2013

Y1 - 2013

N2 - Ketones are potential biofuel candidates and are also formed as intermediate products during the oxidation of large hydrocarbons or oxygenated fuels, such as alcohols and esters. This paper presents a shock tube study of the reaction rates of hydroxyl radicals (OH) with 2-butanone and 3-buten-2-one. The measurements were performed over the temperature range of 950 -1400 K near 1.5 atm. The OH profiles were monitored by the narrow-line-width ring-dye laser absorption of the well-characterized R1(5) line in the OH A-X (0, 0) band near 306.69 nm. The measured reaction rate of 2-butanone with OH agreed well with the literature data, while we present the first high-temperature measurements for the reaction of OH with 3-buten-2-one. The following Arrhenius expressions are suggested over the temperature range of 950 -1450 K: Kc2H5COCH3+OH = 6.78× 1013exp(-2534/T)cm3mol-1s-1/Kc2H3COCH3+OH = 4.178× 1013exp(-2534/T)cm3mol-1s-1 The presence of the double bond in 3-buten-2-one causes the reaction rate constant with OH to show non-Arrhenius behavior and the rate increase as temperature decreases at lower temperatures.

AB - Ketones are potential biofuel candidates and are also formed as intermediate products during the oxidation of large hydrocarbons or oxygenated fuels, such as alcohols and esters. This paper presents a shock tube study of the reaction rates of hydroxyl radicals (OH) with 2-butanone and 3-buten-2-one. The measurements were performed over the temperature range of 950 -1400 K near 1.5 atm. The OH profiles were monitored by the narrow-line-width ring-dye laser absorption of the well-characterized R1(5) line in the OH A-X (0, 0) band near 306.69 nm. The measured reaction rate of 2-butanone with OH agreed well with the literature data, while we present the first high-temperature measurements for the reaction of OH with 3-buten-2-one. The following Arrhenius expressions are suggested over the temperature range of 950 -1450 K: Kc2H5COCH3+OH = 6.78× 1013exp(-2534/T)cm3mol-1s-1/Kc2H3COCH3+OH = 4.178× 1013exp(-2534/T)cm3mol-1s-1 The presence of the double bond in 3-buten-2-one causes the reaction rate constant with OH to show non-Arrhenius behavior and the rate increase as temperature decreases at lower temperatures.

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M3 - Conference contribution

AN - SCOPUS:84946227405

SP - 310

EP - 317

BT - Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013

PB - Combustion Institute

T2 - Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2013

Y2 - 13 October 2013 through 16 October 2013

ER -

Shock tube measurements of the reaction rates of OH with ketones at high temperatures

Abstract

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