Detailed analysis of iso-Pentanol combustion chemistry in flames

Arnas Lucassen; Julia Warkentin; Nils Hansen; Sungwoo Park; Mani Sarathy

Detailed analysis of iso-Pentanol combustion chemistry in flames

Arnas Lucassen, Julia Warkentin, Nils Hansen, Sungwoo Park, Mani Sarathy

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

Abstract

In this study, two flames of iso-pentanol were stabilized on a 60-mm flat flame burner at a low pressure of 15 Torr and analyzed by a flame-sampling molecular-beam setup coupled to a mass spectrometer (MBMS). Singlephoton ionization by synchrotron-generated vacuum-UV radiation with high energy resolution (E/ΔE ∼0.04 eV) and/or electron ionization was combined with a custom-built reflectron time-of-flight spectrometer providing high mass resolution (m/Δm = 3000). Mole fraction profiles for more than 40 flame species and the temperature profile were determined experimentally. The flame temperatures were measured using OH laser induced fluorescence and used as input parameters for the model calculations. The experimental dataset was used to guide the development of a combustion chemistry model for the high-temperature oxidation chemistry of iso-pentanol. The chemical kinetic model is herein validated for the first time against detailed speciation profiles of combustion intermediates and product species including C5 branched aldehydes, enols, and alkenes. In a separated study, the model was validated against a number of different datasets including low and high temperature ignition delay in rapid compression machines and shock tubes, jet stirred reactor speciation data, premixed laminar flame speed, and opposed-flow diffusion flame strained extinction.

Original language	English (US)
Title of host publication	8th US National Combustion Meeting 2013
Publisher	Western States Section/Combustion Institute
Pages	3483-3488
Number of pages	6
ISBN (Print)	9781627488426
State	Published - Jan 1 2013

Bibliographical note

KAUST Repository Item: Exported on 2020-12-28
Acknowledgements: This research was funded, sponsored and supported by the Energy Frontier Research Center for Combustion Science
(Grant No. DE-SC0001198), Sandia Corporation (Contract DE-AC04-94-AL85000) and the Advanced Light Source at
Lawrence Berkeley Laboratories (Contract No. DE-AC02-05CH11231). We also thank the Foreign Internship Support
Grand of Bielefeld University. Coauthors from King Abdullah University of Science and Technology acknowledge
funding from the Clean Combustion Research Center (CCRC). The measurements are performed within the “Flame
Team” collaboration at the Advanced Light Source. We thank the students and postdocs for the help with the data
acquisition. The experiments have profited from the expert technical assistance of Paul Fugazzi.

Cite this

@inproceedings{e3bd369d766c431caddbd9af9e1a56d4,

title = "Detailed analysis of iso-Pentanol combustion chemistry in flames",

abstract = "In this study, two flames of iso-pentanol were stabilized on a 60-mm flat flame burner at a low pressure of 15 Torr and analyzed by a flame-sampling molecular-beam setup coupled to a mass spectrometer (MBMS). Singlephoton ionization by synchrotron-generated vacuum-UV radiation with high energy resolution (E/ΔE ∼0.04 eV) and/or electron ionization was combined with a custom-built reflectron time-of-flight spectrometer providing high mass resolution (m/Δm = 3000). Mole fraction profiles for more than 40 flame species and the temperature profile were determined experimentally. The flame temperatures were measured using OH laser induced fluorescence and used as input parameters for the model calculations. The experimental dataset was used to guide the development of a combustion chemistry model for the high-temperature oxidation chemistry of iso-pentanol. The chemical kinetic model is herein validated for the first time against detailed speciation profiles of combustion intermediates and product species including C5 branched aldehydes, enols, and alkenes. In a separated study, the model was validated against a number of different datasets including low and high temperature ignition delay in rapid compression machines and shock tubes, jet stirred reactor speciation data, premixed laminar flame speed, and opposed-flow diffusion flame strained extinction.",

author = "Arnas Lucassen and Julia Warkentin and Nils Hansen and Sungwoo Park and Mani Sarathy",

note = "KAUST Repository Item: Exported on 2020-12-28 Acknowledgements: This research was funded, sponsored and supported by the Energy Frontier Research Center for Combustion Science (Grant No. DE-SC0001198), Sandia Corporation (Contract DE-AC04-94-AL85000) and the Advanced Light Source at Lawrence Berkeley Laboratories (Contract No. DE-AC02-05CH11231). We also thank the Foreign Internship Support Grand of Bielefeld University. Coauthors from King Abdullah University of Science and Technology acknowledge funding from the Clean Combustion Research Center (CCRC). The measurements are performed within the “Flame Team” collaboration at the Advanced Light Source. We thank the students and postdocs for the help with the data acquisition. The experiments have profited from the expert technical assistance of Paul Fugazzi.",

year = "2013",

month = jan,

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language = "English (US)",

isbn = "9781627488426",

pages = "3483--3488",

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T1 - Detailed analysis of iso-Pentanol combustion chemistry in flames

AU - Lucassen, Arnas

AU - Warkentin, Julia

AU - Hansen, Nils

AU - Park, Sungwoo

AU - Sarathy, Mani

N1 - KAUST Repository Item: Exported on 2020-12-28 Acknowledgements: This research was funded, sponsored and supported by the Energy Frontier Research Center for Combustion Science (Grant No. DE-SC0001198), Sandia Corporation (Contract DE-AC04-94-AL85000) and the Advanced Light Source at Lawrence Berkeley Laboratories (Contract No. DE-AC02-05CH11231). We also thank the Foreign Internship Support Grand of Bielefeld University. Coauthors from King Abdullah University of Science and Technology acknowledge funding from the Clean Combustion Research Center (CCRC). The measurements are performed within the “Flame Team” collaboration at the Advanced Light Source. We thank the students and postdocs for the help with the data acquisition. The experiments have profited from the expert technical assistance of Paul Fugazzi.

PY - 2013/1/1

Y1 - 2013/1/1

N2 - In this study, two flames of iso-pentanol were stabilized on a 60-mm flat flame burner at a low pressure of 15 Torr and analyzed by a flame-sampling molecular-beam setup coupled to a mass spectrometer (MBMS). Singlephoton ionization by synchrotron-generated vacuum-UV radiation with high energy resolution (E/ΔE ∼0.04 eV) and/or electron ionization was combined with a custom-built reflectron time-of-flight spectrometer providing high mass resolution (m/Δm = 3000). Mole fraction profiles for more than 40 flame species and the temperature profile were determined experimentally. The flame temperatures were measured using OH laser induced fluorescence and used as input parameters for the model calculations. The experimental dataset was used to guide the development of a combustion chemistry model for the high-temperature oxidation chemistry of iso-pentanol. The chemical kinetic model is herein validated for the first time against detailed speciation profiles of combustion intermediates and product species including C5 branched aldehydes, enols, and alkenes. In a separated study, the model was validated against a number of different datasets including low and high temperature ignition delay in rapid compression machines and shock tubes, jet stirred reactor speciation data, premixed laminar flame speed, and opposed-flow diffusion flame strained extinction.

AB - In this study, two flames of iso-pentanol were stabilized on a 60-mm flat flame burner at a low pressure of 15 Torr and analyzed by a flame-sampling molecular-beam setup coupled to a mass spectrometer (MBMS). Singlephoton ionization by synchrotron-generated vacuum-UV radiation with high energy resolution (E/ΔE ∼0.04 eV) and/or electron ionization was combined with a custom-built reflectron time-of-flight spectrometer providing high mass resolution (m/Δm = 3000). Mole fraction profiles for more than 40 flame species and the temperature profile were determined experimentally. The flame temperatures were measured using OH laser induced fluorescence and used as input parameters for the model calculations. The experimental dataset was used to guide the development of a combustion chemistry model for the high-temperature oxidation chemistry of iso-pentanol. The chemical kinetic model is herein validated for the first time against detailed speciation profiles of combustion intermediates and product species including C5 branched aldehydes, enols, and alkenes. In a separated study, the model was validated against a number of different datasets including low and high temperature ignition delay in rapid compression machines and shock tubes, jet stirred reactor speciation data, premixed laminar flame speed, and opposed-flow diffusion flame strained extinction.

UR - http://hdl.handle.net/10754/666678

UR - https://research.kaust.edu.sa/en/publications/detailed-analysis-of-iso-pentanol-combustion-chemistry-in-flames

UR - http://www.scopus.com/inward/record.url?scp=84940223759&partnerID=8YFLogxK

M3 - Conference contribution

SN - 9781627488426

SP - 3483

EP - 3488

BT - 8th US National Combustion Meeting 2013

PB - Western States Section/Combustion Institute

ER -

Detailed analysis of iso-Pentanol combustion chemistry in flames

Abstract

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