Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Measurements of Propanal Ignition Delay Times and Species Time Histories Using Shock Tube and Laser Absorption

Journal Article · · International Journal of Chemical Kinetics
DOI:https://doi.org/10.1002/kin.21024· OSTI ID:1533186
 [1];  [2]
  1. Univ. of Central Florida, Orlando, FL (United States); DOE/OSTI
  2. Univ. of Central Florida, Orlando, FL (United States)
Propanal is an aldehyde intermediate formed during the hydrocarbon combustion process. Potentially, the use of oxygenated biofuels reduces greenhouse gas emissions; however, it also results in increased toxic aldehyde by-products, mainly formaldehyde, acetaldehyde, acrolein, and propanal. These aldehydes are carcinogenic, and therefore it is important to understand their formation and destruction pathways in combustion systems. In this work, ignition delay times were measured behind reflected shock waves for stoichiometric (Φ = 1) mixtures of propanal (CH3CH2CHO) and oxygen (O2) in argon bath gas at temperatures of 1129 K < T < 1696 K and pressures around 1 and 6 atm. Measurements were conducted using the kinetics shock tube facility at the University of Central Florida. Current results were compared to available data in the literature as well as to the predictions of three propanal combustion kinetic models: Politecnico di Milano (POLIMI), National University of Ireland at Galway, and McGill mechanisms. In addition, a continuous wave-distributed feedback interband cascade laser centered at 3403.4 nm was used for measuring methane (CH4) and propanal time histories behind the reflected shock waves during propanal pyrolysis. Concentration time histories were obtained at temperatures between 1192 and 1388 K near 1 atm. Sensitivity analysis was carried for both ignition delay time and pyrolysis measurements to reveal the important reactions that were crucial to predicting the current experimental results. Adjustments to the POLIMI mechanism were adopted to better match the experimental data. Further research was suggested for the H abstraction reaction rates of propanal. Finally, in addition to extending the temperature and pressure region of literature ignition delay times, we provide the first high-temperature species concentration time histories during propanal pyrolysis.
Research Organization:
Univ. of Central Florida, Orlando, FL (United States)
Sponsoring Organization:
American Chemical Society of Petroleum Research; USDOE Office of Fossil Energy (FE)
Grant/Contract Number:
FE0025260
OSTI ID:
1533186
Journal Information:
International Journal of Chemical Kinetics, Journal Name: International Journal of Chemical Kinetics Journal Issue: 11 Vol. 48; ISSN 0538-8066
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

References (29)

Kinetics of OH and Cl reactions with a series of aldehydes journal January 2000
A Mass-spectrometric study of propionaldehyde oxidation in the negative temperature coefficient region journal October 1983
A new comprehensive reaction mechanism for combustion of hydrocarbon fuels journal November 1994
Molecular structure and vibrational IR spectrum of ketene. Comparison of conventional ab initio post-Hartree—Fock and density functional theory calculations journal October 1995
The infrared spectrum of methylketene journal June 2002
Estimates of the global indirect energy-use emission impacts of USA biofuel policy journal November 2012
Carbonyl compounds emitted by a diesel engine fuelled with diesel and biodiesel–diesel blends: Sampling optimization and emissions profile journal November 2008
Emission profile of 18 carbonyl compounds, CO, CO2, and NOx emitted by a diesel engine fuelled with diesel and ternary blends containing diesel, ethanol and biodiesel or vegetable oils journal June 2009
Ignition of C3 oxygenated hydrocarbons and chemical kinetic modeling of propanal oxidation journal October 2011
An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C3C5 aldehydes in shock tubes journal February 2015
Shock tube ignition delay times and methane time-histories measurements during excess CO2 diluted oxy-methane combustion journal February 2016
Effects of low concentration biodiesel blends application on modern passenger cars. Part 2: Impact on carbonyl compound emissions journal July 2010
The use of biodiesel blends on a non-road generator and its impacts on ozone formation potentials based on carbonyl emissions journal July 2013
Laminar burning velocities of three C3H6O isomers at atmospheric pressure journal October 2010
Methane and ethylene time-history measurements in n-butane and n-heptane pyrolysis behind reflected shock waves journal June 2013
Improved combustion kinetic model and HCCI engine simulations of di-isopropyl ketone ignition journal January 2016
The HITRAN2012 molecular spectroscopic database journal November 2013
Propionaldehyde infrared cross-sections and band strengths journal February 2015
High-sensitivity interference-free diagnostic for measurement of methane in shock tubes journal May 2015
Structure of a stoichiometric propanal flame at low pressure journal January 2009
Multi-species time-history measurements during high-temperature acetone and 2-butanone pyrolysis journal January 2013
Jet-stirred reactor and flame studies of propanal oxidation journal January 2013
Biodiesel emissions profile in modern diesel vehicles. Part 2: Effect of biodiesel origin on carbonyl, PAH, nitro-PAH and oxy-PAH emissions journal January 2011
Shock Tube Study on Propanal Ignition and the Comparison to Propane, n -Propanol, and i -Propanol journal January 2016
Decomposition of propanal at elevated temperatures: experimental and modeling study journal April 1990
Atmospheric Chemistry of Propionaldehyde:  Kinetics and Mechanisms of Reactions with OH Radicals and Cl Atoms, UV Spectrum, and Self-Reaction Kinetics of CH 3 CH 2 C(O)O 2 Radicals at 298 K journal December 2005
Infrared Spectra of Ketene and Deuteroketenes journal April 1957
Interference-free mid-IR laser absorption detection of methane journal January 2011
Gas-Phase Databases for Quantitative Infrared Spectroscopy journal December 2004

Cited By (2)

High-Speed Imaging and Measurements of Ignition Delay Times in Oxy-Syngas Mixtures With High CO2 Dilution in a Shock Tube journal August 2017
Acousto-optically modulated quantum cascade laser for high-temperature reacting systems thermometry journal January 2019

Similar Records

Shock tube ignition delay times and methane time-histories measurements during excess CO2 diluted oxy-methane combustion
Journal Article · Thu Dec 03 19:00:00 EST 2015 · Combustion and Flame · OSTI ID:1329522

Ignition delay times of methane and hydrogen highly diluted in carbon dioxide at high pressures up to 300 atm
Journal Article · Thu Aug 16 20:00:00 EDT 2018 · Proceedings of the Combustion Institute · OSTI ID:1922951

High pressure shock tube ignition delay time measurements during oxy-methane combustion with high levels of CO2 dilution
Journal Article · Wed Mar 29 20:00:00 EDT 2017 · Journal of Energy Resources Technology · OSTI ID:1347214