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Title: Co-optima fuels combustion: A comprehensive experimental investigation of prenol isomers

Journal Article · · Fuel
 [1];  [1];  [1];  [2];  [1];  [1];  [1];  [1];  [3];  [3];  [1]
  1. Univ. of Central Florida, Orlando, FL (United States). Center for Advanced Turbomachinery and Energy Research (CATER), Mechanical and Aerospace Engineering Dept.
  2. The Public Authority for Applied Education and Training (Kuwait). Dept. of Automotive and Marine Engineering Technology, College of Technological Studies
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Carbon monoxide time-histories, ignition delay times, and laminar burning velocity measurements are reported for the oxidation of 3-methyl-2-buten-1-ol (prenol) and 3-methyl-3-buten-1-ol (isoprenol). These prenols are fuel candidates outlined by the U.S. Department of Energy’s Co-Optimization of Fuels and Engines (Co-Optima) program. The laminar burning velocity measurements were conducted for two fuels with synthetic air within a constant-volume spherical combustion chamber at initial conditions of 428 K and 1 atm for a range of equivalence ratios from 0.75 to 1.50. The laminar burning velocities of the two fuels were found to be similar, and the maximum value occurred at an equivalence ratio near 1.0. Carbon monoxide time-histories and ignition delay times were recorded behind reflected shockwaves in a double-diaphragm, heated shock tube over the temperature range 1269–1472 K near 9.4 atm with a mixture of 0.05% fuel/0.35% O2/99.6% Ar. Comparisons with predictions of a detailed chemical kinetic mechanism from the literature were provided. Current model predictions overpredicted both the ignition delay time and the max CO yield; however, the model captured the profile of CO formation well. Detailed uncertainty and sensitivity analyses were carried out to identify important reactions that need attention for accurate prediction of these fuel’s chemistry. Further investigation into the rate of C3H3 + O2 = CH2CO + HCO reaction was suggested based on current experiments. The experimental data and analysis presented here is critical in the development, validation and improvement of kinetic models of these promising Co-Optima fuels.

Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Univ. of Central Florida, Orlando, FL (United States); The Public Authority for Applied Education and Training (Kuwait)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
AC52-07NA27344; EE0007982
OSTI ID:
1575864
Alternate ID(s):
OSTI ID: 1544897; OSTI ID: 1763380
Report Number(s):
LLNL-JRNL-788092; 986153
Journal Information:
Fuel, Vol. 254, Issue C; ISSN 0016-2361
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 21 works
Citation information provided by
Web of Science

References (35)

The effects of ethanol–unleaded gasoline blends on engine performance and exhaust emissions in a spark-ignition engine journal October 2009
Experimental study on emissions and performance of an internal combustion engine fueled with gasoline and gasoline/n-butanol blends journal December 2014
Discovery of novel octane hyperboosting phenomenon in prenol biofuel/gasoline blends journal March 2019
Metabolic engineering of Escherichia coli for high-specificity production of isoprenol and prenol as next generation of biofuels journal January 2013
Metabolic engineering for the high-yield production of isoprenoid-based C5 alcohols in E. coli journal June 2015
Understanding the reactivity of unsaturated alcohols: Experimental and kinetic modeling study of the pyrolysis and oxidation of 3-methyl-2-butenol and 3-methyl-3-butenol journal September 2016
Laminar Burning Velocities of High-Performance Fuels Relevant to the Co-Optima Initiative conference April 2019
The Effect of Diluent Gases on High-Pressure Laminar Burning Velocity Measurements of an Advanced Biofuel Ketone journal February 2018
Laminar Burning Velocity Measurements in DIPK-An Advanced Biofuel journal March 2017
Laser Ignition and Flame Speed Measurements in Oxy-Methane Mixtures Diluted With CO2 journal December 2015
Application of an Aerosol Shock Tube for the Kinetic Studies of n-Dodecane/Nano-Aluminum Slurries conference June 2012
New insights into the shock tube ignition of H2/O2 at low to moderate temperatures using high-speed end-wall imaging journal January 2018
Measurements and interpretation of shock tube ignition delay times in highly CO2 diluted mixtures using multiple diagnostics journal June 2017
Measurements of Propanal Ignition Delay Times and Species Time Histories Using Shock Tube and Laser Absorption: MEASUREMENTS OF PROPANAL IGNITION DELAY TIMES AND SPECIES TIME HISTORIES journal July 2016
An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements journal November 2018
Ignition delay times of methane and hydrogen highly diluted in carbon dioxide at high pressures up to 300 atm journal January 2019
High temperature infrared absorption cross sections of methane near 3.4 µm in Ar and CO2 mixtures journal February 2018
Fuel-rich n-heptane oxidation: A shock tube and laser absorption study journal November 2017
High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis journal March 2017
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
Propionaldehyde infrared cross-sections and band strengths journal February 2015
Infrared absorption cross sections of several organo-phosphorous chemical-weapon simulants journal January 2019
Shock Tube/Laser Absorption and Kinetic Modeling Study of Triethyl Phosphate Combustion journal March 2018
Measurements of the laminar burning velocity for mixtures of methanol and air from a constant-volume vessel using a multizone model journal October 2004
A modified analysis for the determination of the burning velocity of a gas mixture in a spherical constant volume combustion vessel journal January 1959
Laminar Burning Velocities of Stoichiometric Mixtures of Methane with Propane and Ethane Additives journal July 1988
Burning velocity measurement of fluorinated compounds by the spherical-vessel method journal May 2005
Effects of compression and stretch on the determination of laminar flame speeds using propagating spherical flames journal March 2009
Laminar flame speeds under engine-relevant conditions: Uncertainty quantification and minimization in spherically expanding flame experiments journal January 2016
Laminar burning speed measurement of premixed n-decane/air mixtures using spherically expanding flames at high temperatures and pressures journal April 2012
The HITRAN2016 molecular spectroscopic database journal December 2017
HITEMP, the high-temperature molecular spectroscopic database journal October 2010
A new shock tube study of the H+O2→OH+O reaction rate using tunable diode laser absorption of H2O near 2.5μm journal January 2011
Self-ignition of S.I. engine model fuels: A shock tube investigation at high pressure journal June 1997


Figures / Tables (22)