Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H2O laser-absorption measurements

Mathieu, Olivier; Pinzón, Laura T.; Atherley, Tatyana M.; Mulvihill, Clayton R.; Schoel, Ingmar; Petersen, Eric L.

doi:10.1016/j.combustflame.2019.07.005

Title: Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H₂O laser-absorption measurements

Abstract

The oxidation of ethanol was investigated in shock tubes by measuring ignition delay times and water time history profiles. A laser absorption technique was used in the latter case. Ignition delay times were investigated for three equivalence ratios, 0.5, 1.0, and 2.0, and for pressures ranging from 1.3 to 53 atm. The fuel concentration and the type of diluent used were also varied. The ignition delay times were in very good agreement with results from the literature for the very few overlapping conditions, and most of the experimental conditions have never been studied before. A high level of accuracy was observed for the predictions of the ignition delay times from detailed kinetics mechanisms. Inhomogeneous ignition events were observed in some specific conditions, validating the notions of thermal diffusivity and flame thickness developed in the literature for the reasons behind such inhomogeneous ignition. The water time-history profiles showed the formation of water in two stages. These profiles were also modeled using well-known detailed kinetic mechanisms from the literature. Severe discrepancies were often observed for laser-absorption measurements, and this was the case with most of the models. A numerical analysis (sensitivity and rate-of-production) was conducted using the two best-performing literature mechanisms (namely,more » AramcoMech3.0 and CRECK).« less

Authors:

Mathieu, Olivier ^[1]; Pinzón, Laura T. ^[1]; Atherley, Tatyana M. ^[1]; Mulvihill, Clayton R. ^[1]; Schoel, Ingmar ^[2]; Petersen, Eric L. ^[1]

Texas A & M Univ., College Station, TX (United States)
Louisiana State Univ., Baton Rouge, LA (United States)

Publication Date:: Wed Jul 17 00:00:00 EDT 2019

Research Org.:: Louisiana State Univ., Baton Rouge, LA (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; USDOE

OSTI Identifier:: 1799408

Alternate Identifier(s):: OSTI ID: 1543022

Grant/Contract Number:: EE0007981

Resource Type:: Accepted Manuscript

Journal Name:: Combustion and Flame

Additional Journal Information:: Journal Volume: 208; Journal ID: ISSN 0010-2180

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 42 ENGINEERING; ethanol; shock tube; ignition; H2O laser absorption

Citation Formats


                    Mathieu, Olivier, Pinzón, Laura T., Atherley, Tatyana M., Mulvihill, Clayton R., Schoel, Ingmar, and Petersen, Eric L. Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H2O laser-absorption measurements.  United States: N. p., 2019. 
Web.  doi:10.1016/j.combustflame.2019.07.005.

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                    Mathieu, Olivier, Pinzón, Laura T., Atherley, Tatyana M., Mulvihill, Clayton R., Schoel, Ingmar, & Petersen, Eric L. Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H2O laser-absorption measurements.  United States.  https://doi.org/10.1016/j.combustflame.2019.07.005

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                    Mathieu, Olivier, Pinzón, Laura T., Atherley, Tatyana M., Mulvihill, Clayton R., Schoel, Ingmar, and Petersen, Eric L. Wed .  
"Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H2O laser-absorption measurements".  United States.  https://doi.org/10.1016/j.combustflame.2019.07.005.  https://www.osti.gov/servlets/purl/1799408.

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@article{osti_1799408,

  title        = {Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H2O laser-absorption measurements},

  author       = {Mathieu, Olivier and Pinzón, Laura T. and Atherley, Tatyana M. and Mulvihill, Clayton R. and Schoel, Ingmar and Petersen, Eric L.},

  abstractNote = {The oxidation of ethanol was investigated in shock tubes by measuring ignition delay times and water time history profiles. A laser absorption technique was used in the latter case. Ignition delay times were investigated for three equivalence ratios, 0.5, 1.0, and 2.0, and for pressures ranging from 1.3 to 53 atm. The fuel concentration and the type of diluent used were also varied. The ignition delay times were in very good agreement with results from the literature for the very few overlapping conditions, and most of the experimental conditions have never been studied before. A high level of accuracy was observed for the predictions of the ignition delay times from detailed kinetics mechanisms. Inhomogeneous ignition events were observed in some specific conditions, validating the notions of thermal diffusivity and flame thickness developed in the literature for the reasons behind such inhomogeneous ignition. The water time-history profiles showed the formation of water in two stages. These profiles were also modeled using well-known detailed kinetic mechanisms from the literature. Severe discrepancies were often observed for laser-absorption measurements, and this was the case with most of the models. A numerical analysis (sensitivity and rate-of-production) was conducted using the two best-performing literature mechanisms (namely, AramcoMech3.0 and CRECK).},

  doi          = {10.1016/j.combustflame.2019.07.005},

  journal      = {Combustion and Flame},

  number       = ,

  volume       = 208,

  place        = {United States},

  year         = {Wed Jul 17 00:00:00 EDT 2019},

  month        = {Wed Jul 17 00:00:00 EDT 2019}

}

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The thermal decomposition of ethanol has been studied under pyrolytic conditions behind reflected shock waves in the 1250 to 1677 K temperature range, at an average pressure of 1.31 atm for a mixture highly diluted in Ar. A laser absorption technique was utilized to measure H₂O time-histories, and the detailed kinetics mechanism (AramcoMech2.0) was selected among various models from the literature based on its a priori agreement with the experimental data. Sensitivity and rate-of-production analyses were performed and showed that the C₂H₅OH→C₂H₄+ H₂O (R1) decomposition pathway is almost the sole reaction contributing to H₂O formation at the early times undermore »« less
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An Experimental Kinetics Study of Isopropanol Pyrolysis and Oxidation behind Reflected Shock Waves

Journal Article Cooper, Sean P. ; Grégoire, Claire M. ; Mohr, Darryl J. ; ... - Energies

Isopropanol has potential as a future bio-derived fuel and is a promising substitute for ethanol in gasoline blends. Even so, little has been done in terms of high-temperature chemical kinetic speciation studies of this molecule. To this end, experiments were conducted in a shock tube using simultaneous CO and H₂O laser absorption measurements. Water and CO formation during isopropanol pyrolysis was also examined at temperatures between 1127 and 2162 K at an average pressure of 1.42 atm. Species profiles were collected at temperatures between 1332 and 1728 K and at an average pressure of 1.26 atm for equivalence ratios ofmore »« less
https://doi.org/10.3390/en14206808
High pressure shock tube ignition delay time measurements during oxy-methane combustion with high levels of CO₂ dilution

Journal Article Pryor, Owen ; Barak, Samuel ; Lopez, Joseph ; ... - Journal of Energy Resources Technology

Ignition delay times and methane species time-histories were measured for methane/O2 mixtures in a high CO2 diluted environment using shock tube and laser absorption spectroscopy. The experiments were performed between 1300 K and 2000 K at pressures between 6 and 31 atm. The test mixtures were at an equivalence ratio of 1 with CH4 mole fractions ranging from 3.5% -5% and up to 85% CO2 with a bath of argon gas as necessary. The ignition delay times and methane time histories were measured using pressure, emission, and laser diagnostics. Predictive ability of two literature kinetic mechanisms (GRI 3.0 and ARAMCOmore »« less
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https://doi.org/10.1115/1.4036254

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Shock tube ignition delay times and methane time-histories measurements during excess CO₂ diluted oxy-methane combustion

Journal Article Koroglu, Batikan ; Pryor, Owen M. ; Lopez, Joseph ; ... - Combustion and Flame

The combustion of methane in air results in large amounts of CO₂ and NO_X emissions. In order to reduce the NO_X emissions, one possible solution is the oxy-methane combustion with large CO₂ dilution so that the combustion products can be reduced mainly to CO₂ and H₂O. However, there are very few studies on the chemical kinetics of oxy-methane combustion in a CO₂ diluted environment. In this study, methane time-histories, CH* emission profiles, and pressure time-histories measurements were conducted behind reflected shock waves to gain insight into the effects of CO₂ dilution of the gas mixtures on the ignition of methane.more »« less
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https://doi.org/10.1016/j.combustflame.2015.11.011

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Title: Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H2O laser-absorption measurements

Abstract

Citation Formats

Oxidation of ethanol and hydrocarbon mixtures in a pressurised flow reactor journal, January 2019

Rate Constants for the Thermal Decomposition of Ethanol and Its Bimolecular Reactions with OH and D: Reflected Shock Tube and Theoretical Studies journal, September 2010

Properties of Brazilian gasoline mixed with hydrated ethanol for flex-fuel technology journal, April 2007

Interpreting Endwall and Sidewall Measurements in Shock-Tube Ignition Studies journal, September 2009

Determination of ignition delay times of different hydrocarbons in a new high pressure shock tube journal, June 2010

Measurements and modeling study of intermediates in ethanol and dimethy ether low-pressure premixed flames using synchrotron photoionization journal, September 2011

An experimental investigation of iso-octane ignition phenomena journal, August 2007

Laminar burning velocities of primary reference fuels and simple alcohols journal, January 2014

PAH formation in one-dimensional premixed fuel-rich atmospheric pressure ethylbenzene and ethyl alcohol flames journal, March 2006

An experimental and modeling study of ethanol oxidation kinetics in an atmospheric pressure flow reactor journal, April 1992

An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements journal, November 2018

Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether journal, April 2018

A shock-tube study of the ignition of methanol and ethanol with oxygen journal, June 1971

Chemical-kinetic modeling of ignition delay: Considerations in interpreting shock tube data journal, March 2010

Shock tube studies of ethanol preignition journal, December 2018

High-speed imaging of the ignition of ethanol at engine relevant conditions in a rapid compression machine journal, January 2019

Explosion bomb measurements of ethanol–air laminar gaseous flame characteristics at pressures up to 1.4MPa journal, July 2009

Numerical and experimental studies of ethanol flames journal, January 2007

Chemiluminescent Emission Data For Kinetic Modeling Of Ethanol Combustion journal, December 2004

Diode laser measurements of temperature-dependent collisional-narrowing and broadening parameters of Ar-perturbed H2O transitions at 1391.7 and 1397.8nm journal, January 2008

Laminar burning velocity of gasolines with addition of ethanol journal, January 2014

Pyrolysis of ethanol: A shock-tube/TOF-MS and modeling study journal, January 2015

Laminar burning velocities of n-heptane, iso-octane, ethanol and their binary and tertiary mixtures journal, August 2011

Fuel Effects on Knock in a Highly Boosted Direct Injection Spark Ignition Engine journal, January 2012

On the Chemical Kinetics of Ethanol Oxidation: Shock Tube, Rapid Compression Machine and Detailed Modeling Study journal, January 2012

Autoignition of ethanol in a rapid compression machine journal, May 2014

Combustion Chemistry of Ethanol: Ignition and Speciation Studies in a Rapid Compression Facility journal, September 2016

Determination of the laminar burning velocities for mixtures of ethanol and air at elevated temperatures journal, February 2007

Experimental and Modeling Study of the Kinetics of Oxidation of Ethanol−Gasoline Surrogate Mixtures (E85 Surrogate) in a Jet-Stirred Reactor journal, September 2008

High-temperature pyrolysis of ethanol journal, November 1985

Shock tube ignition of ethanol, isobutene and MTBE: Experiments and modeling journal, January 1992

High-speed imaging of inhomogeneous ignition in a shock tube journal, May 2018

Combustion performance of bio-ethanol at various blend ratios in a gasoline direct injection engine journal, May 2011

Pre-ignition and ‘super-knock’ in turbo-charged spark-ignition engines journal, December 2011

Ethanol pyrolysis experiments in a variable pressure flow reactor journal, January 2001

Self-ignition of S.I. engine model fuels: A shock tube investigation at high pressure journal, June 1997

Ethanol Oxidation and Its Interaction with Nitric Oxide journal, December 2001

Measurement and Chemical Kinetics Modeling of Shock-Induced Ignition of Ethanol−Air Mixtures journal, May 2010

Thermal decomposition of ethanol. I. Ab Initio molecular orbital/Rice–Ramsperger–Kassel–Marcus prediction of rate constant and product branching ratios journal, August 2002

Laminar burning speeds of ethanol/air/diluent mixtures journal, January 2011

Experimental and Numerical Studies of Ethanol Decomposition Reactions journal, September 2004

Kinetic modeling of gasoline surrogate components and mixtures under engine conditions journal, January 2011

Alcohol combustion chemistry journal, October 2014

A facility for gas- and condensed-phase measurements behind shock waves journal, July 2005

Single-Pulse Shock Tube Study of the Decomposition of Tetraethoxysilane and Related Compounds journal, July 1997

Ethanol pyrolysis kinetics using H2O time history measurements behind reflected shock waves journal, January 2019

Ethanol flame structure investigated by molecular beam mass spectrometry journal, August 2007

A high pressure ignition delay time study of 2-methylfuran and tetrahydrofuran in shock tubes journal, October 2014

New insights into the shock tube ignition of H2/O2 at low to moderate temperatures using high-speed end-wall imaging journal, January 2018

The flow reactor oxidation of C1−C4 alcohols and MTBE journal, January 1991

Energy transfer effects during the multichannel decomposition of ethanol journal, January 2004

A multipurpose reduced mechanism for ethanol combustion journal, July 2018

Ignition delay time and H2O measurements during methanol oxidation behind reflected shock waves journal, May 2019

Progress and recent trends in biofuels journal, February 2007

Ignition delay times, laminar flame speeds, and species time-histories in the H2S/CH4 system at atmospheric pressure journal, January 2019

A comparative experimental and computational study of methanol, ethanol, and n-butanol flames journal, October 2010

High-speed OH* chemiluminescence imaging of ignition through a shock tube end-wall journal, March 2016

Numerical and experimental study of ethanol combustion and oxidation in laminar premixed flames and in jet-stirred reactor journal, April 2011

Shock-tube water time-histories and ignition delay time measurements for H2S near atmospheric pressure journal, January 2017

Comparative High Temperature Shock Tube Ignition of C1−C4 Primary Alcohols journal, November 2010

The HITRAN 2004 molecular spectroscopic database journal, December 2005

Experimental study of the kinetics of ethanol pyrolysis and oxidation behind reflected shock waves and in laminar flames journal, January 2015

Experimental and Modeling Study of Premixed Laminar Flames of Ethanol and Methane journal, February 2013

Experimental investigation of the laminar burning velocities of methanol, ethanol, n-propanol, and n-butanol at high pressure journal, January 2014

Shock Tube Study on the Thermal Decomposition of Ethanol journal, July 2011

Experimental and numerical low-temperature oxidation study of ethanol and dimethyl ether journal, February 2014

Kinetic modeling of ethanol pyrolysis and combustion journal, January 1992

Decomposition of Chemically Activated Ethanol journal, October 1994

An ignition delay time and chemical kinetic modeling study of the pentane isomers journal, January 2016

Interpreting shock tube ignition data journal, January 2004

Comparison of Different Gasoline Alternative Fuels in Terms of Laminar Burning Velocity at Increased Gas Temperatures and Exhaust Gas Recirculation Rates journal, February 2014

Shock Tube Ignition Delay Data Affected by Localized Ignition Phenomena journal, December 2016

Recent trends in global production and utilization of bio-ethanol fuel journal, November 2009

Laminar burning velocities of methanol, ethanol and isooctane-air mixtures journal, January 1982

The temperature dependence of the laminar burning velocity of ethanol flames journal, January 2011

Study on pressure dependences of ethanol oxidation by separated weak flames in a micro flow reactor with a controlled temperature profile journal, January 2013

Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels journal, August 2012

Title: Experimental study of ethanol oxidation behind reflected shock waves: Ignition delay time and H₂O laser-absorption measurements

Oxidation of ethanol and hydrocarbon mixtures in a pressurised flow reactor
journal, January 2019

Rate Constants for the Thermal Decomposition of Ethanol and Its Bimolecular Reactions with OH and D: Reflected Shock Tube and Theoretical Studies
journal, September 2010

Properties of Brazilian gasoline mixed with hydrated ethanol for flex-fuel technology
journal, April 2007

Interpreting Endwall and Sidewall Measurements in Shock-Tube Ignition Studies
journal, September 2009

Determination of ignition delay times of different hydrocarbons in a new high pressure shock tube
journal, June 2010

Measurements and modeling study of intermediates in ethanol and dimethy ether low-pressure premixed flames using synchrotron photoionization
journal, September 2011

An experimental investigation of iso-octane ignition phenomena
journal, August 2007

Laminar burning velocities of primary reference fuels and simple alcohols
journal, January 2014

PAH formation in one-dimensional premixed fuel-rich atmospheric pressure ethylbenzene and ethyl alcohol flames
journal, March 2006

An experimental and modeling study of ethanol oxidation kinetics in an atmospheric pressure flow reactor
journal, April 1992

An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements
journal, November 2018

Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether
journal, April 2018

A shock-tube study of the ignition of methanol and ethanol with oxygen
journal, June 1971

Chemical-kinetic modeling of ignition delay: Considerations in interpreting shock tube data
journal, March 2010

Shock tube studies of ethanol preignition
journal, December 2018

High-speed imaging of the ignition of ethanol at engine relevant conditions in a rapid compression machine
journal, January 2019

Explosion bomb measurements of ethanol–air laminar gaseous flame characteristics at pressures up to 1.4MPa
journal, July 2009

Numerical and experimental studies of ethanol flames
journal, January 2007

Chemiluminescent Emission Data For Kinetic Modeling Of Ethanol Combustion
journal, December 2004

Diode laser measurements of temperature-dependent collisional-narrowing and broadening parameters of Ar-perturbed H2O transitions at 1391.7 and 1397.8nm
journal, January 2008

Laminar burning velocity of gasolines with addition of ethanol
journal, January 2014

Pyrolysis of ethanol: A shock-tube/TOF-MS and modeling study
journal, January 2015

Laminar burning velocities of n-heptane, iso-octane, ethanol and their binary and tertiary mixtures
journal, August 2011

Fuel Effects on Knock in a Highly Boosted Direct Injection Spark Ignition Engine
journal, January 2012

On the Chemical Kinetics of Ethanol Oxidation: Shock Tube, Rapid Compression Machine and Detailed Modeling Study
journal, January 2012

Autoignition of ethanol in a rapid compression machine
journal, May 2014

Combustion Chemistry of Ethanol: Ignition and Speciation Studies in a Rapid Compression Facility
journal, September 2016

Determination of the laminar burning velocities for mixtures of ethanol and air at elevated temperatures
journal, February 2007

Experimental and Modeling Study of the Kinetics of Oxidation of Ethanol−Gasoline Surrogate Mixtures (E85 Surrogate) in a Jet-Stirred Reactor
journal, September 2008

High-temperature pyrolysis of ethanol
journal, November 1985

Shock tube ignition of ethanol, isobutene and MTBE: Experiments and modeling
journal, January 1992

High-speed imaging of inhomogeneous ignition in a shock tube
journal, May 2018

Combustion performance of bio-ethanol at various blend ratios in a gasoline direct injection engine
journal, May 2011

Pre-ignition and ‘super-knock’ in turbo-charged spark-ignition engines
journal, December 2011

Ethanol pyrolysis experiments in a variable pressure flow reactor
journal, January 2001

Self-ignition of S.I. engine model fuels: A shock tube investigation at high pressure
journal, June 1997

Ethanol Oxidation and Its Interaction with Nitric Oxide
journal, December 2001

Measurement and Chemical Kinetics Modeling of Shock-Induced Ignition of Ethanol−Air Mixtures
journal, May 2010

Thermal decomposition of ethanol. I. Ab Initio molecular orbital/Rice–Ramsperger–Kassel–Marcus prediction of rate constant and product branching ratios
journal, August 2002

Laminar burning speeds of ethanol/air/diluent mixtures
journal, January 2011

Experimental and Numerical Studies of Ethanol Decomposition Reactions
journal, September 2004

Kinetic modeling of gasoline surrogate components and mixtures under engine conditions
journal, January 2011

Alcohol combustion chemistry
journal, October 2014

A facility for gas- and condensed-phase measurements behind shock waves
journal, July 2005

Single-Pulse Shock Tube Study of the Decomposition of Tetraethoxysilane and Related Compounds
journal, July 1997

Ethanol pyrolysis kinetics using H2O time history measurements behind reflected shock waves
journal, January 2019

Ethanol flame structure investigated by molecular beam mass spectrometry
journal, August 2007

A high pressure ignition delay time study of 2-methylfuran and tetrahydrofuran in shock tubes
journal, October 2014

New insights into the shock tube ignition of H2/O2 at low to moderate temperatures using high-speed end-wall imaging
journal, January 2018

The flow reactor oxidation of C1−C4 alcohols and MTBE
journal, January 1991

Energy transfer effects during the multichannel decomposition of ethanol
journal, January 2004

A multipurpose reduced mechanism for ethanol combustion
journal, July 2018

Ignition delay time and H2O measurements during methanol oxidation behind reflected shock waves
journal, May 2019

Progress and recent trends in biofuels
journal, February 2007

Ignition delay times, laminar flame speeds, and species time-histories in the H2S/CH4 system at atmospheric pressure
journal, January 2019

A comparative experimental and computational study of methanol, ethanol, and n-butanol flames
journal, October 2010

High-speed OH* chemiluminescence imaging of ignition through a shock tube end-wall
journal, March 2016

Numerical and experimental study of ethanol combustion and oxidation in laminar premixed flames and in jet-stirred reactor
journal, April 2011

Shock-tube water time-histories and ignition delay time measurements for H2S near atmospheric pressure
journal, January 2017

Comparative High Temperature Shock Tube Ignition of C1−C4 Primary Alcohols
journal, November 2010

The HITRAN 2004 molecular spectroscopic database
journal, December 2005

Experimental study of the kinetics of ethanol pyrolysis and oxidation behind reflected shock waves and in laminar flames
journal, January 2015

Experimental and Modeling Study of Premixed Laminar Flames of Ethanol and Methane
journal, February 2013

Experimental investigation of the laminar burning velocities of methanol, ethanol, n-propanol, and n-butanol at high pressure
journal, January 2014

Shock Tube Study on the Thermal Decomposition of Ethanol
journal, July 2011

Experimental and numerical low-temperature oxidation study of ethanol and dimethyl ether
journal, February 2014

Kinetic modeling of ethanol pyrolysis and combustion
journal, January 1992

Decomposition of Chemically Activated Ethanol
journal, October 1994

An ignition delay time and chemical kinetic modeling study of the pentane isomers
journal, January 2016

Interpreting shock tube ignition data
journal, January 2004

Comparison of Different Gasoline Alternative Fuels in Terms of Laminar Burning Velocity at Increased Gas Temperatures and Exhaust Gas Recirculation Rates
journal, February 2014

Shock Tube Ignition Delay Data Affected by Localized Ignition Phenomena
journal, December 2016

Recent trends in global production and utilization of bio-ethanol fuel
journal, November 2009

Laminar burning velocities of methanol, ethanol and isooctane-air mixtures
journal, January 1982

The temperature dependence of the laminar burning velocity of ethanol flames
journal, January 2011

Study on pressure dependences of ethanol oxidation by separated weak flames in a micro flow reactor with a controlled temperature profile
journal, January 2013

Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels
journal, August 2012