Shock Tube and Flame Speed Measurements of 2,4,4-Trimethyl-1-Pentene: A Co-Optima Biofuel

Laich, Andrew R.; Kim, Gihun; Ninnemann, Erik; Almansour, Bader; Vasu, Subith

doi:10.1115/1.4054403

Shock Tube and Flame Speed Measurements of 2,4,4-Trimethyl-1-Pentene: A Co-Optima Biofuel

Journal Article · Fri May 13 00:00:00 EDT 2022 · Journal of Energy Resources Technology

DOI:https://doi.org/10.1115/1.4054403· OSTI ID:2418588

Laich, Andrew R. ^[1]; Kim, Gihun; Ninnemann, Erik; Almansour, Bader; Vasu, Subith

OSTI

Abstract

The combustion of 2,4,4-trimethyl-1-pentene (diisobutylene, C8H16), which is a biofuel and a component of surrogate fuels, is examined in this work. Carbon monoxide time–histories and ignition delay times are collected behind reflected shock waves utilizing a shock tube and mid-infrared laser absorption spectroscopy. Measurements were obtained near 10 atm pressure during stoichiometric oxidation of 0.15%C8H16/O2/Ar. Simulated results from chemical kinetic models are provided, and sensitivity analyses are used to discuss differences between models for both ignition delay times and carbon monoxide formation. In addition, laminar burning speeds are obtained at 1 atm, 428 K, and equivalence ratios, phi, between 0.91 and 1.52 inside a spherical chamber facility. Measured burning speeds are found to be less than that of ethanol over the equivalence ratio span. Burning speed measurements are compared to predictions of chemical kinetic mechanisms and are in agreement for the richest conditions; however, at lean conditions, the model predicts a far slower-burning speed. The maximum burning speed occurs at an equivalence ratio of 1.08 with a magnitude of 0.70 m/s. The current work provides the crucial experimental data needed for assessing the feasibility of this biofuel and for the development of future combustion chemical kinetics models.

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Univ. of Central Florida, Orlando, FL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

DOE Contract Number:: EE0007982; EE0007984

OSTI ID:: 2418588

Journal Information:: Journal of Energy Resources Technology, Journal Name: Journal of Energy Resources Technology Journal Issue: 11 Vol. 144; ISSN 0195-0738

Publisher:: ASME

Country of Publication:: United States

Language:: English

References (49)

High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis Barari, Ghazal; Pryor, Owen; Koroglu, Batikan Combustion and Flame, Vol. 177 https://doi.org/10.1016/j.combustflame.2016.12.003	journal	March 2017
Auto-Ignition Characteristics Study of Gas-to-Liquid Fuel at High Pressures and Low Temperatures Askari, Omid; Elia, Mimmo; Ferrari, Matthew Journal of Energy Resources Technology, Vol. 139, Issue 1 https://doi.org/10.1115/1.4033983	journal	July 2016
Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates Battin-Leclerc, F. Progress in Energy and Combustion Science, Vol. 34, Issue 4 https://doi.org/10.1016/j.pecs.2007.10.002	journal	August 2008
Measuring the effectiveness of high-performance Co-Optima biofuels on suppressing soot formation at high temperature Barak, Samuel; Rahman, Ramees K.; Neupane, Sneha Proceedings of the National Academy of Sciences, Vol. 117, Issue 7 https://doi.org/10.1073/pnas.1920223117	journal	February 2020
Reactions of OH with Butene Isomers: Measurements of the Overall Rates and a Theoretical Study Vasu, Subith S.; Huynh, Lam K.; Davidson, David F. The Journal of Physical Chemistry A, Vol. 115, Issue 12 https://doi.org/10.1021/jp112294h	journal	March 2011
A kinetic investigation on the synergistic low-temperature reactivity, antagonistic RON blending of high-octane fuels: Diisobutylene and cyclopentane Song, Hwasup; Dauphin, Roland; Vanhove, Guillaume Combustion and Flame, Vol. 220 https://doi.org/10.1016/j.combustflame.2020.06.030	journal	October 2020
A chemical mechanism for ignition and oxidation of multi-component gasoline surrogate fuels Zhong, Bei-Jing; Zheng, Dong Fuel, Vol. 128 https://doi.org/10.1016/j.fuel.2014.03.044	journal	July 2014
Probing the Effects of NOx and SOx Impurities on Oxy-Fuel Combustion in Supercritical CO2: Shock Tube Experiments and Chemical Kinetic Modeling Rahman, Ramees K.; Barak, Samuel; (Raghu) Manikantachari, K. R. V. Journal of Energy Resources Technology, Vol. 142, Issue 12 https://doi.org/10.1115/1.4047314	journal	June 2020
Reduced Chemical Kinetic Mechanisms for Oxy/Methane Supercritical CO2 Combustor Simulations Manikantachari, K. R. V.; Vesely, Ladislav; Martin, Scott Journal of Energy Resources Technology, Vol. 140, Issue 9 https://doi.org/10.1115/1.4039746	journal	April 2018
Effects of compression and stretch on the determination of laminar flame speeds using propagating spherical flames Chen, Z.; Burke, M. P.; Ju, Y. Combustion Theory and Modelling, Vol. 13, Issue 2 https://doi.org/10.1080/13647830802632192	journal	March 2009
Optimization of Supercritical CO2 Brayton Cycle for Simple Cycle Gas Turbines Exhaust Heat Recovery Using Genetic Algorithm Khadse, Akshay; Blanchette, Lauren; Kapat, Jayanta Journal of Energy Resources Technology, Vol. 140, Issue 7 https://doi.org/10.1115/1.4039446	journal	March 2018
Improved combustion kinetic model and HCCI engine simulations of di-isopropyl ketone ignition Barari, Ghazal; Sarathy, S. Mani; Vasu, Subith S. Fuel, Vol. 164 https://doi.org/10.1016/j.fuel.2015.09.063	journal	January 2016
Clean combustion: Chemistry and diagnostics for a systems approach in transportation and energy conversion Kohse-Höinghaus, Katharina Progress in Energy and Combustion Science, Vol. 65 https://doi.org/10.1016/j.pecs.2017.10.001	journal	March 2018
A modified analysis for the determination of the burning velocity of a gas mixture in a spherical constant volume combustion vessel O'Donovan, K. H.; Rallis, C. J. Combustion and Flame, Vol. 3 https://doi.org/10.1016/0010-2180(59)90022-7	journal	January 1959
Combustion Physics Law, Chung K. Cambridge University Press https://doi.org/10.1017/CBO9780511754517	book	January 2006
Burning velocity measurement of fluorinated compounds by the spherical-vessel method Takizawa, K.; Takahashi, A.; Tokuhashi, K. Combustion and Flame, Vol. 141, Issue 3 https://doi.org/10.1016/j.combustflame.2005.01.009	journal	May 2005
High Pressure Shock Tube Ignition Delay Time Measurements During Oxy-Methane Combustion With High Levels of CO2 Dilution Pryor, Owen; Barak, Samuel; Lopez, Joseph Journal of Energy Resources Technology, Vol. 139, Issue 4 https://doi.org/10.1115/1.4036254	journal	March 2017
Homogeneous charge compression ignition of binary fuel blends Mittal, Gaurav; Sung, Chih-Jen Combustion and Flame, Vol. 155, Issue 3 https://doi.org/10.1016/j.combustflame.2008.05.003	journal	November 2008
Laminar flame speeds under engine-relevant conditions: Uncertainty quantification and minimization in spherically expanding flame experiments Xiouris, Christodoulos; Ye, Tailai; Jayachandran, Jagannath Combustion and Flame, Vol. 163 https://doi.org/10.1016/j.combustflame.2015.10.003	journal	January 2016
Ignition delay times of ethanol-containing multi-component gasoline surrogates: Shock-tube experiments and detailed modeling Cancino, L. R.; Fikri, M.; Oliveira, A. A. M. Fuel, Vol. 90, Issue 3 https://doi.org/10.1016/j.fuel.2010.11.003	journal	March 2011
Laser Ignition and Flame Speed Measurements in Oxy-Methane Mixtures Diluted With CO2 Almansour, Bader; Thompson, Luke; Lopez, Joseph Journal of Energy Resources Technology, Vol. 138, Issue 3 https://doi.org/10.1115/1.4031967	journal	December 2015
The Effect of Diluent Gases on High-Pressure Laminar Burning Velocity Measurements of an Advanced Biofuel Ketone Almansour, Bader; Kim, Gihun; Vasu, Subith SAE International Journal of Fuels and Lubricants, Vol. 11, Issue 4 https://doi.org/10.4271/2018-01-0921	journal	February 2018
Development of a detailed kinetic model for gasoline surrogate fuels Andrae, J. C. G. Fuel, Vol. 87, Issue 10-11 https://doi.org/10.1016/j.fuel.2007.09.010	journal	August 2008
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone Zhang, Kuiwen; Lokachari, Nitin; Ninnemann, Erik Proceedings of the Combustion Institute, Vol. 37, Issue 1 https://doi.org/10.1016/j.proci.2018.06.097	journal	January 2019
What fuel properties enable higher thermal efficiency in spark-ignited engines? Szybist, James P.; Busch, Stephen; McCormick, Robert L. Progress in Energy and Combustion Science, Vol. 82 https://doi.org/10.1016/j.pecs.2020.100876	journal	January 2021
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 Koroglu, Batikan; Vasu, Subith S. International Journal of Chemical Kinetics, Vol. 48, Issue 11 https://doi.org/10.1002/kin.21024	journal	July 2016
Shock tube investigation of high-temperature, extremely-rich oxidation of several co-optima biofuels for spark-ignition engines Rahman, Ramees K.; Barak, Samuel; Wagnon, Scott W. Combustion and Flame, Vol. 236 https://doi.org/10.1016/j.combustflame.2021.111794	journal	February 2022
Autoignition of gasoline surrogates mixtures at intermediate temperatures and high pressures Fikri, M.; Herzler, J.; Starke, R. Combustion and Flame, Vol. 152, Issue 1-2 https://doi.org/10.1016/j.combustflame.2007.07.010	journal	January 2008
Shock Tube/Laser Absorption Measurements of the Reaction Rates of OH with Ethylene and Propene Vasu, Subith S.; Hong, Zekai; Davidson, David F. The Journal of Physical Chemistry A, Vol. 114, Issue 43 https://doi.org/10.1021/jp106049s	journal	November 2010
Effect of Impurities on Compressor and Cooler in Supercritical CO2 Cycles Vesely, Ladislav; Manikantachari, K. R. V.; Vasu, Subith Journal of Energy Resources Technology, Vol. 141, Issue 1 https://doi.org/10.1115/1.4040581	journal	August 2018
Oxidation and pyrolysis of methyl propyl ether Johnson, Matthew S.; Nimlos, Mark R.; Ninnemann, Erik International Journal of Chemical Kinetics, Vol. 53, Issue 8 https://doi.org/10.1002/kin.21489	journal	May 2021
Experimental study on laminar flame speeds and chemical kinetic model of 2,4,4-trimethyl-1-pentene Zheng, Dong; Zhong, Bei-Jing; Xiong, Peng-Fei Fuel, Vol. 229 https://doi.org/10.1016/j.fuel.2018.05.011	journal	October 2018
Ignition delay of diisobutylene-containing multicomponent gasoline surrogates: Shock tube measurements and modeling study Li, Hua; Qiu, Yue; Wu, Zhiyong Fuel, Vol. 235 https://doi.org/10.1016/j.fuel.2018.08.132	journal	January 2019
Measurements of the laminar burning velocity for mixtures of methanol and air from a constant-volume vessel using a multizone model Saeed, Khizer; Stone, C. R. Combustion and Flame, Vol. 139, Issue 1-2 https://doi.org/10.1016/j.combustflame.2004.08.008	journal	October 2004
Low-temperature oxidation chemistry of 2,4,4-trimethyl-1-pentene (diisobutylene) triggered by dimethyl ether (DME): A jet-stirred reactor oxidation and kinetic modeling investigation Zhang, Xiaoyuan; Cao, Chuangchuang; Zou, Jiabiao Combustion and Flame, Vol. 234 https://doi.org/10.1016/j.combustflame.2021.111629	journal	December 2021
Laminar Burning Velocities of Stoichiometric Mixtures of Methane with Propane and Ethane Additives Hill, P. G.; Hung, J. Combustion Science and Technology, Vol. 60, Issue 1-3 https://doi.org/10.1080/00102208808923973	journal	July 1988
Laminar Burning Velocity Measurements in DIPK-An Advanced Biofuel Almansour, Bader; Alawadhi, Sami; Vasu, Subith SAE International Journal of Fuels and Lubricants, Vol. 10, Issue 2 https://doi.org/10.4271/2017-01-0863	journal	March 2017
The development of a detailed chemical kinetic mechanism for diisobutylene and comparison to shock tube ignition times Metcalfe, Wayne K.; Pitz, William J.; Curran, Henry J. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.207	journal	January 2007
Co-optima fuels combustion: A comprehensive experimental investigation of prenol isomers Ninnemann, Erik; Kim, Gihun; Laich, Andrew Fuel, Vol. 254 https://doi.org/10.1016/j.fuel.2019.115630	journal	October 2019
Ignition delay times of methane and hydrogen highly diluted in carbon dioxide at high pressures up to 300 atm Shao, Jiankun; Choudhary, Rishav; Davidson, David F. Proceedings of the Combustion Institute, Vol. 37, Issue 4 https://doi.org/10.1016/j.proci.2018.08.002	journal	January 2019
Experimental and kinetic modeling study on 2,4,4-trimethyl-1-pentene ignition behind reflected shock waves Hu, Erjiang; Yin, Geyuan; Gao, Zhenhua Fuel, Vol. 195 https://doi.org/10.1016/j.fuel.2017.01.055	journal	May 2017
Comprehensive experimental and kinetic study of 2,4,4-trimethyl-1-pentene oxidation Yin, Geyuan; Gao, Zhenhua; Hu, Erjiang Combustion and Flame, Vol. 208 https://doi.org/10.1016/j.combustflame.2019.07.008	journal	October 2019
Advances and challenges in laminar flame experiments and implications for combustion chemistry Egolfopoulos, F. N.; Hansen, N.; Ju, Y. Progress in Energy and Combustion Science, Vol. 43 https://doi.org/10.1016/j.pecs.2014.04.004	journal	August 2014
High-Speed Imaging and Measurements of Ignition Delay Times in Oxy-Syngas Mixtures With High CO2 Dilution in a Shock Tube Barak, Samuel; Pryor, Owen; Lopez, Joseph Journal of Engineering for Gas Turbines and Power, Vol. 139, Issue 12 https://doi.org/10.1115/1.4037458	journal	August 2017
Effects of High Fuel Loading and CO2 Dilution on Oxy-Methane Ignition Inside a Shock Tube at High Pressure Laich, Andrew R.; Baker, Jessica; Ninnemann, Erik Journal of Energy Resources Technology, Vol. 142, Issue 10 https://doi.org/10.1115/1.4047023	journal	May 2020
The Critical Pressure at the Onset of Flame Instability of Syngas/Air/Diluent Outwardly Expanding Flame at Different Initial Temperatures and Pressures Wang, Ziyu; Bai, Ziwei; Yu, Guangying Journal of Energy Resources Technology, Vol. 141, Issue 8 https://doi.org/10.1115/1.4042720	journal	February 2019
Selection Criteria and Screening of Potential Biomass-Derived Streams as Fuel Blendstocks for Advanced Spark-Ignition Engines McCormick, Robert L.; Fioroni, Gina; Fouts, Lisa SAE International Journal of Fuels and Lubricants, Vol. 10, Issue 2 https://doi.org/10.4271/2017-01-0868	journal	March 2017
Experimental Study of Laminar Burning Speed for Premixed Biomass/Air Flame Bai, Ziwei; Wang, Ziyu; Yu, Guangying Journal of Energy Resources Technology, Vol. 141, Issue 2 https://doi.org/10.1115/1.4041412	journal	September 2018
Laminar Burning Velocities of High-Performance Fuels Relevant to the Co-Optima Initiative Kim, Gihun; Almansour, Bader; Park, Suhyeon WCX SAE World Congress Experience, SAE Technical Paper Series https://doi.org/10.4271/2019-01-0571	conference	April 2019

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