Match!

A comprehensive experimental and modeling study of isobutene oxidation

Published on May 1, 2016in Combustion and Flame4.12
· DOI :10.1016/j.combustflame.2016.01.021
Chong-Wen Zhou15
Estimated H-index: 15
(National University of Ireland, Galway),
Yang Li6
Estimated H-index: 6
(National University of Ireland, Galway)
+ 21 AuthorsHenry J. Curran62
Estimated H-index: 62
(National University of Ireland, Galway)
Sources
Abstract
The work at NUI Galway was supported by Saudi Aramco under the FUELCOM program. Collaboration between NUI Galway and LRGP enters in the frame the COST Action CM1404.
  • References (64)
  • Citations (97)
📖 Papers frequently viewed together
462 Citations
115 Citations
2017
5 Authors (Yang Li, ..., Henry J. Curran)
90 Citations
78% of Scinapse members use related papers. After signing in, all features are FREE.
References64
Newest
#1Yang Li (National University of Ireland, Galway)H-Index: 6
#2Chong-Wen Zhou (National University of Ireland, Galway)H-Index: 15
Last. Henry J. Curran (National University of Ireland, Galway)H-Index: 62
view all 5 authors...
The authors thank the entire group members at Combustion Chemistry Centre for helpful discussions. This work at NUI Galway was supported by Saudi Aramco under the FUELCOM program.
90 CitationsSource
#1Sinéad M. Burke (National University of Ireland, Galway)H-Index: 9
#2Ultan Burke (National University of Ireland, Galway)H-Index: 10
Last. Henry J. Curran (National University of Ireland, Galway)H-Index: 62
view all 30 authors...
Experimental data obtained in this study (Part II) complement the speciation data presented in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental ignition delay time (IDT) and laminar flame speed (LFS) observables. To improve our understanding of the ignition characteristics of propene, a series of IDT experiments were performed in six different shock tubes and two rapid compression machines (RCMs) under conditions not previously studied. This work is t...
115 CitationsSource
#2Hervé Le GallH-Index: 4
view all 5 authors...
A new adiabatic burner allowing the measurement of burning velocities at high pressure with the heat flux method has been developed. Experimental measurements of laminar burning velocities of methane and n-pentane were performed for pressures up to 6 atm at 298 K and at atmospheric pressure for temperatures from 298 to 398 K. Equivalence ratios varied from 0.6 to 1.9. The results for methane flames are in good agreement with the only results of literature obtained above atmospheric pressure usin...
19 CitationsSource
A review of literature on enthalpies of formation and molar entropies for alkanes, alkenes, alcohols, hydroperoxides, and their associated radicals has been compiled and critically evaluated. By comparing literature values, the overall uncertainty in thermochemical properties of small hydrocarbons and oxygenated hydrocarbons can be highlighted. In general, there is good agreement between heat of formation values in the literature for stable species; however, there is greater uncertainty in the v...
41 CitationsSource
#1Peng Zhao (Princeton University)H-Index: 12
#2Wenhao Yuan (USTC: University of Science and Technology of China)H-Index: 14
Last. Chung King Law (Princeton University)H-Index: 81
view all 7 authors...
Abstract Laminar flame speeds and ignition temperatures of nonpremixed counterflow were measured experimentally for the butene isomers at normal and elevated pressures. Results show that the flame speed increases in the order of isobutene, trans-2-butene, and 1-butene. Furthermore, isobutene has the highest ignition temperature, while those of trans-2-butene and cis-2-butene are quite similar to each other and are slightly higher than that of 1-butene. These results indicate that the reactivitie...
27 CitationsSource
#1Fujia Wu (Princeton University)H-Index: 13
#2Wenkai Liang (Princeton University)H-Index: 8
Last. Chung King Law (Princeton University)H-Index: 81
view all 5 authors...
Abstract The present work investigated the uncertainties associated with the extrapolation of stretched flames to zero stretch in flame speed measurements using expanding spherical flames. Direct numerical simulations of time evolution of expanding spherical flames from a small ignition kernel to a propagating front with sufficiently large radius provide the relations between stretched flame speed and stretch rate that can be used to assess the uncertainty of extrapolation models. It is found th...
70 CitationsSource
#1Jorge MendesH-Index: 5
#2Chong-Wen ZhouH-Index: 15
Last. Henry J. CurranH-Index: 62
view all 3 authors...
We have performed a systematic, theoretical chemical kinetic investigation of H atom abstraction by Ḣ atoms and ȮH, HȮ2, and ĊH3 radicals from aldehydes (methanal, ethanal, propanal, and isobutanal) and acids (methanoic acid, ethanoic acid, propanoic acid, and isobutanoic acid). The geometry optimizations and frequencies of all of the species in the reaction mechanisms of the title reactions were calculated using the MP2 method and the 6-311G(d,p) basis set. The one-dimensional hindered rotor tr...
26 CitationsSource
#1Sinéad M. Burke (National University of Ireland, Galway)H-Index: 9
#2Wayne K. Metcalfe (National University of Ireland, Galway)H-Index: 27
Last. Henry J. Curran (National University of Ireland, Galway)H-Index: 62
view all 8 authors...
Abstract Propene is a significant component of Liquefied Petroleum Gas (LPG) and an intermediate in the combustion of higher order hydrocarbons. To better understand the combustion characteristics of propene, this study and its companion paper present new experimental data from jet-stirred (JSR) and flow reactors (Part I) and ignition delay time and flame speed experiments (Part II). Species profiles from JSR experiments are presented and were obtained at near-atmospheric pressure over a tempera...
112 CitationsSource
#1Frederick L. Dryer (Princeton University)H-Index: 68
#2Francis M. Haas (Princeton University)H-Index: 15
Last. Marcos Chaos (FM Global)H-Index: 22
view all 5 authors...
Abstract The present discourse is directed toward the community that wishes to generate or use flow reactor data from complex chemical reactions as kinetic model development and validation targets. Various methods for comparing experimental data and computational predictions are in evidence in the literature, along with limited insights into uncertainties associated with each approach. Plug flow is most often assumed in such works as a simple, chemically insightful physical reactor model; howeve...
43 CitationsSource
#1Jeffrey Santner (Princeton University)H-Index: 13
#2Francis M. Haas (Princeton University)H-Index: 15
Last. Frederick L. Dryer (Princeton University)H-Index: 68
view all 4 authors...
Abstract It has been suggested that radiation heat loss may be a large source of experimental uncertainty in flame speed measurements using the outwardly propagating spherical flame method. Thermal radiation is usually not considered in interpretation of these experiments, yet it may contribute significantly to uncertainty especially for model-constraining conditions at low flame temperature and high pressure. In the present work, a conservative analytical estimate of the effects of radiation he...
45 CitationsSource
Cited By97
Newest
#1Hongyan WangH-Index: 2
#2Bofeng ZhangH-Index: 3
Last. Guozhu LiuH-Index: 25
view all 7 authors...
Abstract A wide pressure range pyrolysis experiment of 2-ethylnorbornane (EthNB), a potential high energy-density fuel, was conducted in a micro-reactor at 773–1098 K, 0.1–3.0 MPa and 2.1–10.3 s to explore its high-pressure pyrolysis mechanism. Altogether 30 pyrolysis products are detected and quantified using online GC–MS/FID, which major products are ethylene, methane, 1,3-cyclopentadiene and benzene in descending order of importance. The first-order kinetic analysis shows that no isomerizatio...
Source
#1Shrabanti Roy (MSU: Mississippi State University)H-Index: 2
#2Omid Askari (MSU: Mississippi State University)H-Index: 11
Source
#1René BüttgenH-Index: 2
#2Miao Tian (TU/e: Eindhoven University of Technology)H-Index: 5
Last. Karl Alexander HeuferH-Index: 6
view all 6 authors...
Abstract In this study, fundamental ignition delay time (IDT) experiments of anisole covering several compressed pressures ( p c = 1 , 2 , 4 M P a ) for stoichiometric ( ϕ = 1.0 ) , lean ( ϕ = 0.5 ) , and rich ( ϕ = 2.0 ) compositions at undiluted, fuel-in-air conditions to reflect application-relevant conditions, were investigated for the first time in the RCM. In addition, to increase the examinable range of temperatures and of IDTs, fundamental experiments in the shock tube (ST) covering the ...
Source
#1Seunghyeon Lee (Yonsei University)H-Index: 3
#2Soonho Song (Yonsei University)H-Index: 14
Abstract Hydrogen effects on the ignition delay of n-butane were investigated through a rapid compression machine (RCM) experiment and numerical analysis. The experiment was done by varying compression pressures (20 and 25 bar), equivalence ratios (0.5, 1.0, and 1.5), compression temperatures (722–987 K), and molar ratios of hydrogen in the fuel mixture (0, 25, 50, and 75%). Heat transfer model was developed based on adiabatic core assumption with volume expansion, and NUIG Aramco 2.0 mechanism ...
Source
#1Hee J. Kim (Pukyong National University)H-Index: 1
#2Kyuho Van (Pukyong National University)
Last. Suk H. Chung (KAUST: King Abdullah University of Science and Technology)H-Index: 2
view all 6 authors...
Abstract An experimental study on laminar flame speed, Markstein length, and the onset of cellular instability was conducted by varying the equivalence ratio and ethylene/methane mixing ratio in spherically propagating premixed flames at ambient temperature and elevated pressures up to 0.8 MPa. Unstretched laminar burning velocities were first validated for methane − air flames by optimizing the range of the flame radius in testing linear and non-linear extrapolation models, and subsequently com...
1 CitationsSource
#1Jiabiao Zou (SJTU: Shanghai Jiao Tong University)H-Index: 3
#2Xiaoyuan Zhang (SJTU: Shanghai Jiao Tong University)H-Index: 6
Last. Jiuzhong Yang (USTC: University of Science and Technology of China)H-Index: 16
view all 10 authors...
Abstract In this work, the oxidation of ethylcyclohexane was studied in a jet-stirred reactor at 780 Torr, 480–780 K and equivalence ratios of 0.5, 1.0 and 2.0. Synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) was used for the detection of oxidation products, including a series of reactive intermediates such as cycloalkylhydroperoxides, keto-hydroperoxides, alkenal-hydroperoxides and highly oxygenated molecules. Quantum chemistry calculations were performed to obtain ...
1 CitationsSource
#1Jie Xue (Sichuan University)
#2Shuanghui Xi (Sichuan University)
Last. Fan Wang (Sichuan University)H-Index: 7
view all 3 authors...
Abstract The AramcoMech 3.0 mechanism containing 581 species and 3037 reactions for oxidation of hydrocarbon and oxygenated C0 C4 fuels is reduced using six direct relation graph (DRG) related methods for the following fourteen fuels: hydrogen, carbon monoxide, methane, formaldehyde, methanol, acetylene, ethylene, ethane, acetaldehyde, ethanol, propene, 1,3-butadiene, isobutene and 2-butene. Maximum error on ignition delay times increases sharply when certain species is removed from skeletal mec...
Source
#1Qinhao Fan (THU: Tsinghua University)H-Index: 1
#2Yunliang Qi (THU: Tsinghua University)H-Index: 8
Last. Zhi Wang (THU: Tsinghua University)H-Index: 28
view all 3 authors...
Abstract Spark assistance in homogeneous charge compression ignition (HCCI) is a promising method to improve combustion stability. Fundamental experiments were carried out in a rapid compression machine along with chemical kinetics analysis to investigate the complete combustion process of spark ignition to compression ignition (SICI) using ethanol-blended fuels. Five fuels, consisting of n-heptane, iso-octane and ethanol with different fractions, are divided into two groups. The fuels with diff...
Source
#1Zachary J. BurasH-Index: 5
#2Cosmin SaftaH-Index: 12
Last. Leonid ShepsH-Index: 15
view all 4 authors...
Abstract Chemical kinetics simulations are used to explore whether detailed measurements of relevant chemical species during the oxidation of very dilute fuels (less than 1 Torr partial pressure) in a high-pressure plug flow reactor (PFR) can predict autoignition propensity. We find that for many fuels the timescale for the onset of spontaneous oxidation in dilute fuel/air mixtures in a simple PFR is similar to the 1st-stage ignition delay time (IDT) at stoichiometric engine-relevant conditions....
Source
#1Yebing Mao (SJTU: Shanghai Jiao Tong University)H-Index: 7
#2Mohsin Raza (SJTU: Shanghai Jiao Tong University)H-Index: 1
Last. Xingcai Lu (SJTU: Shanghai Jiao Tong University)H-Index: 20
view all 8 authors...
Abstract This work presents new fundamental combustion experimental datasets and propose an improved kinetic model for n-dodecane, a widely used surrogate component for jet fuels and diesel. In the experiments, ignition delay times for n-dodecane, were measured over low-to-high temperature range by combining a heated rapid compression machine (RCM) and a heated shock tube (ST). The measurements cover a wide range of temperatures (621–1320 K), pressures (8, 15 bar) and equivalence ratios (0.5–1.5...
1 CitationsSource