An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends

Lokachari, Nitin; Wagnon, Scott W.; Kukkadapu, Goutham; Pitz, William J.; Curran, Henry J.

doi:10.1016/j.combustflame.2020.10.017

An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends

Journal Article · Fri Nov 13 00:00:00 EST 2020 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2020.10.017· OSTI ID:1762862

Lokachari, Nitin ^[1]; ^[2]; Kukkadapu, Goutham ^[2]; Pitz, William J. ^[2]; Curran, Henry J. ^[1]

National Univ. of Ireland, Galway (Ireland)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Cyclopentane is a suitable naphthene, or cycloalkane, in a palette for multi-component gasoline surrogate fuels due to its presence in market fuels and its relevance to alkyl substituted cyclopentanes also present. However, the previous oxidation studies of cyclopentane have primarily focused on neat mixtures. Blending cyclopentane with dimethyl ether in this work therefore serves to inform our understanding of, and improve predictive models for, multi-component mixtures. Here, the auto-ignition of cyclopentane/dimethyl ether blends was studied in a high-pressure shock tube and in a rapid compression machine. A wide range of temperatures (650 – 1350 K) and elevated pressures of 20 and 40 bar were studied at equivalence ratios of 0.5, 1.0 and 2.0 in air for two blending ratios (30/70 and 70/30 mole% cyclopentane/di-methyl ether mixtures). A detailed kinetic model for cyclopentane was revised to capture the measured ignition delay times and apparent heat release rates in this study. Literature ignition delay time, jet-stirred reactor, and laminar burning velocity measurements of neat cyclopentane were used as additional validation. Improvements to the kinetic model were based on recent literature studies related to sub-models including cyclopentene and cyclopentadiene which allowed the removal of previous local rate-constant optimizations. Low temperature reactivity of cyclopentane was found to be controlled by the branching ratio between concerted elimination of HO͘₂ and the strained formation of Q̇OOH radicals in agreement with previous studies. In this study, the low branching ratio of Q̇OOH formation increases the influence of a competing consumption pathway for cyclopentyl-peroxy (CPTO͘₂J) radicals. The sensitivity of the simulated ignition delay times to the formation of cyclopentyl hydroperoxide (CPTO₂H), from CPTO͘₂J and HO͘₂, is discussed. The current model is used to analyze the influence of dimethyl ether on the reactivity of cyclopentane in the context of previous literature studies of dimethyl ether binary blends with ethanol and toluene.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: Science Foundation Ireland (SFI); USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1762862

Alternate ID(s):: OSTI ID: 1809388

Report Number(s):: LLNL-JRNL--811439; 1018286

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Vol. 225; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (84)

Thermochemical and kinetic analysis on the addition reactions of H, O, OH, and HO2 with 1,3 cyclopentadiene Zhong, Xian; Bozzelli, Joseph W. International Journal of Chemical Kinetics, Vol. 29, Issue 12 https://doi.org/10.1002/(SICI)1097-4601(1997)29:12<893::AID-KIN2>3.0.CO;2-H	journal	January 1997
The Impact of Resonance Stabilization on the Intramolecular Hydrogen-Atom Shift Reactions of Hydrocarbon Radicals Wang, Kun; Villano, Stephanie M.; Dean, Anthony M. ChemPhysChem, Vol. 16, Issue 12 https://doi.org/10.1002/cphc.201500396	journal	July 2015
Experimental and modeling study of the autoignition of cyclopentene Yahyaoui, M.; Hakka, M. H.; Glaude, P. A. International Journal of Chemical Kinetics, Vol. 40, Issue 1 https://doi.org/10.1002/kin.20290	journal	January 2008
A shock tube study of cyclopentane and cyclohexane ignition at elevated pressures Daley, Shane M.; Berkowitz, Andrew M.; Oehlschlaeger, Matthew A. International Journal of Chemical Kinetics, Vol. 40, Issue 10 https://doi.org/10.1002/kin.20353	journal	October 2008
A Shock Tube Study of H Atom Addition to Cyclopentene: A SHOCK TUBE STUDY OF H ATOM ADDITION TO CYCLOPENTENE Manion, Jeffrey A.; Awan, Iftikhar A. International Journal of Chemical Kinetics, Vol. 50, Issue 4 https://doi.org/10.1002/kin.21150	journal	February 2018
Reaction of atomic oxygen with cyclopentadiene Nakamura, Kazumoto; Koda, Seiichiro International Journal of Chemical Kinetics, Vol. 9, Issue 1 https://doi.org/10.1002/kin.550090107	journal	January 1977
Thermal decomposition of cyclopentane and related compounds Tsang, Wing International Journal of Chemical Kinetics, Vol. 10, Issue 6 https://doi.org/10.1002/kin.550100607	journal	June 1978
THERM: Thermodynamic property estimation for gas phase radicals and molecules Ritter, Edward R.; Bozzelli, Joseph W. International Journal of Chemical Kinetics, Vol. 23, Issue 9 https://doi.org/10.1002/kin.550230903	journal	September 1991
Self-ignition of diesel-relevant hydrocarbon-air mixtures under engine conditions Pfahl, U.; Fieweger, K.; Adomeit, G. Symposium (International) on Combustion, Vol. 26, Issue 1 https://doi.org/10.1016/S0082-0784(96)80287-6	journal	January 1996
Experimental study of fuel decomposition and hydrocarbon growth processes for cyclohexane and related compounds in nonpremixed flames McEnally, Charles S.; Pfefferle, Lisa D. Combustion and Flame, Vol. 136, Issue 1-2 https://doi.org/10.1016/j.combustflame.2003.09.012	journal	January 2004
Shock tube measurements of high temperature rate constants for OH with cycloalkanes and methylcycloalkanes Sivaramakrishnan, R.; Michael, J. V. Combustion and Flame, Vol. 156, Issue 5 https://doi.org/10.1016/j.combustflame.2008.10.010	journal	May 2009
On the chemical kinetics of cyclopentadiene oxidation Robinson, R. K.; Lindstedt, R. P. Combustion and Flame, Vol. 158, Issue 4 https://doi.org/10.1016/j.combustflame.2010.12.001	journal	April 2011
Methyl butanoate inhibition of n-heptane diffusion flames through an evaluation of transport and chemical kinetics Dooley, Stephen; Uddi, Mruthunjaya; Won, Sang Hee Combustion and Flame, Vol. 159, Issue 4 https://doi.org/10.1016/j.combustflame.2011.09.016	journal	April 2012
An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures Burke, Ultan; Somers, Kieran P.; O’Toole, Peter Combustion and Flame, Vol. 162, Issue 2 https://doi.org/10.1016/j.combustflame.2014.08.014	journal	February 2015
On the uncertainty of temperature estimation in a rapid compression machine Weber, Bryan W.; Sung, Chih-Jen; Renfro, Michael W. Combustion and Flame, Vol. 162, Issue 6 https://doi.org/10.1016/j.combustflame.2015.03.001	journal	June 2015
Fundamentally-based kinetic model for propene pyrolysis Wang, Kun; Villano, Stephanie M.; Dean, Anthony M. Combustion and Flame, Vol. 162, Issue 12 https://doi.org/10.1016/j.combustflame.2015.08.012	journal	December 2015
Compositional effects on the ignition of FACE gasolines Sarathy, S. Mani; Kukkadapu, Goutham; Mehl, Marco Combustion and Flame, Vol. 169 https://doi.org/10.1016/j.combustflame.2016.04.010	journal	July 2016
An updated experimental and kinetic modeling study of n-heptane oxidation Zhang, Kuiwen; Banyon, Colin; Bugler, John Combustion and Flame, Vol. 172 https://doi.org/10.1016/j.combustflame.2016.06.028	journal	October 2016
Reaction mechanism, rate constants, and product yields for unimolecular and H-assisted decomposition of 2,4-cyclopentadienone and oxidation of cyclopentadienyl with atomic oxygen Ghildina, A. R.; Oleinikov, A. D.; Azyazov, V. N. Combustion and Flame, Vol. 183 https://doi.org/10.1016/j.combustflame.2017.05.015	journal	September 2017
Cyclopentane combustion. Part II. Ignition delay measurements and mechanism validation Al Rashidi, Mariam J.; Mármol, Juan C.; Banyon, Colin Combustion and Flame, Vol. 183 https://doi.org/10.1016/j.combustflame.2017.05.017	journal	September 2017
Cyclopentane combustion chemistry. Part I: Mechanism development and computational kinetics Al Rashidi, Mariam J.; Mehl, Marco; Pitz, William J. Combustion and Flame, Vol. 183 https://doi.org/10.1016/j.combustflame.2017.05.018	journal	September 2017
Reaction mechanism, rate constants, and product yields for the oxidation of Cyclopentadienyl and embedded five-member ring radicals with hydroxyl Galimova, G. R.; Azyazov, V. N.; Mebel, A. M. Combustion and Flame, Vol. 187 https://doi.org/10.1016/j.combustflame.2017.09.005	journal	January 2018
Experimental and modeling studies of a biofuel surrogate compound: laminar burning velocities and jet-stirred reactor measurements of anisole Wagnon, Scott W.; Thion, Sébastien; Nilsson, Elna J. K. Combustion and Flame, Vol. 189 https://doi.org/10.1016/j.combustflame.2017.10.020	journal	March 2018
Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether Zhang, Yingjia; El-Merhubi, Hilal; Lefort, Benoîte Combustion and Flame, Vol. 190 https://doi.org/10.1016/j.combustflame.2017.11.011	journal	April 2018
Oxidation of cyclopentadienyl radical with molecular oxygen: A theoretical study Oleinikov, Artem D.; Azyazov, Valeriy N.; Mebel, Alexander M. Combustion and Flame, Vol. 191 https://doi.org/10.1016/j.combustflame.2018.01.010	journal	May 2018
Low temperature autoignition of 5-membered ring naphthenes: Effects of substitution Fridlyand, Aleksandr; Goldsborough, S. Scott; Al Rashidi, Mariam Combustion and Flame, Vol. 200 https://doi.org/10.1016/j.combustflame.2018.10.028	journal	February 2019
Simulation of turbulent flow in a rapid compression machine: Large Eddy Simulation and computationally efficient alternatives for the design of ignition delay time experiments Yousefian, Sajjad; Quinlan, Nathan J.; Monaghan, Rory F. D. Fuel, Vol. 234 https://doi.org/10.1016/j.fuel.2018.06.117	journal	December 2018
A comparison study of cyclopentane and cyclohexane laminar flame speeds at elevated pressures and temperatures Zhao, Haoran; Wang, Jinhua; Cai, Xiao Fuel, Vol. 234 https://doi.org/10.1016/j.fuel.2018.06.134	journal	December 2018
Group additive modeling of cyclopentane pyrolysis Khandavilli, Muralikrishna V.; Vermeire, Florence H.; Van de Vijver, Ruben Journal of Analytical and Applied Pyrolysis, Vol. 128 https://doi.org/10.1016/j.jaap.2017.08.005	journal	November 2017
The autoignition of cyclopentane and cyclohexane in a shock tube Sirjean, B.; Buda, F.; Hakka, H. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.247	journal	January 2007
Theoretical rate coefficients for the reaction of methyl radical with hydroperoxyl radical and for methylhydroperoxide decomposition Jasper, Ahren W.; Klippenstein, Stephen J.; Harding, Lawrence B. Proceedings of the Combustion Institute, Vol. 32, Issue 1 https://doi.org/10.1016/j.proci.2008.05.036	journal	January 2009
Theoretical rate coefficients for allyl+HO2 and allyloxy decomposition Goldsmith, C. Franklin; Klippenstein, Stephen J.; Green, William H. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.05.054	journal	January 2011
On the kinetics of the C5H5+C5H5 reaction Cavallotti, Carlo; Polino, Daniela Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.05.097	journal	January 2013
Effect of non-thermal product energy distributions on ketohydroperoxide decomposition kinetics Goldsmith, C. Franklin; Burke, Michael P.; Georgievskii, Yuri Proceedings of the Combustion Institute, Vol. 35, Issue 1 https://doi.org/10.1016/j.proci.2014.05.006	journal	January 2015
Faster solvers for large kinetic mechanisms using adaptive preconditioners McNenly, Matthew J.; Whitesides, Russell A.; Flowers, Daniel L. Proceedings of the Combustion Institute, Vol. 35, Issue 1 https://doi.org/10.1016/j.proci.2014.05.113	journal	January 2015
Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred reactor experiments, computational chemistry, and kinetic modeling Al Rashidi, Mariam J.; Thion, Sébastien; Togbé, Casimir Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.05.036	journal	January 2017
A shock tube laser schlieren study of cyclopentane pyrolysis Randazzo, John B.; Annesley, Christopher J.; Bell, Kirsten Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.05.038	journal	January 2017
The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene Li, Yang; Zhou, Chong-Wen; Somers, Kieran P. Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.05.052	journal	January 2017
Probing the antagonistic effect of toluene as a component in surrogate fuel models at low temperatures and high pressures. A case study of toluene/dimethyl ether mixtures Zhang, Yingjia; Somers, Kieran P.; Mehl, Marco Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.06.190	journal	January 2017
Kinetic modeling study of surrogate components for gasoline, jet and diesel fuels: C7-C11 methylated aromatics Kukkadapu, Goutham; Kang, Dongil; Wagnon, Scott W. Proceedings of the Combustion Institute, Vol. 37, Issue 1 https://doi.org/10.1016/j.proci.2018.08.016	journal	January 2019
Auto-ignition study of FACE gasoline and its surrogates at advanced IC engine conditions Kang, Dongil; Fridlyand, Aleksandr; Goldsborough, S. Scott Proceedings of the Combustion Institute, Vol. 37, Issue 4 https://doi.org/10.1016/j.proci.2018.08.053	journal	January 2019
Hydroprocessing of Biorenewable Thermal Deoxygenation Oils Eaton, Scott J.; Beis, Sedat H.; Karunarathne, Sampath A. Energy & Fuels, Vol. 29, Issue 5 https://doi.org/10.1021/acs.energyfuels.5b00396	journal	April 2015
Properties of Ethanol Fuel Blends Made with Natural Gasoline Alleman, Teresa L.; McCormick, Robert L.; Yanowitz, Janet Energy & Fuels, Vol. 29, Issue 8 https://doi.org/10.1021/acs.energyfuels.5b00818	journal	July 2015
A Comprehensive Experimental and Simulation Study of Ignition Delay Time Characteristics of Single Fuel C ₁ –C ₂ Hydrocarbons over a Wide Range of Temperatures, Pressures, Equivalence Ratios, and Dilutions Baigmohammadi, Mohammadreza; Patel, Vaibhav; Martinez, Sergio Energy & Fuels, Vol. 34, Issue 3 https://doi.org/10.1021/acs.energyfuels.9b04139	journal	February 2020
Cyclopentadienone Oxidation Reaction Kinetics and Thermochemistry for the Alcohols, Hydroperoxides, and Vinylic, Alkoxy, and Alkylperoxy Radicals Yommee, Suriyakit; Bozzelli, Joseph W. The Journal of Physical Chemistry A, Vol. 120, Issue 3 https://doi.org/10.1021/acs.jpca.5b09004	journal	January 2016
Study of the Formation of the First Aromatic Rings in the Pyrolysis of Cyclopentene Herbinet, Olivier; Rodriguez, Anne; Husson, Benoit The Journal of Physical Chemistry A, Vol. 120, Issue 5 https://doi.org/10.1021/acs.jpca.5b09203	journal	December 2015
Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by ³ O ₂ ; Implications for Combustion Modeling and Simulation Zhou, Chong-Wen; Simmie, John M.; Somers, Kieran P. The Journal of Physical Chemistry A, Vol. 121, Issue 9 https://doi.org/10.1021/acs.jpca.6b12144	journal	February 2017
Mystery of 1-Vinylpropargyl Formation from Acetylene Addition to the Propargyl Radical: An Open-and-Shut Case da Silva, Gabriel The Journal of Physical Chemistry A, Vol. 121, Issue 10 https://doi.org/10.1021/acs.jpca.6b12996	journal	March 2017
Extensive Theoretical Study of the Thermochemical Properties of Unsaturated Hydrocarbons and Allylic and Super-Allylic Radicals: The Development and Optimization of Group Additivity Values Li, Yang; Curran, Henry J. The Journal of Physical Chemistry A, Vol. 122, Issue 20 https://doi.org/10.1021/acs.jpca.8b02912	journal	May 2018
Polarizabilities of Solvents from the Chemical Composition Bosque, Ramón; Sales, Joaquim Journal of Chemical Information and Computer Sciences, Vol. 42, Issue 5 https://doi.org/10.1021/ci025528x	journal	September 2002
Thermal Rearrangements of Vinylcyclopropanes to Cyclopentenes Baldwin, John E. Chemical Reviews, Vol. 103, Issue 4 https://doi.org/10.1021/cr010020z	journal	April 2003
Dimethyl Ether Autoignition at Engine-Relevant Conditions Li, Zhenhua; Wang, Weijing; Huang, Zhen Energy & Fuels, Vol. 27, Issue 5 https://doi.org/10.1021/ef400293z	journal	April 2013
Shock Tube and Kinetic Modeling Study of Cyclopentane and Methylcyclopentane Tian, Zemin; Tang, Chenglong; Zhang, Yingjia Energy & Fuels, Vol. 29, Issue 1 https://doi.org/10.1021/ef502552e	journal	December 2014
A high-temperature photochemistry kinetics study of the reaction of oxygen(3P) atoms with ethylene from 290 to 1510 K Mahmud, Khaled.; Marshall, Paul.; Fontijn, Arthur. The Journal of Physical Chemistry, Vol. 91, Issue 6 https://doi.org/10.1021/j100290a056	journal	March 1987
The Thermal Isomerization of Vinylcyclopropane Wellington, C. A. The Journal of Physical Chemistry, Vol. 66, Issue 9 https://doi.org/10.1021/j100815a026	journal	September 1962
Rates of reactions of cyclopropane, cyclobutane, cyclopentene,and cyclohexene in the presence of boron trichloride Lewis, D. K.; Bergmann, J.; Manjoney, R. The Journal of Physical Chemistry, Vol. 88, Issue 18 https://doi.org/10.1021/j150662a051	journal	August 1984
Ring Expansion in Methylcyclopentadiene Radicals. Quantum Chemical and Kinetics Calculations Dubnikova, Faina; Lifshitz, Assa The Journal of Physical Chemistry A, Vol. 106, Issue 35 https://doi.org/10.1021/jp020782d	journal	September 2002
Reaction of Ethylene with Hydroxyl Radicals: A Theoretical Study ^† Senosiain, Juan P.; Klippenstein, Stephen J.; Miller, James A. The Journal of Physical Chemistry A, Vol. 110, Issue 21 https://doi.org/10.1021/jp0566820	journal	June 2006
Reflected Shock Tube Studies of High-Temperature Rate Constants for CH ₃ + O ₂ , H ₂ CO + O ₂ , and OH + O ₂ Srinivasan, N. K.; Su, M. -C.; Sutherland, J. W. The Journal of Physical Chemistry A, Vol. 109, Issue 35 https://doi.org/10.1021/jp0581330	journal	September 2005
Detailed Kinetic Study of the Ring Opening of Cycloalkanes by CBS-QB3 Calculations Sirjean, B.; Glaude, P. A.; Ruiz-Lopez, M. F. The Journal of Physical Chemistry A, Vol. 110, Issue 46 https://doi.org/10.1021/jp0651081	journal	November 2006
On the Combination Reactions of Hydrogen Atoms with Resonance-Stabilized Hydrocarbon Radicals ^† Harding, Lawrence B.; Klippenstein, Stephen J.; Georgievskii, Yuri The Journal of Physical Chemistry A, Vol. 111, Issue 19 https://doi.org/10.1021/jp0682309	journal	May 2007
Thermochemical and Kinetic Analysis on the Reactions of O ₂ with Products from OH Addition to Isobutene, 2-Hydroxy-1,1-dimethylethyl, and 2-Hydroxy-2-methylpropyl Radicals: HO ₂ Formation from Oxidation of Neopentane, Part II Sun, Hongyan; Bozzelli, Joseph W.; Law, Chung K. The Journal of Physical Chemistry A, Vol. 111, Issue 23 https://doi.org/10.1021/jp070072d	journal	June 2007
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
Pressure-Dependent OH Yields in Alkene + HO ₂ Reactions: A Theoretical Study Zádor, Judit; Klippenstein, Stephen J.; Miller, James A. The Journal of Physical Chemistry A, Vol. 115, Issue 36 https://doi.org/10.1021/jp2059276	journal	September 2011
Dissociation of Propyl Radicals and Other Reactions on a C ₃ H ₇ Potential Miller, James A.; Klippenstein, Stephen J. The Journal of Physical Chemistry A, Vol. 117, Issue 13 https://doi.org/10.1021/jp312712p	journal	February 2013
Recombination of Allyl Radicals in the High Temperature Fall-Off Regime Lynch, Patrick T.; Annesley, Christopher J.; Aul, Christopher J. The Journal of Physical Chemistry A, Vol. 117, Issue 23 https://doi.org/10.1021/jp402484v	journal	May 2013
Reactivity–Structure-Based Rate Estimation Rules for Alkyl Radical H Atom Shift and Alkenyl Radical Cycloaddition Reactions Wang, Kun; Villano, Stephanie M.; Dean, Anthony M. The Journal of Physical Chemistry A, Vol. 119, Issue 28 https://doi.org/10.1021/jp511017z	journal	January 2015
Experimental and Theoretical Studies on the Dynamics of the O( ³ P) + Propene Reaction: Primary Products, Branching Ratios, and Role of Intersystem Crossing Leonori, Francesca; Balucani, Nadia; Nevrly, Vaclav The Journal of Physical Chemistry C, Vol. 119, Issue 26 https://doi.org/10.1021/jp512670y	journal	March 2015
Accurate Benchmark Calculation of the Reaction Barrier Height for Hydrogen Abstraction by the Hydroperoxyl Radical from Methane. Implications for C _n H _{2 n +2} where n = 2 → 4 Aguilera-Iparraguirre, Jorge; Curran, Henry J.; Klopper, Wim The Journal of Physical Chemistry A, Vol. 112, Issue 30 https://doi.org/10.1021/jp8012464	journal	July 2008
Rate Constant Rules for the Automated Generation of Gas-Phase Reaction Mechanisms † Carstensen, Hans-Heinrich; Dean, Anthony M. The Journal of Physical Chemistry A, Vol. 113, Issue 2 https://doi.org/10.1021/jp804939v	journal	January 2009
Computed Rate Coefficients and Product Yields for c -C ₅ H ₅ + CH ₃ → Products Sharma, Sandeep; Green, William H. The Journal of Physical Chemistry A, Vol. 113, Issue 31 https://doi.org/10.1021/jp900679t	journal	August 2009
Shock Tube and Theory Investigation of Cyclohexane and 1-Hexene Decomposition Kiefer, J. H.; Gupte, K. S.; Harding, L. B. The Journal of Physical Chemistry A, Vol. 113, Issue 48 https://doi.org/10.1021/jp905891q	journal	December 2009
Kinetics of the Thermal Isomerizations of Gaseous Vinylcyclopropane and Vinylcyclobutane Lewis, David K.; Charney, Donald J.; Kalra, Bansi L. The Journal of Physical Chemistry A, Vol. 101, Issue 22 https://doi.org/10.1021/jp9639556	journal	May 1997
Relevance of the Channel Leading to Formaldehyde + Triplet Ethylidene in the O( ³ P) + Propene Reaction under Combustion Conditions Cavallotti, Carlo; Leonori, Francesca; Balucani, Nadia The Journal of Physical Chemistry Letters, Vol. 5, Issue 23 https://doi.org/10.1021/jz502236y	journal	November 2014
Reactions of allylic radicals that impact molecular weight growth kinetics Wang, Kun; Villano, Stephanie M.; Dean, Anthony M. Physical Chemistry Chemical Physics, Vol. 17, Issue 9 https://doi.org/10.1039/C4CP05308G	journal	January 2015
Ab initio study of the influence of resonance stabilization on intramolecular ring closure reactions of hydrocarbon radicals Wang, Kun; Villano, Stephanie M.; Dean, Anthony M. Physical Chemistry Chemical Physics, Vol. 18, Issue 12 https://doi.org/10.1039/C5CP06994G	journal	January 2016
A theoretical analysis of the reaction between propargyl and molecular oxygen Hahn, David K.; Klippenstein, Stephen J.; Miller, James A. Faraday Discussions, Vol. 119, Issue 1 https://doi.org/10.1039/b102240g	journal	October 2001
The reaction between propene and hydroxyl Zádor, Judit; Jasper, Ahren W.; Miller, James A. Physical Chemistry Chemical Physics, Vol. 11, Issue 46 https://doi.org/10.1039/b915707g	journal	January 2009
Critical Evaluation of Thermochemical Properties of C ₁ –C ₄ Species: Updated Group-Contributions to Estimate Thermochemical Properties Burke, S. M.; Simmie, J. M.; Curran, H. J. Journal of Physical and Chemical Reference Data, Vol. 44, Issue 1 https://doi.org/10.1063/1.4902535	journal	March 2015
Chemical Kinetic Data Sheets for High‐Temperature Reactions. Part II Cohen, N.; Westberg, K. R. Journal of Physical and Chemical Reference Data, Vol. 20, Issue 6 https://doi.org/10.1063/1.555901	journal	November 1991
Evaluated Kinetic Data for Combustion Modelling Baulch, D. L.; Cobos, C. J.; Cox, R. A. Journal of Physical and Chemical Reference Data, Vol. 21, Issue 3 https://doi.org/10.1063/1.555908	journal	May 1992
Evaluated Kinetic Data for Combustion Modeling. Supplement I Baulch, D. L.; Cobos, C. J.; Cox, R. A. Journal of Physical and Chemical Reference Data, Vol. 23, Issue 6 https://doi.org/10.1063/1.555953	journal	November 1994
Determination of and Fuel Structure Effects on Laminar Flame Speeds of C ₁ to C ₈ Hydrocarbons Davis, S. G.; Law, C. K. Combustion Science and Technology, Vol. 140, Issue 1-6 https://doi.org/10.1080/00102209808915781	journal	December 1998
A facility for gas- and condensed-phase measurements behind shock waves Petersen, Eric L.; Rickard, Matthew J. A.; Crofton, Mark W. Measurement Science and Technology, Vol. 16, Issue 9 https://doi.org/10.1088/0957-0233/16/9/003	journal	July 2005

Similar Records

Heavy ion radiolysis of cyclopentane

Journal Article · Thu Jul 13 00:00:00 EDT 1995 · Journal of Physical Chemistry · OSTI ID:91271

Radical reactions in the radiolysis of cyclopentane

Journal Article · Wed Mar 08 23:00:00 EST 1995 · Journal of Physical Chemistry; (United States) · OSTI ID:6455500

Electron spin resonance study of radicals produced in irradiated aqueous solutions of aliphatic hydrocarbons. [Cyclopentane, bromocyclopentane, cyclopentene]

Journal Article · Thu Aug 01 00:00:00 EDT 1974 · Middle East Tech. Univ. J. Pure Appl. Sci.; (United States) · OSTI ID:7148387

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
chemical kinetics
cyclopentane
gasoline surrogates
rapid compression machine
shock-tube

An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends

Citation Formats

References (84)

Similar Records

Related Subjects