{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,26]],"date-time":"2026-06-26T22:44:00Z","timestamp":1782513840587,"version":"3.54.5"},"reference-count":345,"publisher":"Elsevier BV","issue":"4","license":[{"start":{"date-parts":[[2008,8,1]],"date-time":"2008-08-01T00:00:00Z","timestamp":1217548800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Progress in Energy and Combustion Science"],"published-print":{"date-parts":[[2008,8]]},"DOI":"10.1016\/j.pecs.2007.10.002","type":"journal-article","created":{"date-parts":[[2008,6,13]],"date-time":"2008-06-13T16:06:08Z","timestamp":1213373168000},"page":"440-498","source":"Crossref","is-referenced-by-count":589,"title":["Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates"],"prefix":"10.1016","volume":"34","author":[{"given":"F.","family":"Battin-Leclerc","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.pecs.2007.10.002_bib1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/j.proci.2004.08.275","article-title":"Computational combustion","volume":"30","author":"Westbrook","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib2","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/0360-1285(90)90047-7","article-title":"A review of experimental studies of knock chemistry in engines","volume":"162","author":"Litzinger","year":"1990","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib3","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1080\/00102200590883813","article-title":"Numerical modeling of the propagating flame and knock occurrence in spark-ignition engines","volume":"177","author":"Liberman","year":"2005","journal-title":"Combust Sci Technolnol"},{"key":"10.1016\/j.pecs.2007.10.002_bib4","doi-asserted-by":"crossref","unstructured":"Mehl M, Faravelli T, Ranzi E, Lucchini T, Onorati A, Giavazzi F, et al. Kinetic modeling of knock properties in internal combustion engines. SAE 2006-01-3239, 2006.","DOI":"10.4271\/2006-01-3239"},{"key":"10.1016\/j.pecs.2007.10.002_bib5","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1016\/j.pecs.2005.11.003","article-title":"Studies of aromatic hydrocarbon formation mechanisms in flames: progress towards closing the fuel gap","volume":"32","author":"McEnally","year":"2006","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib6","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1016\/S0360-1285(00)00009-5","article-title":"Formation of polycyclic aromatic hydrocarbons and their growth to soot\u2014a review of chemical reaction pathways","volume":"26","author":"Richter","year":"2000","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib7","doi-asserted-by":"crossref","unstructured":"Aceves SM, Flowers DL, Martinez-Frias J, Smith JR, Westbrook CK, Pitz WJ, et al. A sequential fluid-mechanic chemical\u2013kinetic model of propane HCCI combustion. SAE 2001-01-1027, 2001.","DOI":"10.4271\/2001-01-1027"},{"key":"10.1016\/j.pecs.2007.10.002_bib8","unstructured":"Results of the review of the Community Strategy to reduce CO2 emissions from passenger cars and light-commercial vehicles. Communication from the Commission to the Council and the European Parliament. Commission of the European Communities, Brussels, 2007"},{"key":"10.1016\/j.pecs.2007.10.002_bib9","unstructured":"Kalghatgi GT. Sustainable automotive fuels for the future. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib10","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1504\/IJVD.2007.013222","article-title":"Kinetic modelling of a surrogate diesel fuel applied to 3D auto-ignition in HCCI engines","volume":"44","author":"Bounaceur","year":"2007","journal-title":"Int J Vehicle Design"},{"key":"10.1016\/j.pecs.2007.10.002_bib11","series-title":"Fuels and engines","author":"Guibet","year":"1999"},{"key":"10.1016\/j.pecs.2007.10.002_bib12","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1016\/j.pecs.2006.08.003","article-title":"Biofuels (alcohols and biodiesel) applications as fuels for internal combustion engines","volume":"33","author":"Agarwal","year":"2007","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib13","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/S0360-1285(97)00034-8","article-title":"Combustion of fat and vegatable oil derived fuels in diesel engines","volume":"24","author":"Graboski","year":"1998","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib14","doi-asserted-by":"crossref","first-page":"6912","DOI":"10.1021\/jp056362g","article-title":"Chemical kinetic modeling of the effects of oxygenated hydrocarbons on soot emissions from diesel engines","volume":"110","author":"Westbrook","year":"2006","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib15","doi-asserted-by":"crossref","first-page":"4150","DOI":"10.1021\/es062085v","article-title":"Effect of ethanol (E85) versus gasoline vehicles on cancer mortality in the United States","volume":"41","author":"Jacobson","year":"2007","journal-title":"Environ Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib16","doi-asserted-by":"crossref","first-page":"490","DOI":"10.1007\/s002040000155","article-title":"Cytotoxic and mutagenic effects, particle size and concentration analysis of diesel engine emissions using biodiesel and petro diesel as fuel","volume":"74","author":"B\u00fcnger","year":"2000","journal-title":"Arch Toxicol"},{"key":"10.1016\/j.pecs.2007.10.002_bib17","unstructured":"Tomlin AS. Can combustion technologies reduce our impact on both the global climate and local air quality? In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib18","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1016\/S0360-1285(03)00060-1","article-title":"Detailed chemical kinetic models for the combustion of hydrocarbon fuels","volume":"29","author":"Simmie","year":"2003","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib19","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1016\/S0010-2180(02)00437-6","article-title":"Kinetic modeling of the interactions between NO and hydrocarbons at low temperature","volume":"132","author":"Frassoldati","year":"2003","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib20","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/S0010-2180(03)00152-4","article-title":"Kinetic modeling of the interactions between NO and hydrocarbons at high temperature","volume":"135","author":"Frassoldati","year":"2003","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib21","doi-asserted-by":"crossref","first-page":"512","DOI":"10.1016\/j.combustflame.2006.01.002","article-title":"Nitric oxide interactions with hydrocarbon oxidation in a jet-stirred reactor at 10 atm","volume":"145","author":"Mor\u00e9ac","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib22","doi-asserted-by":"crossref","first-page":"2879","DOI":"10.1016\/j.proci.2006.07.168","article-title":"HCCI combustion: effect of NO in EGR","volume":"31","author":"Dubreuil","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib23","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/0360-1285(94)00022-V","article-title":"Reduced kinetic models and their application to practical combustion systems","volume":"21","author":"Griffiths","year":"1995","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib24","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1016\/j.combustflame.2005.03.005","article-title":"Progress towards an unified detailed kinetic model for the autoignition of alkanes from C4 to C10 between 600 and 1200K","volume":"142","author":"Buda","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib25","doi-asserted-by":"crossref","unstructured":"Burcat A, Ruscic B. Third millennium ideal gas and consensed phase thermochemical database for combustion with updates from active thermochemical tables. Argonne National Laboratory Report, 2005 \u3008http:\/\/garfield.chem.elte.hu\/Burcat\/burcat.html\u3009.","DOI":"10.2172\/925269"},{"key":"10.1016\/j.pecs.2007.10.002_bib26","unstructured":"Allendorf MD. HiTempThermo database. 2006 \u3008http:\/\/www.ca.sandia.gov\/HiTempThermo\/index.html\u3009."},{"key":"10.1016\/j.pecs.2007.10.002_bib27","doi-asserted-by":"crossref","first-page":"767","DOI":"10.1002\/kin.550230903","article-title":"THERM: thermodynamic property estimation for gas phase radicals and molecules","volume":"23","author":"Ritter","year":"1991","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib28","first-page":"1154","article-title":"A computer program for the evaluation of thermochemical data of molecules and free radicals in the gas phase","volume":"92","author":"Muller","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib29","series-title":"Thermochemical kinetics","author":"Benson","year":"1976"},{"key":"10.1016\/j.pecs.2007.10.002_bib30","series-title":"Gas-phase combustion chemistry","article-title":"Combustion chemistry modeling","author":"Lissianski","year":"2000"},{"key":"10.1016\/j.pecs.2007.10.002_bib31","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1063\/1.555759","article-title":"Chemical kinetic data base for combustion chemistry. Part 1. Methane and related compounds","volume":"15","author":"Tsang","year":"1986","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib32","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1063\/1.555802","article-title":"Chemical kinetic data base for combustion chemistry. Part 2. Methanol","volume":"16","author":"Tsang","year":"1987","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib33","doi-asserted-by":"crossref","first-page":"887","DOI":"10.1063\/1.555806","article-title":"Chemical kinetic data base for combustion chemistry. Part 3. Propane","volume":"17","author":"Tsang","year":"1988","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib34","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1063\/1.555877","article-title":"Chemical kinetic data base for combustion chemistry. Part 4. Isobutane","volume":"19","author":"Tsang","year":"1990","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib35","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1063\/1.555880","article-title":"Chemical kinetic data base for combustion chemistry. Part 5. Propene","volume":"20","author":"Tsang","year":"1991","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib36","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1063\/1.555908","article-title":"CEC group on evaluation of kinetic data for combustion modeling","volume":"21","author":"Baulch","year":"1992","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib37","doi-asserted-by":"crossref","first-page":"847","DOI":"10.1063\/1.555953","article-title":"CEC group on evaluation of kinetic data for combustion modeling","volume":"23","author":"Baulch","year":"1994","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib38","doi-asserted-by":"crossref","first-page":"757","DOI":"10.1063\/1.1748524","article-title":"Evaluated kinetic data for combustion modeling: supplement II","volume":"34","author":"Baulch","year":"2005","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib39","doi-asserted-by":"crossref","first-page":"478","DOI":"10.1002\/bbpc.19740780510","article-title":"Fall-off curves of unimolecular reaction","volume":"78","author":"Troe","year":"1974","journal-title":"Ber Buns Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib40","unstructured":"Smith GP, Golden DM, Frenklach M, Moriarty NW, Eiteneer B, Goldenberg M, et al. \u3008http:\/\/www.me.berkeley.edu\/gri_mech\/\u3009."},{"key":"10.1016\/j.pecs.2007.10.002_bib41","unstructured":"Konnov AA. Detailed reaction mechanism for small hydrocarbons combustion. Release 0.5, 2000 \u3008http:\/\/homepages.vub.ac.be\/~akonnov\u3009."},{"key":"10.1016\/j.pecs.2007.10.002_bib42","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1080\/00102209408907691","article-title":"Oxidation and ignition of methane\u2013propane and methane\u2013ethane\u2013propane mixtures: experiments and modelling","volume":"103","author":"Tan","year":"1994","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib43","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1002\/kin.1048","article-title":"Development and testing of a comprehensive chemical mechanism for the oxidation of methane","volume":"33","author":"Hughes","year":"2001","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib44","unstructured":"Kee RJ, Rupley FM, Miller JA. Chemkin II. A Fortran chemical kinetics package for the analysis of a gas-phase chemical kinetics. Sandia Laboratories Report, SAND 89-8009B, 1993 \u3008http:\/\/www.reactiondesign.com\/\u3009."},{"key":"10.1016\/j.pecs.2007.10.002_bib45","series-title":"Photochemistry and reaction kinetics","author":"Knox","year":"1967"},{"key":"10.1016\/j.pecs.2007.10.002_bib46","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1021\/ba-1968-0076.ch031","article-title":"Oxidation of organic compounds, vol. 2","volume":"76","author":"Fish","year":"1968","journal-title":"Adv Chem Ser"},{"key":"10.1016\/j.pecs.2007.10.002_bib47","article-title":"Hydrocarbons","volume":"vol. 17","author":"Pollard","year":"1977"},{"key":"10.1016\/j.pecs.2007.10.002_bib48","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/0010-2180(85)90001-X","article-title":"Chemical aspects of autoignition of hydrocarbon\u2013air mixtures","volume":"60","author":"Cox","year":"1985","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib49","article-title":"Basic chemistry of combustion","volume":"vol. 35","author":"Walker","year":"1997"},{"key":"10.1016\/j.pecs.2007.10.002_bib50","article-title":"Experimental and numerical studies of oxidation chemistry and spontaneous ignition phenomena","volume":"vol. 35","author":"Griffiths","year":"1997"},{"key":"10.1016\/j.pecs.2007.10.002_bib51","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0360-1285(84)90118-7","article-title":"Chemical kinetic modelling of hydrocarbon combustion","volume":"10","author":"Westbrook","year":"1984","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib52","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1080\/00102208308923692","article-title":"The mechanism of high temperature combustion of propane and butane","volume":"34","author":"Warnatz","year":"1983","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib53","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/0010-2180(83)90118-9","article-title":"Chemical kinetics of the oxidation of methyl tert-butyl ether (MTBE)","volume":"52","author":"Brocard","year":"1983","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib54","first-page":"706","article-title":"Study of the oxidation of unsymmetrical ethers (ETBE, TAME) and tentative interpretation of their high octane numbers","volume":"92","author":"El Kadi","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib55","doi-asserted-by":"crossref","first-page":"713","DOI":"10.1002\/1097-4601(2000)32:12<713::AID-KIN1>3.0.CO;2-9","article-title":"The reaction kinetics of dimethyl ether, I: high-temperature pyrolysis and oxidation in flow reactors","volume":"32","author":"Fischer","year":"2000","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib56","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1002\/1097-4601(2000)32:12<741::AID-KIN2>3.0.CO;2-9","article-title":"The reaction kinetics of dimethyl ether, II: low-temperature oxidation in flow reactors","volume":"32","author":"Curran","year":"2000","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib57","doi-asserted-by":"crossref","first-page":"631","DOI":"10.1002\/kin.550060503","article-title":"Very low-pressure pyrolysis (VLPP) of t-butylmethyl ether","volume":"6","author":"Choo","year":"1974","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib58","first-page":"19","article-title":"Effets de parois dans la pyrolyse du methyl tert-butyl ether (MTBE)","volume":"84","author":"Brocard","year":"1987","journal-title":"J Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib59","doi-asserted-by":"crossref","first-page":"466","DOI":"10.1016\/j.pecs.2005.09.001","article-title":"Biodiesel production from vegatable oils via catalytic and non-catalytic supercritical transesterification methods","volume":"31","author":"Demirbas","year":"2005","journal-title":"Prog Energ Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib60","first-page":"83","article-title":"Cool flames and molecular structure of organic compounds","volume":"4","author":"Baronnet","year":"1983","journal-title":"Oxidat Commun"},{"key":"10.1016\/j.pecs.2007.10.002_bib61","doi-asserted-by":"crossref","first-page":"2955","DOI":"10.1016\/j.proci.2006.07.142","article-title":"Rapeseed oil methyl ester oxidation over extended ranges of pressure, temperature and equivalence ratio: experimental and modeling kinetic study","volume":"31","author":"Dagaut","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib62","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1098\/rspa.1975.0189","article-title":"A mathematical model for hydrocarbon ignition at high pressure","volume":"346","author":"Halstead","year":"1975","journal-title":"Proc R Soc London A"},{"key":"10.1016\/j.pecs.2007.10.002_bib63","doi-asserted-by":"crossref","unstructured":"Hu H, Keck JC. Autoignition of adiabatically compressed combustible gas mixtures. SAE 96:872210, 1987.","DOI":"10.4271\/872110"},{"key":"10.1016\/j.pecs.2007.10.002_bib64","doi-asserted-by":"crossref","first-page":"467","DOI":"10.1016\/S0010-2180(03)00057-9","article-title":"A reduces chemical kinetic model for HCCI combustion of primary reference fuels in a rapid compression machine","volume":"133","author":"Tanaka","year":"2003","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib65","unstructured":"Pitz WJ, Wilk RD, Westbrook CK, Cernansky NP. The oxidation of n-butane at low and intermediate temperatures: an experimental and modeling study. Paper no. WSSCI 88-51, Western States Sections\/The Combustion Institute spring meeting, 1988."},{"key":"10.1016\/j.pecs.2007.10.002_bib66","doi-asserted-by":"crossref","first-page":"1671","DOI":"10.1016\/S0082-0784(00)80566-4","article-title":"Ignition of isomers of pentane: an experimental and kinetic modeling study","volume":"28","author":"Ribaucour","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib67","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1016\/S0082-0784(96)80271-2","article-title":"An intermediate temperature modeling study of the combustion of neopentane","volume":"26","author":"Curran","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib68","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1016\/S0010-2180(99)00014-0","article-title":"A flow reactor study of neopentane oxidation at 8 atmospheres: experiments and modeling","volume":"118","author":"Wang","year":"1999","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib69","doi-asserted-by":"crossref","first-page":"2669","DOI":"10.1016\/S0082-0784(96)80102-0","article-title":"Autoignition chemistry in a motored engine: an experimental and kinetic modeling study","volume":"26","author":"Curran","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib70","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1016\/S0010-2180(97)00282-4","article-title":"A comprehensive study of n-heptane oxidation","volume":"114","author":"Curran","year":"1998","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib71","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1016\/S0010-2180(01)00373-X","article-title":"A Comprehensive study of iso-octane oxidation","volume":"129","author":"Curran","year":"2002","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib72","doi-asserted-by":"crossref","first-page":"1311","DOI":"10.1016\/S1540-7489(02)80161-4","article-title":"Detailed chemical kinetic reaction mechanisms for autoignition of isomers of heptane under rapid compression","volume":"29","author":"Westbrook","year":"2002","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib73","doi-asserted-by":"crossref","first-page":"1579","DOI":"10.1016\/S0082-0784(00)80555-X","article-title":"Detailed chemical kinetic mechanisms for combustion of oxygenated fuels","volume":"28","author":"Fisher","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib74","doi-asserted-by":"crossref","first-page":"1795","DOI":"10.1039\/jr9560001795","article-title":"The oxidation of hydrocarbons and their derivatives. Part I. The observation of the progress of the reaction by pressure change and by analysis","author":"Parsons","year":"1956","journal-title":"J Chem Soc"},{"key":"10.1016\/j.pecs.2007.10.002_bib75","first-page":"1798","article-title":"The oxidation of hydrocarbons and their derivatives. Part II. Structural effects in the ester series","author":"Parsons","year":"1956","journal-title":"J Chem Soc"},{"key":"10.1016\/j.pecs.2007.10.002_bib76","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/0010-2180(94)90084-1","article-title":"Detailed modelling of n-butane autoignition chemistry","volume":"99","author":"Kojima","year":"1994","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib77","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1016\/S0082-0784(98)80422-0","article-title":"Autoignition of n-pentane and 1-pentene: experimental data and kinetic modelling","volume":"27","author":"Ribaucour","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib78","first-page":"25","article-title":"Chemical kinetic modeling of ETBE oxidation at low temperature","volume":"19","author":"B\u00f6hm","year":"1996","journal-title":"Oxidat Commun"},{"key":"10.1016\/j.pecs.2007.10.002_bib79","doi-asserted-by":"crossref","first-page":"1929","DOI":"10.1039\/b000415o","article-title":"Comparative modeling study on the inhibiting effect of TAME, ETBE and MTBE at low temperature","volume":"2","author":"B\u00f6hm","year":"2000","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib80","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/j.proci.2006.08.051","article-title":"A wide-range kinetic modeling study of methyl butanoate combustion","volume":"31","author":"Ga\u00efl","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib81","doi-asserted-by":"crossref","first-page":"4001","DOI":"10.1021\/jp067582c","article-title":"Experimental and modeling study of C5H10O2 ethyl and methyl esters","volume":"11","author":"Metcalfe","year":"2007","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib82","article-title":"Mathematic tools for the construction, investigation and reduction of combustion mechanisms","volume":"vol. 35","author":"Tomlin","year":"1997"},{"key":"10.1016\/j.pecs.2007.10.002_bib83","unstructured":"Chinnick SJ. Computer based elucidation of reaction mechanisms. PhD thesis, University of Leeds, 1987."},{"key":"10.1016\/j.pecs.2007.10.002_bib84","doi-asserted-by":"crossref","first-page":"1362","DOI":"10.1002\/bbpc.199000033","article-title":"Hydrocarbon ignition: automatic generation of reaction mechanisms and application to modeling of engines knock","volume":"94","author":"Chevalier","year":"1990","journal-title":"Bes Buns Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib85","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/S0082-0784(06)80016-0","article-title":"Hydrocarbon ignition: automatic generation of reaction mechanism and applications to modeling of engines knock","volume":"24","author":"Chevalier","year":"1992","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib86","doi-asserted-by":"crossref","first-page":"773","DOI":"10.1016\/S0082-0784(96)80286-4","article-title":"Kinetic modeling of the oxidation of large aliphatic hydrocarbons","volume":"26","author":"Nehse","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib87","unstructured":"Morley C. Automatic analysis of the mechanism for the auto-ignition of alkanes and ethers; correlation with octane number. In: Proceedings of the Anglo-German combustion symposium, Queen's College, Cambridge, 1993."},{"key":"10.1016\/j.pecs.2007.10.002_bib88","doi-asserted-by":"crossref","first-page":"607","DOI":"10.1021\/ci00025a032","article-title":"Reaction: system for modeling chemical reactions","volume":"35","author":"Blurock","year":"1995","journal-title":"J Chem Inf Comput Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib89","doi-asserted-by":"crossref","first-page":"2025","DOI":"10.1080\/00102200600793262","article-title":"Automatic generation of a detailed mechanism for the oxidation of n-decane","volume":"178","author":"Mor\u00e9ac","year":"2006","journal-title":"Combust Sci Tech"},{"key":"10.1016\/j.pecs.2007.10.002_bib90","first-page":"7","article-title":"Pyrolysis, theory and industrial practice","author":"Dente","year":"1983"},{"key":"10.1016\/j.pecs.2007.10.002_bib91","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/S0065-2377(07)32002-4","article-title":"Kinetic modeling of pyrolysis processes in gas and condensed phase","volume":"32","author":"Dente","year":"2007","journal-title":"Adv Chem Eng"},{"key":"10.1016\/j.pecs.2007.10.002_bib92","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1016\/S0360-1285(00)00013-7","article-title":"Lumping procedures in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures","volume":"27","author":"Ranzi","year":"2001","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib93","doi-asserted-by":"crossref","first-page":"5170","DOI":"10.1021\/ie049318g","article-title":"Wide-range kinetic modeling study of the pyrolysis, partial oxidation and combustion of heavy n-alkanes","volume":"44","author":"Ranzi","year":"2005","journal-title":"Ind Eng Chem Res"},{"key":"10.1016\/j.pecs.2007.10.002_bib94","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/0010-2180(94)00253-O","article-title":"Low-temperature combustion: automatic generation of primary oxidation reactions and lumping procedures","volume":"102","author":"Ranzi","year":"1995","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib95","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1080\/00102209408935359","article-title":"A wide-range modeling study of methane oxidation","volume":"96","author":"Ranzi","year":"1994","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib96","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/0010-2180(95)00091-J","article-title":"A wide-range modeling study of n-heptane oxidation","volume":"103","author":"Ranzi","year":"1995","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib97","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/S0010-2180(95)00274-X","article-title":"A wide-range modeling study of iso-octane oxidation","volume":"108","author":"Ranzi","year":"1997","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib98","first-page":"627","article-title":"The oxidation of oxygenated octane improvers: MTBE, ETBE, DIPE and TAME","volume":"26","author":"Goldaniga","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib99","doi-asserted-by":"crossref","first-page":"1027","DOI":"10.1051\/jcp\/1985821027","article-title":"Construction automatique d\u2019un m\u00e9canisme de r\u00e9action radicalaire I\u2014principe","volume":"82","author":"Haux","year":"1985","journal-title":"J Chim Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib100","doi-asserted-by":"crossref","first-page":"739","DOI":"10.1051\/jcp\/1988850739","article-title":"Construction automatique d\u2019un m\u00e9canisme de r\u00e9action radicalaire I\u2014algorithme g\u00e9n\u00e9ral","volume":"85","author":"Haux","year":"1988","journal-title":"J Chim Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib101","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1016\/S0097-8485(99)00092-3","article-title":"Computer based generation of reactions mechanisms for gas-phase oxidation","volume":"24","author":"Warth","year":"2000","journal-title":"Comput. Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib102","doi-asserted-by":"crossref","first-page":"1666","DOI":"10.1051\/jcp\/1995921666","article-title":"Experimental and modelling study of methane and ethane oxidation between 773 and 1573K","volume":"92","author":"Barb\u00e9","year":"1995","journal-title":"J Chim Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib103","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/S0010-2180(97)00273-3","article-title":"Computed aided design of gas-phase oxidation mechanisms: application to the modelling of normal-butane oxidation","volume":"114","author":"Warth","year":"1998","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib104","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1016\/S0010-2180(00)00130-9","article-title":"Construction and simplification of a model of the oxidation of alkanes","volume":"122","author":"Glaude","year":"2000","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib105","first-page":"343","article-title":"Modelling of n-heptane and iso-octane gas-phase oxidation at low temperature by using computer-aided designed mechanisms","volume":"106","author":"Glaude","year":"1997","journal-title":"Bull Soc Chim Belg"},{"key":"10.1016\/j.pecs.2007.10.002_bib106","doi-asserted-by":"crossref","first-page":"1597","DOI":"10.1016\/S0082-0784(00)80557-3","article-title":"Modeling of the gas-phase oxidation of decane from 600 to 1600K","volume":"28","author":"Battin-Leclerc","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib107","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1016\/S0010-2180(99)00129-7","article-title":"Experimental and modeling study of the gas-phase oxidation of methyl and ethyl tertiary butyl ethers","volume":"121","author":"Glaude","year":"2000","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib108","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1016\/0010-2180(94)90009-4","article-title":"Experimental and modeling study of oxidation and autoignition of butane at high pressure","volume":"96","author":"Carlier","year":"1994","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib109","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/0010-2180(94)90056-6","article-title":"Pressure and concentration dependences of the autoignition temperature for normal butane+air mixtures in closed vessel","volume":"99","author":"Chandraratna","year":"1994","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib110","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1080\/00102209608935493","article-title":"Autoignition delays of a series of linear and branched chain alkanes in the intermediate range of temperature","volume":"113\u2013114","author":"Minetti","year":"1996","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib111","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/0010-2180(93)90133-N","article-title":"Fundamental features of hydrocarbon autoignition in a rapid compression machine","volume":"95","author":"Griffiths","year":"1993","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib112","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/S0010-2180(97)00004-7","article-title":"Spontaneous ignition delays as a diagnostic of the propensity of alkanes to cause engine knock","volume":"111","author":"Griffiths","year":"1997","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib113","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1016\/j.combustflame.2004.11.008","article-title":"Self-ignition of a lean mixture of n-pentane and air over a wide range of pressures","volume":"140","author":"Zhukov","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib114","doi-asserted-by":"crossref","first-page":"256","DOI":"10.1016\/j.combustflame.2003.10.002","article-title":"Ignition delay times in lean n-hexane\/air mixture at high pressures","volume":"136","author":"Zhukov","year":"2004","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib115","doi-asserted-by":"crossref","first-page":"2639","DOI":"10.1016\/j.proci.2004.08.180","article-title":"The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study","volume":"30","author":"Silke","year":"2004","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib116","doi-asserted-by":"crossref","first-page":"298","DOI":"10.1016\/0010-2180(94)00236-L","article-title":"A rapid compression machine investigation of oxidation and autoignition of n-heptane: measurements and modeling","volume":"102","author":"Minetti","year":"1995","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib117","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/S0010-2180(02)00457-1","article-title":"Two-stage ignition in HCCI combustion and HCCI control by fuels and additives","volume":"132","author":"Tanaka","year":"2003","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib118","doi-asserted-by":"crossref","first-page":"421","DOI":"10.1016\/0010-2180(93)90142-P","article-title":"Shock-tube investigation of self-ignition of n-heptane\u2013air mixtures under engine relevant conditions","volume":"93","author":"Ciezki","year":"1993","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib119","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1016\/S0010-2180(97)00049-7","article-title":"Self ignition of S.I. engines models fuels: a shock tube investigation at high pressure","volume":"109","author":"Fieweger","year":"1997","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib120","doi-asserted-by":"crossref","first-page":"1147","DOI":"10.1016\/j.proci.2004.07.008","article-title":"Shock tube study of the ignition of lean n-heptane\/air mixtures at intermediate temperatures and high pressures","volume":"30","author":"Herzler","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib121","doi-asserted-by":"crossref","first-page":"300","DOI":"10.1016\/j.combustflame.2004.08.015","article-title":"Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures","volume":"139","author":"Gauthier","year":"2004","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib122","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1016\/S0082-0784(96)80283-9","article-title":"Comparison of oxidation and autoignition of the two primary reference fuels by rapid compression","volume":"26","author":"Minetti","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib123","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1016\/j.combustflame.2005.02.014","article-title":"An experimental and modeling study of iso-octane ignition delay times under homogeneous charge compression ignition conditions","volume":"142","author":"He","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib124","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1016\/j.combustflame.2005.12.014","article-title":"A rapid compression facility study of OH time histories during iso-octane igntion","volume":"145","author":"He","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib125","doi-asserted-by":"crossref","first-page":"246","DOI":"10.1016\/j.combustflame.2006.07.016","article-title":"An experimental investigation of iso-octane ignition phenomena","volume":"150","author":"Walton","year":"2007","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib126","doi-asserted-by":"crossref","first-page":"1175","DOI":"10.1016\/j.proci.2004.08.004","article-title":"Shock tube measurements of iso-octane\/air and toluene\/air at high pressure","volume":"30","author":"Davidson","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib127","unstructured":"Pfahl U, Fieweger K, Adomeit G. Shock tube investigation of ignition delay times of multicomponent fuel\/air mixtures under engines relevant conditions. Subprogram FK4, IDEA-EFFECT, Final report, 1996."},{"key":"10.1016\/j.pecs.2007.10.002_bib128","unstructured":"Zhukov VP, Tsyganov DL, Sechenov VA, Starikovkii AY. N-decane ignition at high pressures. In: Proceedings of the second European combustion meeting, Louvain-la-Neuve, 2005."},{"key":"10.1016\/j.pecs.2007.10.002_bib129","unstructured":"Kumar K, Mittal G, Sung CJ. Autoignition of n-decane under high pressure conditions. In: Proceedings of the fifth US Combustion Institute meeting, San Diego, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib130","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1016\/S0010-2180(98)00147-3","article-title":"Oxidation of neopentane in a jet-stirred reactor from 1 to 10atm: an experimental and detailed kinetic modelling study","volume":"118","author":"Dagaut","year":"1999","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib131","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1080\/00102209408935336","article-title":"High-pressure oxidation of liquid fuels from low to high-temperature n-heptane and iso-octane","volume":"95","author":"Dagaut","year":"1994","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib132","doi-asserted-by":"crossref","first-page":"132","DOI":"10.1016\/0010-2180(94)00184-T","article-title":"Experimental study of the oxidation of n-heptane in a jet-stirred reactor from low temperature to high temperature and pressures up to 40atm","volume":"101","author":"Dagaut","year":"1995","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib133","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1016\/0010-2180(93)90109-G","article-title":"Auto-ignition of n-heptane and n-tetradecane in engine-like conditions","volume":"93","author":"Cavaliere","year":"1993","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib134","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1080\/00102209308907622","article-title":"Slow-combustion of n-heptane, iso-octane and a toluene\/n-heptane mixture","volume":"90","author":"Ciajolo","year":"1993","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib135","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1016\/S0010-2180(97)00167-3","article-title":"Controlling steps in the low-temperature oxidation of n-heptane and iso-octane","volume":"112","author":"Ciajolo","year":"1998","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib136","doi-asserted-by":"crossref","first-page":"739","DOI":"10.1016\/S0082-0784(96)80282-7","article-title":"Experimental data and kinetic modelling of primary reference fuel mixtures","volume":"26","author":"Callahan","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib137","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1080\/00102209408907703","article-title":"High pressure oxidation of liquid fuel from low to high temperature. 3. n-decane","volume":"103","author":"Dagaut","year":"1994","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib138","doi-asserted-by":"crossref","unstructured":"Natelson R, Johnson R, Kurman M, Cernansky N, Miller D. Low temperature oxidation of selected jet fuel and diesel fuel components at elevated pressure. In: Proceedings of the fifth US Combustion Institute meeting, San Diego, 2007.","DOI":"10.2514\/6.2008-970"},{"key":"10.1016\/j.pecs.2007.10.002_bib139","unstructured":"Kurman M, Natelson R, Cernansky N, Miller D. Intermediate species analysis of Fischer\u2013Tropsch JP-8 surrogate components in the low and intermediate temperature reaction regime. In: Proceedings of the fifth US combustion institute meeting, San Diego, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib140","doi-asserted-by":"crossref","first-page":"701","DOI":"10.1016\/j.expthermflusci.2003.12.006","article-title":"Reference components of jet fuels: kinetic modeling and experimental results","volume":"28","author":"Agosta","year":"2004","journal-title":"Exp Therm Fluid Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib141","unstructured":"Lenhert DB, Cernansky NP, Miller DL. Oxidation of large molecular weight hydrocarbons in a pressurized flow reactor. In: Proceedings of the fourth joint meeting of the US sections, Philadelphia, 2005."},{"key":"10.1016\/j.pecs.2007.10.002_bib142","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1016\/j.combustflame.2004.02.006","article-title":"Demonstration of a free-piston rapid compression facility for the study of high temperature combustion phenomena","volume":"137","author":"Donovan","year":"2004","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib143","doi-asserted-by":"crossref","first-page":"487","DOI":"10.1080\/00102200600671898","article-title":"A rapid compression machine for chemical kinetics studies at elevated pressures and temperatures","volume":"179","author":"Mittal","year":"2007","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib144","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1016\/S0010-2180(97)00327-1","article-title":"Rapid compression machines: heat transfer and suppression of corner vortex","volume":"114","author":"Lee","year":"1998","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib145","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1016\/j.combustflame.2005.10.019","article-title":"Aerodynamics inside a rapid compression machine","volume":"145","author":"Mittal","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib146","doi-asserted-by":"crossref","first-page":"1162","DOI":"10.1016\/S0010-2180(01)00236-X","article-title":"Temperature fields during the development of combustion in a rapid compression machine","volume":"125","author":"Clarkson","year":"2001","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib147","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1139\/v60-069","article-title":"Surface effects in butane oxidation","volume":"38","author":"Cherneskey","year":"1960","journal-title":"Can J Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib148","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1016\/S0360-1285(98)00016-1","article-title":"A review of spray ignition phenomena: present status and future research","volume":"24","author":"Aggarwal","year":"1998","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib149","doi-asserted-by":"crossref","first-page":"969","DOI":"10.1016\/S0082-0784(00)80303-3","article-title":"Effects of dilution by aromatic hydrocarbons on staged ignition behavior of n-decane droplets","volume":"28","author":"Moriue","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib150","doi-asserted-by":"crossref","first-page":"1155","DOI":"10.1016\/S0017-9310(02)00397-6","article-title":"Inverse influence of initial diameter on droplet burning rate in cold and hot ambiences: a thermal action of flame in balance with heat loss","volume":"46","author":"Xu","year":"2003","journal-title":"Int J Heat Mass Transfer"},{"key":"10.1016\/j.pecs.2007.10.002_bib151","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1016\/j.proci.2006.07.068","article-title":"Significance of thr HO2+CO reaction during the combustion of CO+H2 mixtures at high pressures","volume":"31","author":"Mittal","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib152","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1016\/0009-2509(73)85093-6","article-title":"Un r\u00e9acteur continu parfaitement agit\u00e9 par jets gazeux pour l\u2019\u00e9tude cin\u00e9tique de r\u00e9action chimiques rapides","volume":"28","author":"Matras","year":"1973","journal-title":"Chem Eng Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib153","unstructured":"Buda F. M\u00e9canismes cin\u00e9tiques pour l\u2019am\u00e9lioration de la s\u00e9curit\u00e9 des proc\u00e9d\u00e9s d\u2019oxydation des hydrocarbures. PhD thesis, INPL, Nancy, 2006 \u3008http:\/\/tel.archives-ouvertes.fr\/\u3009."},{"key":"10.1016\/j.pecs.2007.10.002_bib154","unstructured":"Battin-Leclerc F, Buda F, Fairweather M, Glaude PA, Giffiths JF, Hughes KJ, et al. A numerical study of the kinetic origins of two-stage autoignition and the dependence of autoignition temperature on reactant pressure in lean alkane\u2013air mixtures. In: Proceedings of the second European combustion meeting, Louvain-la-Neuve, 2005."},{"key":"10.1016\/j.pecs.2007.10.002_bib155","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/j.combustflame.2005.06.003","article-title":"Autoignition and burning rates of fuel droplets under microgravity","volume":"143","author":"Cuoci","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib156","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1080\/00102209708935621","article-title":"Low-temperature oxidation of MTBE in a high pressure jet-stirred flow reactor","volume":"123","author":"Ciajolo","year":"1997","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib157","doi-asserted-by":"crossref","first-page":"1015","DOI":"10.1016\/j.proci.2006.07.019","article-title":"A comparison of saturated and unsaturated C4 fatty acid methyl esters in an opposed flow diffusion flame and a jet stirred reactor","volume":"31","author":"Sarathy","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib158","doi-asserted-by":"crossref","first-page":"6643","DOI":"10.1021\/jp0549576","article-title":"Decomposition and hydrocarbon growth processes in non-premixed flames","volume":"110","author":"Schwatz","year":"2006","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib159","doi-asserted-by":"crossref","first-page":"4415","DOI":"10.1021\/jp0221946","article-title":"Measurements, theory, and Modeling of OH formation in ethyl+O2 and propyl+O2 reactions","volume":"107","author":"DeSain","year":"2003","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib160","doi-asserted-by":"crossref","first-page":"3450","DOI":"10.1021\/j100323a027","article-title":"Temperature dependence of the rate constant for the reaction of neopentyl radicals with O2","volume":"92","author":"Xi","year":"1988","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib161","article-title":"Elementary reactions","volume":"vol. 35","author":"Robertson","year":"1997"},{"key":"10.1016\/j.pecs.2007.10.002_bib162","unstructured":"Glaude PA. Construction automatique et validation de mod\u00e8les cin\u00e9tiques de combustion d\u2019alcanes et d\u2019\u00e9thers. PhD thesis, INPL, Nancy, 1999."},{"key":"10.1016\/j.pecs.2007.10.002_bib163","doi-asserted-by":"crossref","first-page":"1615","DOI":"10.1039\/f19827801615","article-title":"Arrhenius parameters of elementary reactions involved in the oxidation of neopentane","volume":"78","author":"Baldwin","year":"1982","journal-title":"J Chem Soc Faraday Trans I"},{"key":"10.1016\/j.pecs.2007.10.002_bib164","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1016\/S0082-0784(06)80079-2","article-title":"Direct measurements of the neo-pentyl peroxy-hydroperoxy radical isomerization over the temperature range 660\u2013750K","volume":"24","author":"Hughes","year":"1992","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib165","doi-asserted-by":"crossref","first-page":"2303","DOI":"10.1039\/a803344g","article-title":"Self abstraction in aliphatic hydroperoxyl radicals","volume":"94","author":"Chan","year":"1998","journal-title":"J Chem Soc Faraday Trans"},{"key":"10.1016\/j.pecs.2007.10.002_bib166","unstructured":"Bozzelli JW, Ritter ER. Chemical and physical processes in combustion, vol. 103. Pittsburg, PA: The Combustion Institute; 1993. p. 459."},{"key":"10.1016\/j.pecs.2007.10.002_bib167","doi-asserted-by":"crossref","first-page":"1805","DOI":"10.1016\/0960-1686(92)90423-I","article-title":"Organic peroxy radicals: kinetics, spectroscopy and tropospheric chemistry","volume":"26","author":"Lightfoot","year":"1992","journal-title":"Atmos Envir A"},{"key":"10.1016\/j.pecs.2007.10.002_bib168","doi-asserted-by":"crossref","first-page":"3715","DOI":"10.1039\/a901134j","article-title":"Dissociative ring-closure in aliphatic hydroperoxy radicals","volume":"1","author":"Chan","year":"1999","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib169","doi-asserted-by":"crossref","first-page":"4997","DOI":"10.1021\/jp993111x","article-title":"Kinetic analysis for HO2 addition to ethylene, propene, and isobutene, and thermochemical parameters of alkyl hydroperoxides and hydroperoxide alkyl radicals","volume":"104","author":"Chen","year":"2000","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib170","doi-asserted-by":"crossref","first-page":"1445","DOI":"10.1039\/f29868201445","article-title":"Relative rate study of the addition of HO2 radicals to C2H4 and C3H6","volume":"81","author":"Baldwin","year":"1986","journal-title":"Chem Soc Faraday Trans 2"},{"key":"10.1016\/j.pecs.2007.10.002_bib171","doi-asserted-by":"crossref","first-page":"523","DOI":"10.1063\/1.555623","article-title":"compilation of kinetic parameters for the thermal degradation of n-alkanes molecules","volume":"3","author":"Allara","year":"1980","journal-title":"J Phys Chem Ref Data"},{"key":"10.1016\/j.pecs.2007.10.002_bib172","doi-asserted-by":"crossref","first-page":"637","DOI":"10.1016\/S0082-0784(06)80078-0","article-title":"The pyrolysis of organic hydroperoxides (ROOH)","volume":"24","author":"Sahetchian","year":"1992","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib173","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.1071\/CH9681535","article-title":"The thermal decomposition of t-butyl ethyl ether","volume":"21","author":"Daly","year":"1968","journal-title":"Aust J Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib174","doi-asserted-by":"crossref","first-page":"3727","DOI":"10.1021\/jp067413s","article-title":"Enthalpies of formation, bond dissociation energies and reaction paths for the decomposition of model biofuels: ethyl propanoate and methyl butanoate","volume":"111","author":"El-Nahas","year":"2007","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib175","doi-asserted-by":"crossref","first-page":"12771","DOI":"10.1021\/jp953748q","article-title":"Current state of transition-state theory","volume":"100","author":"Truhlar","year":"1996","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib176","series-title":"Essentials of computational chemistry\u2014theory and models","author":"Cramer","year":"2004"},{"key":"10.1016\/j.pecs.2007.10.002_bib177","doi-asserted-by":"crossref","first-page":"4055","DOI":"10.1039\/b705390h","article-title":"Ab initio methods for reactive potential surfaces","volume":"9","author":"Harding","year":"2007","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib178","doi-asserted-by":"crossref","first-page":"4518","DOI":"10.1021\/cr050205w","article-title":"Modelling the kinetics of bimolecular reactions","volume":"106","author":"Fern\u00e1ndo-Ramos","year":"2006","journal-title":"Chem Rev"},{"key":"10.1016\/j.pecs.2007.10.002_bib179","doi-asserted-by":"crossref","first-page":"10528","DOI":"10.1021\/jp062693x","article-title":"Master equation methods in gas phase chemicel kinetics","volume":"110","author":"Miller","year":"2006","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib180","doi-asserted-by":"crossref","first-page":"2567","DOI":"10.1016\/j.fuel.2006.04.014","article-title":"Addition of an azeotropic ETBE\/ethanol mixture in eurosuper-type gasolines","author":"Weber de Menezes","year":"2006","journal-title":"Fuel"},{"key":"10.1016\/j.pecs.2007.10.002_bib181","doi-asserted-by":"crossref","first-page":"819","DOI":"10.1016\/S0082-0784(81)80085-9","article-title":"Elementary reactions in the oxidation of alkenes","volume":"18","author":"Balwin","year":"1980","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib182","doi-asserted-by":"crossref","first-page":"1445","DOI":"10.1039\/f29868201445","article-title":"Relative rate study of addition of HO2 radicals to C2H4 and C3H6","volume":"82","author":"Balwin","year":"1986","journal-title":"J Chem Soc Faraday Trans"},{"issue":"15","key":"10.1016\/j.pecs.2007.10.002_bib183","doi-asserted-by":"crossref","first-page":"2361","DOI":"10.1039\/FT9918702361","article-title":"Oxidation of allyl radicals: kinetic parameters for the reactions of allyl radicals with HO2 and O2 between 400 and 480\u00b0C","volume":"87","author":"Lodhi","year":"1991","journal-title":"J Chem Soc Faraday Trans"},{"issue":"18","key":"10.1016\/j.pecs.2007.10.002_bib184","doi-asserted-by":"crossref","first-page":"2621","DOI":"10.1039\/ft9928802621","article-title":"Oxidation chemistry of propene in the autoignition region: Arrhenius parameters for the allyl+O2 reactions pathways and kinetic data for initiation reactions","volume":"88","author":"Stothard","year":"1992","journal-title":"J Chem Soc Faraday Trans"},{"key":"10.1016\/j.pecs.2007.10.002_bib185","doi-asserted-by":"crossref","first-page":"767","DOI":"10.1016\/S0082-0784(06)80709-5","article-title":"Kinetic parameters for the initiation reaction RH+O2\u2192R+HO2","volume":"25","author":"Ingham","year":"1994","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib186","doi-asserted-by":"crossref","first-page":"1073","DOI":"10.1016\/j.proci.2004.07.004","article-title":"Modeling of the oxidation of large alkenes at low temperature","volume":"30","author":"Touchard","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib187","doi-asserted-by":"crossref","first-page":"8932","DOI":"10.1021\/jp982923a","article-title":"Thermochemistry and kinetics of the reaction of 1-methylallyl radicals with molecular oxygen","volume":"102","author":"Knyazev","year":"1998","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib188","doi-asserted-by":"crossref","unstructured":"Leppard WR. The chemical origin of fuel octane sensitivity. SAE 902137, 1990.","DOI":"10.4271\/902137"},{"key":"10.1016\/j.pecs.2007.10.002_bib189","doi-asserted-by":"crossref","first-page":"8296","DOI":"10.1021\/jp972054+","article-title":"Epoxidation of alkenes by peroxyl radicals in the gas phase: structure\u2013activity relationships","volume":"101","author":"Stark","year":"1997","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib190","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1002\/kin.550270205","article-title":"Oxidation of propene in the gas phase","volume":"27","author":"Stark","year":"1995","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib191","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/0010-2180(89)90034-5","article-title":"Propene oxidation at low and intermediate temperatures: a detailed chemical kinetic study","volume":"77","author":"Wilk","year":"1989","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib192","doi-asserted-by":"crossref","first-page":"1780","DOI":"10.1016\/S0010-2180(01)00288-7","article-title":"Comprehensive mechanism for the gas-phase oxidation of propene","volume":"126","author":"Heyberger","year":"2001","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib193","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1080\/00102208708952567","article-title":"An experimental study of propene oxidation at low and intermediate temperatures","volume":"52","author":"Wilk","year":"1987","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib194","doi-asserted-by":"crossref","unstructured":"Pitz WJ, Westbrook CK, Leppard WR. Autoignition chemistry of C4 olefins under motored engine conditions: a comparison of experimental and modeling results. SAE paper 912315, 1991.","DOI":"10.4271\/912315"},{"key":"10.1016\/j.pecs.2007.10.002_bib195","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1080\/00102209808952053","article-title":"Isobutene oxidation and ignition: experimental and detailed kinetic modelling study","volume":"137","author":"Dagaut","year":"1998","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib196","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1002\/(SICI)1097-4601(1998)30:9<629::AID-KIN4>3.0.CO;2-U","article-title":"Experimental and modelling study of oxidation of isobutene","volume":"30","author":"Baug\u00e9","year":"1998","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib197","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1016\/S0010-2180(98)00151-5","article-title":"The chemisty of pre-ignition of n-pentane and 1-pentene","volume":"118","author":"Minetti","year":"1999","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib198","doi-asserted-by":"crossref","first-page":"377","DOI":"10.1016\/0010-2180(95)00134-4","article-title":"1-pentene oxidation and its interaction with nitric oxide in the low and negative temperature coefficient regions","volume":"104","author":"Prabhu","year":"1996","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib199","doi-asserted-by":"crossref","first-page":"1065","DOI":"10.1016\/j.proci.2004.08.042","article-title":"On the influence of the position of the double bond on the low-temperature chemistry of hexenes","volume":"30","author":"Vanhove","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib200","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/j.combustflame.2006.07.011","article-title":"Kinetics of 1-hexene oxidation in a JSR and a shock tube: experimental and modeling study","volume":"147","author":"Yahyaoui","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib201","series-title":"Proceedings of the 29th combustion meeting","article-title":"A wide range kinetic modeling study of alkene oxidation","author":"Mehl","year":"2006"},{"key":"10.1016\/j.pecs.2007.10.002_bib202","doi-asserted-by":"crossref","first-page":"2391","DOI":"10.1021\/ef060339s","article-title":"Detailed chemistry promotes understanding of octane numbers and gasoline sensitivity","volume":"20","author":"Mehl","year":"2006","journal-title":"Energy Fuels"},{"key":"10.1016\/j.pecs.2007.10.002_bib203","unstructured":"Touchard S. Construction et validation de mod\u00e8les cin\u00e9tiques d\u00e9taill\u00e9s pour la combustion de m\u00e9langes mod\u00e8les des essences. PhD thesis, INPL, Nancy, 2005 \u3008http:\/\/tel.archives-ouvertes.fr\/\u3009."},{"key":"10.1016\/j.pecs.2007.10.002_bib204","unstructured":"Heyberger B. M\u00e9canismes de combustion d\u2019alcanes, d\u2019alc\u00e8nes et de cyclanes. PhD thesis, INPL, INPL, Nancy, 2002."},{"key":"10.1016\/j.pecs.2007.10.002_bib205","doi-asserted-by":"crossref","first-page":"666","DOI":"10.1002\/kin.10092","article-title":"Oxidation of small alkenes at high temperature","volume":"34","author":"Heyberger","year":"2002","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib206","doi-asserted-by":"crossref","first-page":"2072","DOI":"10.1039\/b110563a","article-title":"Development of kinetic models for the formation and degradation of unsaturated hydrocarbons at high temperature","volume":"2","author":"Battin-Leclerc","year":"2002","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib207","doi-asserted-by":"crossref","first-page":"1137","DOI":"10.1016\/j.proci.2004.08.070","article-title":"Experimental and modelling study of 1-hexene oxidation behind reflected shock waves","volume":"30","author":"Yahyaoui","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib208","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1002\/kin.20096","article-title":"Experimental and modeling study of the oxidation of 1-pentene at high temperature","volume":"37","author":"Touchard","year":"2005","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib209","series-title":"Energetics of organic free radicals","article-title":"Heat of formation of organic radicals by kinetic methods","author":"Tsang","year":"1996"},{"key":"10.1016\/j.pecs.2007.10.002_bib210","series-title":"Handbook of bond dissociation energies in organic compounds","author":"Luo","year":"2003"},{"key":"10.1016\/j.pecs.2007.10.002_bib211","series-title":"Handbook of antioxidants","author":"Denisov","year":"2000"},{"key":"10.1016\/j.pecs.2007.10.002_bib212","doi-asserted-by":"crossref","first-page":"933","DOI":"10.1002\/bbpc.19790830912","article-title":"Die reaktion von OH-radikalen mit propen: I. bestimmung der prim\u00e4rprodukte bei niedrigen druecken","volume":"83","author":"Hoyermann","year":"1979","journal-title":"Ber Bunsenges Phys Chem"},{"issue":"2","key":"10.1016\/j.pecs.2007.10.002_bib213","doi-asserted-by":"crossref","first-page":"1323","DOI":"10.1039\/f29827801323","article-title":"Direct determination of the equilibrium constant and thermodynamic parameters for the reaction C3H5+O2\u21cbC3H5O2","volume":"78","author":"Morgan","year":"1982","journal-title":"J Chem Soc Faraday Trans"},{"key":"10.1016\/j.pecs.2007.10.002_bib214","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1002\/kin.550200804","article-title":"H2S-promoted thermal isomerization of cis-2-pentene to 1-pentene and trans-2-pentene around 800K","volume":"20","author":"Perrin","year":"1988","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib215","doi-asserted-by":"crossref","first-page":"3016","DOI":"10.1021\/j100370a052","article-title":"Rates of reaction of hydroxyalkyl radicals with molecular oxygen","volume":"94","author":"Miyoshi","year":"1990","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib216","doi-asserted-by":"crossref","first-page":"623","DOI":"10.1002\/1097-4601(198606)18:6<623::AID-KIN550180603>3.0.CO;2-7","article-title":"Mutual isomerization of cyclopentyl and 1-penten-5-y1 radicals","volume":"18","author":"Gierczak","year":"1986","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib217","series-title":"Thermochemical data of organic compounds","author":"Pedley","year":"1986"},{"key":"10.1016\/j.pecs.2007.10.002_bib218","doi-asserted-by":"crossref","first-page":"1931","DOI":"10.1016\/j.enpol.2006.06.007","article-title":"A crash programme scenario for the Canadian oil sands industry","volume":"35","author":"S\u00f6derbergh","year":"2007","journal-title":"Energy policy"},{"key":"10.1016\/j.pecs.2007.10.002_bib219","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1021\/ef00006a015","article-title":"Hydrogenation and extraction of aromatics from oil sans distillates and effects on cetane improvements","volume":"1","author":"Wilson","year":"1987","journal-title":"Energy Fuels"},{"issue":"11","key":"10.1016\/j.pecs.2007.10.002_bib220","doi-asserted-by":"crossref","first-page":"1799","DOI":"10.1039\/F29898501799","article-title":"Addition of cyclohexane to slowly reacting H2\u2013O2 mixtures at 480\u00b0C","volume":"85","author":"Gulati","year":"1989","journal-title":"J Chem Soc Faraday Trans 2"},{"key":"10.1016\/j.pecs.2007.10.002_bib221","doi-asserted-by":"crossref","first-page":"1431","DOI":"10.1039\/ft9959101431","article-title":"Addition of cyclopentane to slowly reacting mixtures of H2+O2 between 673 and 783K: reactions of H and OH with cyclopentane and of cyclopentyl radicals","volume":"91","author":"Handford-Styring","year":"1995","journal-title":"J Chem Soc Faraday Trans 2"},{"key":"10.1016\/j.pecs.2007.10.002_bib222","doi-asserted-by":"crossref","first-page":"1929","DOI":"10.1051\/jcp\/1993901929","article-title":"Etude de l\u2019oxydation homog\u00e8ne du cyclohexane en phase gazeuse. I. Etude exp\u00e9rimentale","volume":"90","author":"Kla\u00ef","year":"1993","journal-title":"J Chim Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib223","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1051\/jcp\/1993901951","article-title":"Etude de l\u2019oxydation homog\u00e8ne du cyclohexane en phase gazeuse. II. M\u00e9canisme r\u00e9actionnel et mod\u00e9lisation","volume":"90","author":"Kla\u00ef","year":"1993","journal-title":"J Chim Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib224","doi-asserted-by":"crossref","first-page":"3761","DOI":"10.1021\/jp067592d","article-title":"Detailed chemical kinetic modeling of cyclohexane oxidation","volume":"111","author":"Silke","year":"2007","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib225","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/j.proci.2006.08.041","article-title":"Modeling and experimental investigation of methylcyclohexane ignition in a rapid compression machine","volume":"31","author":"Pitz","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib226","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1016\/S0010-2180(02)00465-0","article-title":"A wide range kinetic modeling study of the pyrolysis and combustion of naphthenes","volume":"132","author":"Granata","year":"2003","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib227","first-page":"201","article-title":"Ab initio evaluation of primary cyclo-hexane oxidation reactions rates","volume":"31","author":"Cavalotti","year":"2007","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib228","doi-asserted-by":"crossref","first-page":"1450","DOI":"10.1021\/ef060090e","article-title":"Modeling of the gas-phase oxidation of cyclohexane","volume":"20","author":"Buda","year":"2006","journal-title":"Energy Fuels"},{"key":"10.1016\/j.pecs.2007.10.002_bib229","doi-asserted-by":"crossref","first-page":"1971","DOI":"10.1016\/S0010-2180(01)00301-7","article-title":"The production of benzene in the low-temperature oxidation of cyclohexane, cyclohexene, and cyclohexa-1,3-diene","volume":"127","author":"Lemaire","year":"2001","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib230","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1080\/00102209808952066","article-title":"Experimental and kinetic modelling study of cyclohexane oxidation in a JSR at high pressure","volume":"138","author":"Voisin","year":"1998","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib231","doi-asserted-by":"crossref","first-page":"2079","DOI":"10.1039\/b110787a","article-title":"On the kinetics of hydrocarbons oxidation from natural gas to kerosene and diesel fuel","volume":"4","author":"Dagaut","year":"2002","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib232","unstructured":"Vasu SS, Parikh NN, Davidson DF, Hanson RK. Methylcyclohexane oxidation: shock tube experiments and modeling over a wide range of pressures and temperatures. In: Proceedings of the fifth US Combustion Institute meeting, San Diego, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib233","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1016\/S0010-2180(96)00125-3","article-title":"Pyrolysis studies of methylcyclohexane and oxidation studies of methylcyclohexane and methylcyclohexane\/toluene blends","volume":"108","author":"Zeppieri","year":"1997","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib234","doi-asserted-by":"crossref","first-page":"1687","DOI":"10.1016\/S0082-0784(00)80568-8","article-title":"Shock tube measurements of JP-10 ignition","volume":"28","author":"Davidson","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib235","doi-asserted-by":"crossref","first-page":"2043","DOI":"10.1039\/b101314i","article-title":"Arrhenius parameters for the HO2+cyclohexane between 673 and 773K, and for H atom in cyclohexylperoxy radicals","volume":"3","author":"Handford-Styring","year":"2001","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib236","doi-asserted-by":"crossref","first-page":"2264","DOI":"10.1021\/jp0451142","article-title":"Detailed modelling of the reaction of C2H5+O2","volume":"109","author":"Carstensen","year":"2005","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib237","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0360-1285(86)90011-0","article-title":"The high temperature oxidation of aromatic hydrocarbons","volume":"12","author":"Brezinsky","year":"1986","journal-title":"Prog Energy Combust Sci"},{"key":"10.1016\/j.pecs.2007.10.002_bib238","doi-asserted-by":"crossref","first-page":"1684","DOI":"10.1021\/j100206a040","article-title":"Rates of reactions of O(3P) with benzene and toluene","volume":"86","author":"Nicovich","year":"1982","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib239","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1002\/kin.550090202","article-title":"The very low-pressure pyrolysis of phenyl ethyl ether, phenyl allyl ether, and benzyl methyl ether and the enthalpy of formation of the phenoxy radical","volume":"9","author":"Colussi","year":"1977","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib240","doi-asserted-by":"crossref","first-page":"1063","DOI":"10.1016\/S0082-0784(89)80116-X","article-title":"Benzene oxidation perturbed by NO2 addition","volume":"22","author":"Lovell","year":"1988","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib241","doi-asserted-by":"crossref","first-page":"2534:51","DOI":"10.1021\/j150656a021","article-title":"Reactions of hydrogen atom with benzene and toluene: kinetics and mechanism","volume":"88","author":"Nicovich","year":"1984","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib242","doi-asserted-by":"crossref","first-page":"1053","DOI":"10.1002\/kin.550160902","article-title":"The high temperature oxidation of the methyl side chain toluene","volume":"16","author":"Brezinsky","year":"1984","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib243","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/S0010-2180(02)00439-X","article-title":"Addition of toluene and ethylbenzene to mixture of H2 and O2 at 773K","volume":"132","author":"Ellis","year":"2003","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib244","doi-asserted-by":"crossref","first-page":"561","DOI":"10.1016\/S0010-2180(00)00174-7","article-title":"High pressure auto-ignition and oxidation mechanisms of o-xylene, o-ethyltoluene, and n-butylbenzene between 600 and 900K","volume":"123","author":"Roubaud","year":"2000","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib245","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1016\/S0010-2180(96)00054-5","article-title":"Analysis of fuel decay routes in the high-temperature oxidation of 1-methylnaphthalene","volume":"108","author":"Shaddix","year":"1997","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib246","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1080\/00102209108951757","article-title":"Detailed mechanism for oxidation of benzene","volume":"79","author":"Bittker","year":"1991","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib247","doi-asserted-by":"crossref","first-page":"2151","DOI":"10.1021\/j100184a025","article-title":"A kinetic model for the oxidation of toluene near 1200K","volume":"96","author":"Emdee","year":"1992","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib248","doi-asserted-by":"crossref","first-page":"551","DOI":"10.1016\/0010-2180(94)90048-5","article-title":"Detailed kinetic modelling of premixed benzene flame","volume":"99","author":"Lindstedt","year":"1994","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib249","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1080\/00102209508907808","article-title":"Elementary reaction modelling of high-temperature benzene combustion","volume":"107","author":"Zhang","year":"1995","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib250","doi-asserted-by":"crossref","first-page":"677","DOI":"10.1016\/S0082-0784(96)80275-X","article-title":"A detailed comprehensive kinetic model for benzene oxidation using the recent kinetic results","volume":"26","author":"Tan","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib251","doi-asserted-by":"crossref","first-page":"711","DOI":"10.1016\/S0082-0784(96)80279-7","article-title":"Destruction of benzene in high-temperature flames: chemistry of benzene and phenol","volume":"26","author":"Shandross","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib252","doi-asserted-by":"crossref","first-page":"2609","DOI":"10.1016\/S0082-0784(00)80679-7","article-title":"Formation of polycyclic aromatic hydrocarbons and their radicals in a nearly sooting premixed benzene flame","volume":"28","author":"Richter","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib253","doi-asserted-by":"crossref","first-page":"1105","DOI":"10.1016\/S0082-0784(81)80115-4","article-title":"Composition profiles and reaction mechanisms in a near-sooting premixed benzene\/oxygen\/argon flame","volume":"18","author":"Bittner","year":"1983","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib254","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1002\/1097-4601(2000)32:8<498::AID-KIN8>3.0.CO;2-H","article-title":"Experimental and kinetic modeling study of the oxidation of benzene","volume":"32","author":"Alzueta","year":"2000","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib255","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1080\/00102200108952183","article-title":"Benzene oxidation: experimental results in a JSR and comprehensive kinetic modeling in JSR, shock-tube and flame","volume":"167","author":"Ristori","year":"2001","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib256","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1002\/kin.10148","article-title":"Experimental and modeling study of the oxidation of benzene","volume":"35","author":"Da Costa","year":"2003","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib257","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1016\/j.combustflame.2004.12.005","article-title":"The oxidation of benzene under conditions encountered in waste incinerators","volume":"140","author":"Sch\u00f6bel-Ostertag","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib258","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1080\/00102209608935571","article-title":"Detailed kinetic modelling of toluene combustion","volume":"120","author":"Lindstedt","year":"1996","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib259","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1016\/S0082-0784(98)80421-9","article-title":"Modeling the combustion of toluene\u2013butane blends","volume":"27","author":"Klotz","year":"1998","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib260","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1016\/j.combustflame.2004.09.006","article-title":"High-pressure, high-temperature oxidation of toluene","volume":"139","author":"Sivaramakrishnan","year":"2004","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib261","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.combustflame.2006.12.014","article-title":"Autoignition of toluene reference fuels at high pressures modeled with detailed chemical kinetics","volume":"149","author":"Andrae","year":"2007","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib262","unstructured":"Chaos M, Zhao Z, Kazakov A, Gokulakrisnan P, Angioletti M, Dryer FL. A PRF+toluene surrogate fuel model for simulating gasoline kinetics. In: Proceedings of the fifth US Combustion Institute meeting, San Diego, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib263","unstructured":"Djurisic ZM, Joshi AV, Wang H. Detailled kinetic modelling of benzene and toluene combustion. In: Proceedings of the second joint meeting of the US sections of the Combustion Institute, Oakland, 2001."},{"key":"10.1016\/j.pecs.2007.10.002_bib264","unstructured":"Pitz WJ, Seiser R, Bozzelli JW, Da Costa I, Fournet R, Billaud F, et al. Chemical characterisation of combustion of toluene. In: Proceedings of the second joint meeting of the US sections of the Combustion Institute, Oakland, 2001."},{"key":"10.1016\/j.pecs.2007.10.002_bib265","doi-asserted-by":"crossref","first-page":"1846","DOI":"10.1039\/b110282f","article-title":"Oxidation, ignition and combustion of toluene: experimental and detailed chemical kinetic modelling","volume":"4","author":"Dagaut","year":"2002","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib266","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1002\/kin.20047","article-title":"Experimental and modeling study of the oxidation of toluene","volume":"37","author":"Bounaceur","year":"2005","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib267","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1016\/j.combustflame.2004.12.020","article-title":"Experimental kinetic study of the oxidation of p-xylene in a JSR and comprehensive detailed chemical kinetic modelling","volume":"141","author":"Ga\u00efl","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib268","doi-asserted-by":"crossref","first-page":"813","DOI":"10.1080\/00102200600671989","article-title":"Oxidation of m-xylene in a JSR experimental study and detailed chemical kinetic modelling","volume":"179","author":"Ga\u00efl","year":"2007","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib269","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1016\/S0016-2361(01)00139-9","article-title":"Experimental and modeling study of the oxidation of n-propyl benzene","volume":"81","author":"Dagaut","year":"2002","journal-title":"Fuel"},{"key":"10.1016\/j.pecs.2007.10.002_bib270","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1002\/kin.20160","article-title":"Experimental and modeling study of the oxidation of xylenes","volume":"38","author":"Battin-Leclerc","year":"2006","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib271","doi-asserted-by":"crossref","first-page":"1626","DOI":"10.1021\/j100157a024","article-title":"High-temperature oxidation mechanisms of m- and p-xylene","volume":"95","author":"Emdee","year":"1991","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib272","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/S0082-0784(06)80244-4","article-title":"Oxidation of o-xylene","volume":"23","author":"Emdee","year":"1990","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib273","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1016\/S0082-0784(00)80570-6","article-title":"The low-temperature autoignition of alkylaromatics: esperimental study and modelling of the oxidation of n-butylbenzene","volume":"28","author":"Ribaucour","year":"2000","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib274","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1016\/S0082-0784(96)80280-3","article-title":"Detailed kinetic reaction mechanism for ignition and oxidation of \u03b1-methylnaphthalene","volume":"26","author":"Pitsch","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib275","doi-asserted-by":"crossref","first-page":"355","DOI":"10.1016\/j.combustflame.2007.04.014","article-title":"Autoignition of toluene and benzene at elevated pressures in a rapid compression machine","volume":"150","author":"Mittal","year":"2007","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib276","doi-asserted-by":"crossref","first-page":"313","DOI":"10.1016\/S0016-2361(97)00192-0","article-title":"An experimental study of benzene oxidation at fuel-lean and stoichiometric equivalence ratio conditions","volume":"77","author":"Chai","year":"1998","journal-title":"Fuel"},{"key":"10.1016\/j.pecs.2007.10.002_bib277","doi-asserted-by":"crossref","first-page":"535","DOI":"10.1016\/S0010-2180(99)00169-8","article-title":"Oxidation and combustion of low alkyl benzenes at high pressure: comparative reactivity and auto-ignition","volume":"121","author":"Roubaud","year":"2000","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib278","unstructured":"Marchal A. Etude de la contribution des familles chimiques constitutives des gazoles \u00e0 la formation de polluants non r\u00e9glement\u00e9s. PhD thesis, Universit\u00e9 d\u2019Orl\u00e9ans, 1997."},{"key":"10.1016\/j.pecs.2007.10.002_bib279","unstructured":"Gail S, Dagaut P. Meta and para-xylene oxidation: experimental results in a JSR, comprehensive kinetic modeling. In: Proceedings of the second European combustion meeting, Louvain-la-Neuve, 2005."},{"key":"10.1016\/j.pecs.2007.10.002_bib280","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1016\/0010-2180(86)90125-2","article-title":"The oxidation of ethyl benzene near 1060K","volume":"63","author":"Litzinger","year":"1986","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib281","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1080\/00102208608923928","article-title":"Reactions of n-propyl benzene during gas phase oxidation","volume":"50","author":"Litzinger","year":"1986","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib282","unstructured":"Crochet M, Vanhove G, Minetti R, Ribaucour M. An experimental and modelling study of the low-temperature autoignition of n-butylbenzene in lean conditions. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib283","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1016\/S0082-0784(88)80315-1","article-title":"High temperature oxidation of n-alkylbenzenes","volume":"21","author":"Brezinsky","year":"1986","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib284","doi-asserted-by":"crossref","unstructured":"Shaddix CR, Brezinsky K, Glassman I. Oxydation of 1-methylnaphthalene. Proc Combust Inst; 24,683:90.","DOI":"10.1016\/S0082-0784(06)80084-6"},{"key":"10.1016\/j.pecs.2007.10.002_bib285","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1021\/ef000146j","article-title":"Kinetic effect of dimethoxymethane on the oxidation of indane","volume":"15","author":"Dagaut","year":"2001","journal-title":"Energy Fuel"},{"key":"10.1016\/j.pecs.2007.10.002_bib286","unstructured":"Bounaceur R, Battin-Leclerc F. Previously unpublished data, 2004."},{"key":"10.1016\/j.pecs.2007.10.002_bib287","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1002\/(SICI)1097-4601(1998)30:9<683::AID-KIN9>3.0.CO;2-O","article-title":"Parabenzoquinone pyrolysis and oxidation in a flow reactor","volume":"30","author":"Alzueta","year":"1998","journal-title":"Int J Chem Kin"},{"key":"10.1016\/j.pecs.2007.10.002_bib288","doi-asserted-by":"crossref","first-page":"841","DOI":"10.1016\/S0082-0784(06)80718-6","article-title":"Reaction of phenoxy radicals in the gas phase","volume":"25","author":"Buth","year":"1994","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib289","unstructured":"Skokov S, Kazakov A, Dryer FL. A theoretical study of oxidation of phenoxy and benzyl radicals by HO2. In: Proceedings of the 4th US combustion institute meeting, Philadelphia, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib290","first-page":"1598","article-title":"OH-initiated oxidation of benzene. Part II. Phenol formation under atmospheric conditions","volume":"4","author":"Volamer","year":"2002","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.pecs.2007.10.002_bib291","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1016\/S0082-0784(06)80717-4","article-title":"High-temperature reactions of phenyl oxidation","volume":"25","author":"Frank","year":"1994","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib292","doi-asserted-by":"crossref","first-page":"9571","DOI":"10.1021\/ja00100a022","article-title":"Kinetics of the C6H5+O2 reaction at low temeratures","volume":"116","author":"Yu","year":"1994","journal-title":"J Am Chem Soc"},{"key":"10.1016\/j.pecs.2007.10.002_bib293","unstructured":"Bozzelli J, Sebbar N, Pitz W, Bochhorn H. Reaction of phenyl radical with O2: thermodynamic properties, important reaction paths and kinetics. In: Proceedings of the second joint meeting of the US sections of the Combustion Institute, Oakland, 2001."},{"key":"10.1016\/j.pecs.2007.10.002_bib294","unstructured":"Sebbar N, Bozzelli J, Bochhorn H. The phenyl+O2 reaction: thermodynamics and kinetics. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib295","unstructured":"Sirjean B, Ruiz-Lopez MF, Glaude PA, Battin-Leclerc F, Fournet R. Theorical study of the thermal decomposition mechanism of phenylperoxy radical. In: Proceedings of the second European combustion meeting, Louvain-la-Neuve, 2005."},{"key":"10.1016\/j.pecs.2007.10.002_bib296","doi-asserted-by":"crossref","first-page":"6114","DOI":"10.1021\/jp051712k","article-title":"The reaction of phenyl radical with molecular oxygen: a G2M study of the potential energy surface","volume":"109","author":"Tokmakov","year":"2005","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib297","series-title":"Gaussian03, revision B05","author":"Frisch","year":"2004"},{"key":"10.1016\/j.pecs.2007.10.002_bib298","doi-asserted-by":"crossref","first-page":"2725","DOI":"10.1039\/a804131h","article-title":"Theoretical study of benzyl radical reactivity in combustion systems","volume":"94","author":"Davis","year":"1998","journal-title":"J Chem Soc Faraday Trans"},{"key":"10.1016\/j.pecs.2007.10.002_bib299","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1016\/S0082-0784(06)80239-0","article-title":"Shock tube UV absorption of the oxidation of benzyl radicals","volume":"23","author":"Hippler","year":"1990","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib300","doi-asserted-by":"crossref","first-page":"4899","DOI":"10.1021\/j100328a020","article-title":"Thermal decomposition of benzyl iodide and benzyl radicals in shock waves","volume":"92","author":"M\u00fcller-Markgraf","year":"1988","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib301","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/j.combustflame.2006.12.015","article-title":"Shock-tube study of the autoignition of n-heptane\/toluene\/air mixtures at intermediate temperatures and high pressures","volume":"149","author":"Herzler","year":"2007","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib302","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1016\/0010-2180(94)00225-H","article-title":"Stimulation of diesel-fuel ignition by benzyl radicals","volume":"101","author":"Clothier","year":"1995","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib303","doi-asserted-by":"crossref","first-page":"171:89","DOI":"10.1002\/kin.550260117","article-title":"Study of the kinetics and equilibrium of the benzyl-radical association reaction with molecular oxygen","volume":"26","author":"Fenter","year":"1994","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib304","doi-asserted-by":"crossref","first-page":"3537","DOI":"10.1021\/jp9804446","article-title":"Thermochemical and kinetic analysis of the H, OH, HO2, O, and O2 association reactions with cyclopentadienyl radical","volume":"102","author":"Zhong","year":"1998","journal-title":"J Phys Chem A"},{"key":"10.1016\/j.pecs.2007.10.002_bib305","doi-asserted-by":"crossref","first-page":"1039","DOI":"10.1016\/j.proci.2004.07.007","article-title":"Decomposition and ring expansion in methylcyclopentadiene: single-pulse shock tube and modelling study","volume":"30","author":"Lifshitz","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib306","doi-asserted-by":"crossref","first-page":"685","DOI":"10.1016\/S0082-0784(96)80276-1","article-title":"Reaction mechanisms in aromatic hydrocarbon formation involving the C5H5 cyclopentadienyl moiety","volume":"26","author":"Melius","year":"1996","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib307","doi-asserted-by":"crossref","first-page":"192","DOI":"10.1016\/S0010-2180(97)00275-7","article-title":"Aromatic and polycyclic aromatic hydrocarbon formation in a laminar premixed n-butane flame","volume":"114","author":"Marinov","year":"1998","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib308","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1016\/S0010-2180(00)00223-6","article-title":"Dimerization of cyclopentadienyl radical to produce naphthalene","volume":"124","author":"Filley","year":"2001","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib309","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1080\/00102200215080","article-title":"Experimental formulation and kinetic model for JP-8 surrogate mixtures","volume":"174","author":"Violi","year":"2002","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib310","doi-asserted-by":"crossref","first-page":"1024","DOI":"10.1021\/ef060028h","article-title":"A wide-range modelling study of oxidation and combustion of transportation fuels and surrogate mixtures","volume":"20","author":"Ranzi","year":"2006","journal-title":"Energy Fuels"},{"key":"10.1016\/j.pecs.2007.10.002_bib311","doi-asserted-by":"crossref","unstructured":"Pitz WJ, Cernansky NP, Dryer FL, Egolfopoulos FN, Farrell JT, Friend DG, Pitsch H. Development of an experimental database and chemical kinetic models for surrogate gasoline fuels. SAE 2007-01-0175, 2007.","DOI":"10.4271\/2007-01-0175"},{"key":"10.1016\/j.pecs.2007.10.002_bib312","doi-asserted-by":"crossref","unstructured":"Farrell JT, Cernansky NP, Dryer FL, Friend DG, Hergart CA, Law CK, et al. Development of an experimental database and chemical kinetic models for surrogate diesel fuels. SAE 2007-01-0201, 2007.","DOI":"10.4271\/2007-01-0201"},{"key":"10.1016\/j.pecs.2007.10.002_bib313","doi-asserted-by":"crossref","first-page":"893","DOI":"10.1016\/S0082-0784(89)80098-0","article-title":"A detailed chemical kinetic reaction mechanism for the oxidation of iso-octane and n-heptane over an extended temperature range and its application to analysis of engines knock","volume":"22","author":"Westbrook","year":"1988","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib314","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1016\/j.combustflame.2006.01.001","article-title":"Experimental study of the kinetic interactions in the low-temperature autoignition of hydrocarbon binary mixtures and a surrogate fuel","volume":"145","author":"Vanhove","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib315","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/S0082-0784(98)80426-8","article-title":"Oxidation of automotive primary reference fuels at elevated pressures","volume":"27","author":"Curran","year":"1998","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib316","doi-asserted-by":"crossref","unstructured":"Naik CV, Pitz WJ, Sj\u00f6berg M, Dec JE, Orme J, Curran HJ, et al. Detailed chemical kinetic modelling of a surrogate fuels for gasoline and application to an HCCI engine. In: Proceedings of the fourth joint meeting of the US sections of the Combustion Institute, Philadelphia, 2005.","DOI":"10.4271\/2005-01-3741"},{"key":"10.1016\/j.pecs.2007.10.002_bib317","doi-asserted-by":"crossref","unstructured":"Naik CV, Pitz WJ, Westbrook CK, Sj\u00f6berg M, Dec JE, Orme J, et al. Detailed chemical kinetic modelling of a surrogate fuels for gasoline and application to an HCCI engine. SAE 2005-01-3741; 2005 [mechanism provided by the authors].","DOI":"10.4271\/2005-01-3741"},{"key":"10.1016\/j.pecs.2007.10.002_bib318","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/j.combustflame.2004.11.009","article-title":"Co-oxidation in the auto-ignition of primary reference fuels and n-heptane\/toluene blends","volume":"140","author":"Andrae","year":"2005","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib319","unstructured":"Vanhove G, El Bakali A, Ribaucour M, Minetti R. Detailed thermokinetic modelling of the low-temperature autoignition of a tertiary surrogate petrol fuel. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib320","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1080\/00102209408907701","article-title":"High pressure oxidation of liquid fuel from low to high temperature. 2. Mixtures of n-heptane and iso-octane","volume":"103","author":"Dagaut","year":"1994","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib321","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1080\/00102209708935615","article-title":"the oxidation of n-heptane in the presence of oxygenated octane improvers: MTBE and ETBE","volume":"122","author":"Dagaut","year":"1997","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib322","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1080\/00102209508907785","article-title":"Chemical structure of atmospheric pressure premixed n-decane and kerosene flame","volume":"106","author":"Dout\u00e9","year":"1995","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib323","doi-asserted-by":"crossref","first-page":"1186","DOI":"10.1021\/ef020025e","article-title":"Modeling the oxidation of mixtures of primary reference automobile fuels","volume":"16","author":"Glaude","year":"2002","journal-title":"Energy Fuels"},{"key":"10.1016\/j.pecs.2007.10.002_bib324","unstructured":"Pires da Cruz A, Pera C, Anderlohr J, Bounaceur R, Battin-Leclerc F. A complex chemical kinetic mechanism for the oxidation of gasoline surrogate fuels: n-heptane, iso-octane and toluene\u2014mechanism development and validation. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib325","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1016\/j.combustflame.2005.10.007","article-title":"Experimental and modelling study of the autoignition of 1-hexene\/iso-octane mixtures at low temperatures","volume":"145","author":"Vanhove","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib326","unstructured":"Hartmann M, Fikri M, Starke R, Schulz C. Shock-tube investigation of ignition delay times of model fuels. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib327","unstructured":"Yahyaoui M. Etude cin\u00e9tique de la formation de polluants \u00e0 partir de m\u00e9langes representatifs des essences. PhD thesis, Universit\u00e9 d\u2019Orl\u00e9ans, 2005."},{"key":"10.1016\/j.pecs.2007.10.002_bib328","unstructured":"Mittal G, Sung CJ. Homogeneous charge compression ignition of binary blends relevant to gasoline surrogates. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib329","doi-asserted-by":"crossref","first-page":"385","DOI":"10.1016\/j.proci.2006.07.179","article-title":"Experimental and modelling study of gasoline surrogate mixtures oxidation in jet stirred reactor and shock tube","volume":"31","author":"Yahyaoui","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib330","doi-asserted-by":"crossref","unstructured":"Fikri M, Herzler J, Starke R, Kalghatgi GT, Roth P, Schulz C. Autoignition of gasoline surrogates mixtures at intermediate temperatures and high pressures. Combust Flame 2007, published online.","DOI":"10.1016\/j.combustflame.2006.12.015"},{"key":"10.1016\/j.pecs.2007.10.002_bib331","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/j.proci.2006.08.121","article-title":"Transforming data into knowledge\u2014process informatics for combustion chemistry","volume":"31","author":"Frenklach","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib332","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.proci.2006.08.124","article-title":"Combustion at a crossroad: status and prospects","volume":"31","author":"Law","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib333","doi-asserted-by":"crossref","first-page":"1664","DOI":"10.1021\/j100399a042","article-title":"Principal component analysis for reducing the Edelson\u2013Field\u2013Noyes model of the Belousov\u2013Zhabotinsky reaction","volume":"90","author":"Vajda","year":"1986","journal-title":"J Phys Chem"},{"key":"10.1016\/j.pecs.2007.10.002_bib334","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/j.combustflame.2005.02.015","article-title":"Linear time reduction of large kinetic mechanisms with directed relation graph: n-heptane and iso-octane","volume":"144","author":"Lu","year":"2006","journal-title":"Combust Flame"},{"key":"10.1016\/j.pecs.2007.10.002_bib335","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1002\/kin.20232","article-title":"Reduction of large detailed chemical kinetic mechanisms for autoignition using joint analyses OD reaction rate and sensitivities","volume":"39","author":"Saylam","year":"2007","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib336","unstructured":"Porter R, Fairweather M, Griffiths JF, Hughes KJ, Tomlin AS. Simulated autoignition temperature and oxidation of cyclohexane using a QSSA reduced mechanism. In: Proceedings of the third European combustion meeting, Chania, 2007."},{"key":"10.1016\/j.pecs.2007.10.002_bib337","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1002\/(SICI)1097-4601(2000)32:1<36::AID-JCK5>3.0.CO;2-0","article-title":"Automatic reduction of detailed mechanisms of combustion of alkanes by chemical lumping","volume":"32","author":"Fournet","year":"2000","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib338","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1016\/j.proci.2006.07.026","article-title":"The application of chemical reduction methods to a combustion system exhibiting complex dynamics","volume":"31","author":"Brad","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib339","doi-asserted-by":"crossref","first-page":"461","DOI":"10.1002\/kin.550260408","article-title":"The CSP method for simplifying kinetics","volume":"26","author":"Lam","year":"1994","journal-title":"Int J Chem Kinet"},{"key":"10.1016\/j.pecs.2007.10.002_bib340","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1016\/0010-2180(92)90034-M","article-title":"Simplifying chemical kinetics: intrinsic low-dimensional manifolds in composition space","volume":"88","author":"Mass","year":"1992","journal-title":"Combust Flame"},{"issue":"11\u201312","key":"10.1016\/j.pecs.2007.10.002_bib341","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1080\/713712950","article-title":"Chemical kinetic modelling of combustion in internal combustion engines using reduced chemistry","volume":"174","author":"Soyhan","year":"2002","journal-title":"Combust Sci Technol"},{"key":"10.1016\/j.pecs.2007.10.002_bib342","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1016\/j.proci.2006.07.027","article-title":"Skeletal mechanism generation and analysis for n-heptane with CSP","volume":"21","author":"Valorani","year":"2007","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib343","doi-asserted-by":"crossref","first-page":"948","DOI":"10.1016\/S0082-0784(06)80731-9","article-title":"Application of repromodeling for the reduction of combustion mechanisms","volume":"25","author":"Tur\u00e1nyi","year":"1994","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib344","doi-asserted-by":"crossref","first-page":"2649","DOI":"10.1016\/j.proci.2004.08.058","article-title":"Detailed chemistry-based auto-ignition model including low temperature phenomena applied to 3D engine calculations","volume":"30","author":"Colin","year":"2005","journal-title":"Proc Combust Inst"},{"key":"10.1016\/j.pecs.2007.10.002_bib345","unstructured":"Colin O, Pera C, Jay S. Detailed chemistry tabulation based on a FPI approach adapted and applied to 3-D internal combustion engine calculation. In: Proceedings of the third European combustion meeting, Chania, 2007."}],"container-title":["Progress in Energy and Combustion Science"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0360128507000627?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0360128507000627?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,2,27]],"date-time":"2024-02-27T09:50:31Z","timestamp":1709027431000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0360128507000627"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,8]]},"references-count":345,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2008,8]]}},"alternative-id":["S0360128507000627"],"URL":"https:\/\/doi.org\/10.1016\/j.pecs.2007.10.002","relation":{},"ISSN":["0360-1285"],"issn-type":[{"value":"0360-1285","type":"print"}],"subject":[],"published":{"date-parts":[[2008,8]]}}}