Recent Research Progress in Combustion Kinetics of Biomass-Derived Oxygenated Fuels

Xiao Liu; Chung K. Law; Bin Yang

doi:10.1016/j.eng.2025.10.012

Engineering ›› DOI: 10.1016/j.eng.2025.10.012

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Recent Research Progress in Combustion Kinetics of Biomass-Derived Oxygenated Fuels

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Abstract

Biofuels are promising alternatives to fossil fuels due to diminishing reserves and increasing environmental concerns. This review focuses on recent progress in understanding the combustion kinetics of oxygenated biofuels derived from biomass. The review begins with fundamental concepts and research methodologies in reaction kinetics, intended as a primer for engineering researchers. Subsequently, kinetic studies from the past decade on typical oxygenated biofuels are summarized, including alcohols, fatty acid methyl esters (FAMEs), ketones, ethers, and carbonates. Emphasis is placed on the influence of different oxygenated functionalities and their positions within the molecule on combustion characteristics and reaction pathways. Distinct reaction patterns for each class are highlighted. Alcohols exhibit a characteristic unimolecular dehydration reaction. FAME kinetics are similar to long-chain hydrocarbons, with unsaturation significantly impacting low-temperature oxidation. Ketone oxidation is influenced by the formation of resonance-stabilized radicals, while straight-chain ethers demonstrate a unique double negative temperature coefficient (NTC) behavior. Carbonates, relevant to lithium-ion battery safety, have gained research attention and can undergo a distinctive reaction pathway identified as CO₂ elimination reaction. To advance predictive kinetic models for biomass-derived oxygenated fuels, several targeted research directions are essential. First, there is a critical need to expand experimental datasets that capture the combustion behavior of diverse oxygenated compounds, particularly under low-temperature conditions. This must be coupled with enhanced combustion diagnostics capable of resolving key reaction intermediates characteristic of oxygenated fuel oxidation. Second, detailed quantum chemical calculations and theoretical explorations of potential energy surfaces are required to accurately determine reaction rate parameters for oxygen-involved pathways, which are often determinant in fuel decomposition and pollutant formation. Finally, progress in model predictability will depend on the adoption of advanced computational methods, including automated mechanism generation for complex oxygenated structures, systematic optimization frameworks leveraging experimental data, and the incorporation of physics-informed artificial intelligence approaches tailored to oxygenated fuel chemistries.

Keywords

Bio-fuel / Oxygenated fuels / Combustion kinetics / Gas-phase oxidation / Detailed kinetic models

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Xiao Liu, Chung K. Law, Bin Yang. Recent Research Progress in Combustion Kinetics of Biomass-Derived Oxygenated Fuels. Engineering DOI:10.1016/j.eng.2025.10.012

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References

Publishing order | Descend order by publishing year | Descend order by cited within

[1]	Statistical review of world energy 2024.Report. London: Energy Institute; 2024.

[2]	Escobar JC, Lora ES, Venturini OJ, Yáñez EE, Castillo EF, Almazan O.Biofuels: environment, technology and food security.Renew Sustain Energy Rev 2009; 13(6–7):1275-1287.

[3]	.State of the global climate 2023.Report. Geneva: World Meteorological Organization; 2023.

[4]	Timilsina GR, Dulal H.A review of regulatory instruments to control environmental externalities from the transport sector.Report. Washington, DC: World Bank; 2009.

[5]	Le C Quéré, Korsbakken JI, Wilson C, Tosun J, Andrew R, Andres RJ, et al.Drivers of declining CO₂ emissions in 18 developed economies.Nat Clim Change 2019; 9(3):213-217.

[6]	Usman A, Mohammed I, Dawaki KA.State of the art on vehicular engine exhaust emissions standards and regulations: a review.Traekt Nauki 2023; 9(6):6001-6009.

[7]	Poudenx P.The effect of transportation policies on energy consumption and greenhouse gas emission from urban passenger transportation.Transp Res 2008; 42(6):901-909.

[8]	Twigg MV.Controlling automotive exhaust emissions: successes and underlying science.Philos Trans R Soc A 1829; 2005(363):1013-1033.

[9]	Tripathi G, Dhar A, Sadiki A.Recent advancements in after-treatment technology for internal combustion engines—an overview. D. Srivastava, A. Agarwal, A. Datta, R. Maurya (Eds.), Advances in internal combustion engine research. Energy, environment, and sustainability, Springer, Singapore (2018)

[10]	Demirba Aş.Global renewable energy resources.Energy Sources A 2006; 28(8):779-792.

[11]	Notton G, Nivet ML, Voyant C, Paoli C, Darras C, Motte F, et al.Intermittent and stochastic character of renewable energy sources: consequences, cost of intermittence and benefit of forecasting.Renew Sustain Energy Rev 2018; 87:96-105.

[12]	Jin C, Li X, Xu T, Dong J, Geng Z, Liu J, et al.Zero-carbon and carbon-neutral fuels: a review of combustion products and cytotoxicity.Energies 2023; 16:6507.

[13]	Kalamaras E, Maroto-Valer MM, Shao M, Xuan J, Wang H.Solar carbon fuel via photoelectrochemistry.Catal Today 2018; 317:56-75.

[14]	Ababneh H, Hameed B.Electrofuels as emerging new green alternative fuel: a review of recent literature.Energy Convers Manage 2022; 254:115213.

[15]	Keasling J, Garcia H Martin, Lee TS, Mukhopadhyay A, Singer SW, Sundstrom E.Microbial production of advanced biofuels.Nat Rev Microbiol 2021; 19(11):701-715.

[16]	Khan N, Sudhakar K, Mamat R.Role of biofuels in energy transition, green economy and carbon neutrality.Sustainability 2021; 13(22):12374.

[17]	Rajagopal D.Implications of India’s biofuel policies for food, water and the poor.Water Policy 2008; 10(S1):95-106.

[18]	.Renewable energy market update 2021.Report. Paris: International Energy Agency; 2022.

[19]	Gheewala SH, Damen B, Shi X.Biofuels: economic, environmental and social benefits and costs for developing countries in Asia.Wiley Interdiscip Rev Clim Change 2013; 4(6):497-511.

[20]	Balat M, Balat H.Progress in biodiesel processing.Appl Energy 2010; 87(6):1815-1835.

[21]	Gasparatos A, Stromberg P, Takeuchi K.Sustainability impacts of first-generation biofuels.Anim Front 2013; 3(2):12-26.

[22]	Cherubini F, Str AHømman.Life cycle assessment of bioenergy systems: state of the art and future challenges.Bioresour Technol 2011; 102(2):437-451.

[23]	Popp J, Lakner Z, Harangi-Rákos M, Fári M.The effect of bioenergy expansion: food, energy, and environment.Renew Sustain Energy Rev 2014; 32:559-578.

[24]	Christopher LP, Kumar H, Zambare V.Enzymatic biodiesel: challenges and opportunities.Appl Energy 2014; 119:497-520.

[25]	Gupta VK, Potumarthi R, O A’Donovan, Kubicek CP, Sharma GD, Tuohy MG.Bioenergy research: an overview on technological developments and bioresources. Bioenergy research: advances and applications.

[26]	Sims RE, Mabee W, Saddler JN, Taylor M.An overview of second generation biofuel technologies.Bioresour Technol 2010; 101(6):1570-1580.

[27]	Yue D, You F, Snyder SW.Biomass-to-bioenergy and biofuel supply chain optimization: overview, key issues and challenges.Comput Chem Eng 2014; 66:36-56.

[28]	Chen CY, Yeh KL, Aisyah R, Lee DJ, Chang JS.Cultivation, photobioreactor design and harvesting of microalgae for biodiesel production: a critical review.Bioresour Technol 2011; 102(1):71-81.

[29]	Pittman JK, Dean AP, Osundeko O.The potential of sustainable algal biofuel production using wastewater resources.Bioresour Technol 2011; 102(1):17-25.

[30]	Chisti Y.Biodiesel from microalgae.Biotechnol Adv 2007; 25(3):294-306.

[31]	Maeda Y, Yoshino T, Matsunaga T, Matsumoto M, Tanaka T.Marine microalgae for production of biofuels and chemicals.Curr Opin Biotechnol 2018; 50:111-120.

[32]	Park S, Nguyen THT, Jin E.Improving lipid production by strain development in microalgae: strategies, challenges and perspectives.Bioresour Technol 2019; 292:121953.

[33]	Wang Q, Lu Y, Xin Y, Wei L, Huang S, Xu J.Genome editing of model oleaginous microalgae nannochloropsis spp. by Crispr/Cas9.Plant J 2016; 88(6):1071-1081.

[34]	Greiner A, Kelterborn S, Evers H, Kreimer G, Sizova I, Hegemann P.Targeting of photoreceptor genes in chlamydomonas reinhardtii via zinc-finger nucleases and Crispr/Cas9.Plant Cell 2017; 29(10):2498.

[35]	Tran LS, Sirjean B, Glaude PA, Fournet R, Battin-Leclerc F.Progress in detailed kinetic modeling of the combustion of oxygenated components of biofuels.Energy 2012; 43(1):4-18.

[36]	Rorrer JE, Bell AT, Toste FD.Synthesis of biomass‐derived ethers for use as fuels and lubricants.ChemSusChem 2019; 12(13):2835-2858.

[37]	Li H, Riisager A, Saravanamurugan S, Pandey A, Sangwan RS, Yang S, et al.Carbon-increasing catalytic strategies for upgrading biomass into energy-intensive fuels and chemicals.ACS Catal 2018; 8(1):148-187.

[38]	Sreekumar S, Baer ZC, Pazhamalai A, Gunbas G, Grippo A, Blanch HW, et al.Production of an acetone–butanol–ethanol mixture from clostridium acetobutylicum and its conversion to high-value biofuels.Nat Protoc 2015; 10(3):528-537.

[39]	Serrano-Ruiz JC, West RM, Dumesic JA.Catalytic conversion of renewable biomass resources to fuels and chemicals.Annu Rev Chem Biomol Eng 2010; 1(1):79-100.

[40]	O MF’Neill, Sankar M, Hintermair U.Sustainable synthesis of dimethyl-and diethyl carbonate from CO₂ in batch and continuous flow—lessons from thermodynamics and the importance of catalyst stability.ACS Sustain Chem Eng 2022; 10(16):5243-5257.

[41]	Kim D, Lee M, Shin Y, Lee J, Lee JW.Direct production of diethyl carbonate from ethylene carbonate and ethanol by energy-efficient intensification of reaction and separation.Chem Eng Process 2023; 192:109519.

[42]	Rong D, Zhang G, Sun Q, Hu X.Experimental study on gas production characteristics of electrolyte of lithium-ion battery under pyrolysis conditions.J Energy Storage 2023; 74:109367.

[43]	Hou J, Lu L, Wang L, Ohma A, Ren D, Feng X, et al.Thermal runaway of lithium-ion batteries employing Lin (SO₂f)₂-based concentrated electrolytes.Nat Commun 2020; 11(1):5100.

[44]	Xie H, Sun J, Li J, Zhou T, Wei S, Yi Z.Lithium-ion battery thermal runaway electro–thermal triggering method and toxicity analysis.Earth and Environ Sci 2021; 701:012007.

[45]	Kohse-Höinghaus K.Combustion, chemistry, and carbon neutrality.Chem Rev 2023; 123(8):5139-5219.

[46]	Dunphy MP, Patterson PM, Simmie JM.High-temperature oxidation of ethanol. Part 2. Kinetic modelling.J Chem Soc 1991; 87(16):2549-2559.

[47]	Norton T, Dryer F.An experimental and modeling study of ethanol oxidation kinetics in an atmospheric pressure flow reactor.Int J Chem Kinet 1992; 24(4):319-344.

[48]	Marinov NM.A detailed chemical kinetic model for high temperature ethanol oxidation.Int J Chem Kinet 1999; 31(3):183-220.

[49]	Göransson K, Söderlind U, He J, Zhang W.Review of syngas production via biomass DFBGs.Renew Sustain Energy Rev 2011; 15(1):482-492.

[50]	Nielsen HB, Heiske S.Anaerobic digestion of macroalgae: Methane potentials, pre-treatment, inhibition and co-digestion.Water Sci Technol 2011; 64(8):1723-1729.

[51]	Battin-Leclerc F, Simmie JM, Blurock E.Cleaner combustion developing detailed chemical kinetic models preface.Green energy and technology. Springer International Publishing, Cham (2013)

[52]	Arrhenius S.Über die reaktionsgeschwindigkeit bei der inversion von rohrzucker durch säuren.Z Phys Chem, 4U 1889; (1):226-248.

[53]	Gilbert R, Luther K, Troe J.Theory of thermal unimolecular reactions in the fall‐off range. II. Weak collision rate constants.Berichte der Bunsengesellschaft für physikalische Chemie 1983; 87(2):169-177.

[54]	Zeleznik FJ.A general IBM 704 or 7090 computer program for computation of chemical equilibrium compositions, rocket performance, and chapman-jouguet dentonations.Report. Washington, DC: National Aeronautics and Space Administration; 1962.

[55]	Kee RJ, Rupley FM, Miller JA.Chemkin-ii: a Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics. Report. (1989)

[56]	Goodwin DG, Moffat HK, Speth RL.Cantera: an object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes. Report. Zenodo; 2017.

[57]	Cuoci A, Frassoldati A, Faravelli T, Opensmoke RE.Numerical modeling of reacting systems with detailed kinetic mechanisms. Proceedings of XXXIV Meeting of the Italian Section of the Combustion Institute (2011)

[58]	Curran HJ.Developing detailed chemical kinetic mechanisms for fuel combustion.Proc Combust Inst 2019; 37(1):57-81.

[59]	Smith GP, Golden DM, Frenklach M, Moriarty NW, Eiteneer B, Goldenberg M, et al.Gri-mech version 3.0. Software (1999)

[60]	Wang H, You X, Joshi AV, Davis SG, Laskin A, Egolfopoulos F, et al.High-temperature combustion reaction model of H2/CO/C1–C4 compounds [Internet].[cited 2025 Mar 12]. Available from: http://ignis.usc.edu/USC_Mech_II.htm.

[61]	Zhang Y, Vandewalle WDL, Xu R, Smith GP, Wang H.Foundational fuel chemistry model version 2.0 (FFCM-2) [Internet]. Stanford: FFCM-2 website; 2023 [cited 2025 Apr 2]. Available from: https://web.stanford.edu/group/haiwanglab/FFCM2.

[62]	Wu Y, Panigrahy S, Sahu AB, Bariki C, Beeckmann J, Liang J, et al.Understanding the antagonistic effect of methanol as a component in surrogate fuel models: a case study of methanol/n-heptane mixtures.Combust Flame 2021; 226:229-242.

[63]	Zhou CW, Li Y, O E’Connor, Somers KP, Thion S, Keesee C, et al.A comprehensive experimental and modeling study of isobutene oxidation.Combust Flame 2016; 167:353-379.

[64]	Metcalfe WK, Burke SM, Ahmed SS, Curran HJ.A hierarchical and comparative kinetic modeling study of C1−C2 hydrocarbon and oxygenated fuels.Int J Chem Kinet 2013; 45(10):638-675.

[65]	Li Y, Zhou CW, Somers KP, Zhang K, Curran HJ.The oxidation of 2-butene: a high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene.Proc Combust Inst 2017; 36(1):403-411.

[66]	Zádor J, Taatjes CA, Fernandes RX.Kinetics of elementary reactions in low-temperature autoignition chemistry.Pror Energy Combust Sci 2011; 37(4):371-421.

[67]	Curran HJ, Gaffuri P, Pitz WJ, Westbrook CK.A comprehensive modeling study of iso-octane oxidation.Combust Flame 2002; 129(3):253-280.

[68]	Sarathy SM, Westbrook CK, Mehl M, Pitz WJ, Togbe C, Dagaut P, et al.Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20.Combust Flame 2011; 158(12):2338-2357.

[69]	Westbrook CK, Pitz WJ, Herbinet O, Curran HJ, Silke EJ.A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane.Combust Flame 2009; 156(1):181-199.

[70]	Battin-Leclerc F.Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates.Pror Energy Combust Sci 2008; 34(4):440-498.

[71]	Villano SM, Huynh LK, Carstensen HH, Dean AM.High-pressure rate rules for alkyl+ O₂ reactions. 1. The dissociation, concerted elimination, and isomerization channels of the alkyl peroxy radical.J Phys Chem A 2011; 115(46):13425-13442.

[72]	Villano SM, Huynh LK, Carstensen HH, Dean AM.High-pressure rate rules for alkyl+ O₂ reactions. 2. The isomerization, cyclic ether formation, and β-scission reactions of hydroperoxy alkyl radicals.J Phys Chem A 2012; 116(21):5068-5089.

[73]	Sharma S, Raman S, Green WH.Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors.J Phys Chem A 2010; 114(18):5689-5701.

[74]	Bugler J, Power J, Curran HJ.A theoretical study of cyclic ether formation reactions.Proc Combust Inst 2017; 36(1):161-167.

[75]	Bhaskaran K, Roth P.The shock tube as wave reactor for kinetic studies and material systems.Pror Energy Combust Sci 2002; 28(2):151-192.

[76]	Davidson DF, Hanson RK.Interpreting shock tube ignition data.Int J Chem Kinet 2004; 36(9):510-523.

[77]	Tranter R, Lynch P.A miniature high repetition rate shock tube.Rev Sci Instrum 2013; 84(9):094102.

[78]	Bugler J, Marks B, Mathieu O, Archuleta R, Camou A, Gr Cégoire, et al.An ignition delay time and chemical kinetic modeling study of the pentane isomers.Combust Flame 2016; 163:138-156.

[79]	Brett L, MacNamara J, Musch P, Simmie J.Simulation of methane autoignition in a rapid compression machine with creviced pistons.Combust Flame 2001; 124(1–2):326-329.

[80]	Zhang P, Li S, Wang Y, Ji W, Sun W, Yang B, et al.Measurement of reaction rate constants using RCM: a case study of decomposition of dimethyl carbonate to dimethyl ether.Combust Flame 2017; 183:30-38.

[81]	Battin-Leclerc F, Herbinet O, Glaude PA, Fournet R, Zhou Z, Deng L, et al.Experimental confirmation of the low‐temperature oxidation scheme of alkanes.Angew Chem 2010; 122(18):3237-3240.

[82]	Dryer FL, Haas FM, Santner J, Farouk TI, Chaos M.Interpreting chemical kinetics from complex reaction–advection–diffusion systems: modeling of flow reactors and related experiments.Pror Energy Combust Sci 2014; 44:19-39.

[83]	Park SH, Lee KM, Hwang CH.Effects of hydrogen addition on soot formation and oxidation in laminar premixed C₂H₂/air flames.Int J Hydrogen Energy 2011; 36(15):9304-9311.

[84]	Wagner S, Klein M, Kathrotia T, Riedel U, Kissel T, Dreizler A, et al.Absolute, spatially resolved, in situ co profiles in atmospheric laminar counter-flow diffusion flames using 2.3 μm TDLAS.Appl Phys B 2012; 109(3):533-540.

[85]	Goldsborough SS, Hochgreb S, Vanhove G, Wooldridge MS, Curran HJ, Sung CJ.Advances in rapid compression machine studies of low- and intermediate-temperature autoignition phenomena.Pror Energy Combust Sci 2017; 63:631-678.

[86]	Zhao H, Yan C, Zhang T, Ma G, Souza MJ, Zhou C, et al.Studies of high-pressure n-butane oxidation with co2 dilution up to 100 atm using a supercritical-pressure jet-stirred reactor.Proc Combust Inst 2021; 38(1):279-287.

[87]	Kang S, Liao W, Chu Z, Yang B.A rapid compression machine coupled with time-resolved molecular beam mass spectrometry for gas-phase kinetics studies.Rev Sci Instrum 2021; 92(8):084103.

[88]	Wolfrum J.Lasers in combustion: from basic theory to practical devices.Symp Combust 1998; 27(1):1-41.

[89]	Kohse-Höinghaus K, Barlow RS, Ald Mén, Wolfrum J.Combustion at the focus: laser diagnostics and control.Proc Combust Inst 2005; 30(1):89-123.

[90]	Goldenstein CS, Spearrin RM, Jeffries JB, Hanson RK.Infrared laser-absorption sensing for combustion gases.Pror Energy Combust Sci 2017; 60:132-176.

[91]	Hansen N, Cool TA, Westmoreland PR, Kohse-Höinghaus K.Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry.Pror Energy Combust Sci 2009; 35(2):168-191.

[92]	Qi F.Combustion chemistry probed by synchrotron VUV photoionization mass spectrometry.Proc Combust Inst 2013; 34(1):33-63.

[93]	Liao W, Chu Z, Wang Y, Yang B.A kinetic investigation on low-temperature ignition of propane with ozone addition in an RCM.Proc Combust Inst 2023; 39(1):395-403.

[94]	Taatjes CA, Hansen N, Osborn DL, Kohse-Höinghaus K, Cool TA, Westmoreland PR.“Imaging” combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry.Phys Chem Chem Phys 2008; 10(1):20-34.

[95]	Moshammer K, Jasper AW, Popolan-Vaida DM, Lucassen A, Di Pévart, Selim H, et al.Detection and identification of the keto-hydroperoxide (HOOCH₂OCHO) and other intermediates during low-temperature oxidation of dimethyl ether.J Phys Chem A 2015; 119(28):7361-7374.

[96]	Moshammer K, Jasper AW, Popolan-Vaida DM, Wang Z, Bhavani VS Shankar, Ruwe L, et al.Quantification of the keto-hydroperoxide (HOOCH₂OCHO) and other elusive intermediates during low-temperature oxidation of dimethyl ether.J Phys Chem A 2016; 120(40):7890-7901.

[97]	Frenklach M.Transforming data into knowledge—process informatics for combustion chemistry.Proc Combust Inst 2007; 31(1):125-140.

[98]	Varga T, Olm C, Nagy T, Zs IGély, ÉValkó , Pálvölgyi R, et al.Development of a joint hydrogen and syngas combustion mechanism based on an optimization approach.Int J Chem Kinet 2016; 48(8):407-422.

[99]	Olm C, Varga T, ÉValkó , Curran HJ, Turányi T.Uncertainty quantification of a newly optimized methanol and formaldehyde combustion mechanism.Combust Flame 2017; 186:45-64.

[100]

Liu C, Lin K, Wang Y, Yang B.Multi-fidelity neural network for uncertainty quantification of chemical reaction models.Combust Flame 2023; 258:113074.

[101]

Lin K, Zhou Z, Law CK, Yang B.Dimensionality reduction for surrogate model construction for global sensitivity analysis: comparison between active subspace and local sensitivity analysis.Combust Flame 2021; 232:111501.

[102]

Sheen DA.Mumpce_py: a python implementation of the method of uncertainty minimization using polynomial chaos expansions.J Res Natl Inst Stand Technol 2017; 122:39.

[103]

Sheen DA, Wang H.The method of uncertainty quantification and minimization using polynomial chaos expansions.Combust Flame 2011; 158(12):2358-2374.

[104]

Nagy T, ÉValkó , Sedyó I, Zs IGély, Pilling MJ, Turányi T.Uncertainty of the rate parameters of several important elementary reactions of the H₂ and syngas combustion systems.Combust Flame 2015; 162(5):2059-2076.

[105]

Nagy T, Turányi T.Uncertainty of arrhenius parameters.Int J Chem Kinet 2011; 43(7):359-378.

[106]

Kovács M, Papp M, Zs IGély, Turányi T.Main sources of uncertainty in recent methanol/NO_x combustion models.Int J Chem Kinet 2021; 53(7):884-900.

[107]

Olm C, Zs IGély, Pálvölgyi R, Varga T, Nagy T, Curran HJ, et al.Comparison of the performance of several recent hydrogen combustion mechanisms.Combust Flame 2014; 161(9):2219-2234.

[108]

Tomlin AS.The role of sensitivity and uncertainty analysis in combustion modelling.Proc Combust Inst 2013; 34(1):159-176.

[109]

Ziehn T, Tomlin AS.GUI–HDMR—a software tool for global sensitivity analysis of complex models.Environ Model Softw 2009; 24(7):775-785.

[110]

Huan X, Marzouk YM.Simulation-based optimal Bayesian experimental design for nonlinear systems.J Comput Phys 2013; 232(1):288-317.

[111]

Sheen DA, Manion JA.Kinetics of the reactions of H and CH3 radicals with n-butane: an experimental design study using reaction network analysis.J Phys Chem A 2014; 118(27):4929-4941.

[112]

ÉValkó , Papp M, Kovács M, Varga T, Zs IGély, Nagy T, et al.Design of combustion experiments using differential entropy.Combust Theory Modell 2022; 26(1):67-90.

[113]

Vom F Lehn, Cai L, Pitsch H.Iterative model-based experimental design for efficient uncertainty minimization of chemical mechanisms.Proc Combust Inst 2021; 38(1):1033-1042.

[114]

Zhou Z, Lin K, Wang Y, Wang J, Law CK, Yang B.OptEx: an integrated framework for experimental design and combustion kinetic model optimization.Combust Flame 2022; 245:112298.

[115]

Cooke D, Dodson M, Williams A.A shock-tube study of the ignition of methanol and ethanol with oxygen.Combust Flame 1971; 16(3):233-236.

[116]

Smith SR, Gordon AS.Studies of diffusion flames. II. Diffusion flames of some simple alcohols.J Phys Chem 1956; 60(8):1059-1062.

[117]

Bowman CT.A shock-tube investigation of the high-temperature oxidation of methanol.Combust Flame 1975; 25:343-354.

[118]

Norton T, Dryer F.Toward a comprehensive mechanism for methanol pyrolysis.Int J Chem Kinet 1990; 22(3):219-241.

[119]

Li J, Kazakov A, Dryer FL.Experimental and numerical studies of ethanol decomposition reactions.J Phys Chem A 2004; 108(38):7671-7680.

[120]

Sarathy SM, O Pβwald, Hansen N, Kohse-Höinghaus K.Alcohol combustion chemistry.Pror Energy Combust Sci 2014; 44:40-102.

[121]

Zhang X, Wang G, Zou J, Li Y, Li W, Li T, et al.Investigation on the oxidation chemistry of methanol in laminar premixed flames.Combust Flame 2017; 180:20-31.

[122]

Li J, Zhao Z, Kazakov A, Chaos M, Dryer FL, Scire JJ Jr.A comprehensive kinetic mechanism for CO, CH₂O, and CH₃OH combustion.Int J Chem Kinet 2007; 39(3):109-136.

[123]

Chemical-kinetic mechanisms for combustion applications [Internet]. [cited 2025 March 12]. Available from: http://combustion.ucsd.edu.

[124]

Christensen M, Nilsson E, Konnov A.A systematically updated detailed kinetic model for CH₂O and CH₃OH combustion.Energy Fuels 2016; 30(8):6709-6726.

[125]

Zhang Y, El-Merhubi H, Lefort B, Le L Moyne, Curran HJ, K Aéromnès.Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether.Combust Flame 2018; 190:74-86.

[126]

Liao W, Kang S, Chu Z, Liu Z, Wang Y, Yang B.Exploring the low-temperature oxidation chemistry with ozone addition in an RCM: a case study on ethanol.Combust Flame 2022; 237:111727.

[127]

Zhang X, Hong C, Feng Z, Zhang Y, Huang Z, Zhang Y.An ultraviolet laser absorption diagnostic for ȮH concentration time-history in ethanol oxidation and model improvement.Combust Flame 2024; 261:113287.

[128]

Pinzón LT, Mathieu O, Mulvihill CR, Schoegl I, Petersen EL.Ethanol pyrolysis kinetics using H₂O time history measurements behind reflected shock waves.Proc Combust Inst 2019; 37(1):239-247.

[129]

Kiecherer J, Bänsch C, Bentz T, Olzmann M.Pyrolysis of ethanol: a shock-tube/TOF-MS and modeling study.Proc Combust Inst 2015; 35(1):465-472.

[130]

Tao Y, Smith GP, Wang H.Critical kinetic uncertainties in modeling hydrogen/carbon monoxide, methane, methanol, formaldehyde, and ethylene combustion.Combust Flame 2018; 195:18-29.

[131]

Xing L, Li S, Wang Z, Yang B, Klippenstein SJ, Zhang F.Global uncertainty analysis for RRKM/master equation based kinetic predictions: a case study of ethanol decomposition.Combust Flame 2015; 162(9):3427-3436.

[132]

Man X, Tang C, Zhang J, Zhang Y, Pan L, Huang Z, et al.An experimental and kinetic modeling study of n-propanol and i-propanol ignition at high temperatures.Combust Flame 2014; 161(3):644-656.

[133]

Zhang Z, Li A, Ma Z, Zhu L, Huang Z.An experimental and kinetic modeling study on the effects of molecular structure on oxidation of propanol isomers at engine-relevant condition in a variable pressure laminar flow reactor.Chem Eng Sci 2023; 265:118241.

[134]

Cooper SP, Gr CMégoire, Mohr DJ, Mathieu O, Alturaifi SA, Petersen EL.An experimental kinetics study of isopropanol pyrolysis and oxidation behind reflected shock waves.Energies 2021; 14(20):6808.

[135]

Li W, Zhang Y, Mei B, Li Y, Cao C, Zou J, et al.Experimental and kinetic modeling study of n-propanol and i-propanol combustion: flow reactor pyrolysis and laminar flame propagation.Combust Flame 2019; 207:171-185.

[136]

Feng Y, Zhu J, Wang S, Yu L, He Z, Qian Y, et al.Theoretical and experimental study of 3-pentanol autoignition: ab initio calculation, shock tube experiments, and kinetic modeling.J Phys Chem A 2021; 125(27):5976-5989.

[137]

Zhang K, Sawaya MR, Eisenberg DS, Liao JC.Expanding metabolism for biosynthesis of nonnatural alcohols.Proc Natl Acad Sci USA 2008; 105(52):20653-20658.

[138]

Cann AF, Liao JC.Pentanol isomer synthesis in engineered microorganisms.Appl Microbiol Biotechnol 2010; 858:93-99.

[139]

Sarathy SM, Vranckx S, Yasunaga K, Mehl M, O Pßwald, Metcalfe WK, et al.A comprehensive chemical kinetic combustion model for the four butanol isomers.Combust Flame 2012; 159(6):2028-2055.

[140]

Togb Cé, Halter F, Foucher F, Mounaim-Rousselle C, Dagaut P.Experimental and detailed kinetic modeling study of 1-pentanol oxidation in a JSR and combustion in a bomb.Proc Combust Inst 2011; 33(1):367-374.

[141]

Heufer KA, Sarathy SM, Curran HJ, Davis AC, Westbrook CK, Pitz WJ.Detailed kinetic modeling study of n-pentanol oxidation.Energy Fuels 2012; 26(11):6678-6685.

[142]

Köhler M, Kathrotia T, O Pßwald, Fischer-Tammer ML, Moshammer K, Riedel U.1-, 2- and 3-pentanol combustion in laminar hydrogen flames–a comparative experimental and modeling study.Combust Flame 2015; 162(9):3197-3209.

[143]

Chatterjee T, Saggese C, Dong S, Patel V, Lockwood KS, Curran HJ, et al.Experimental and kinetic modeling study of the low-temperature and high-pressure combustion chemistry of straight chain pentanol isomers: 1-, 2- and 3-pentanol.Proc Combust Inst 2023; 39(1):265-274.

[144]

Carbonnier M, Serinyel Z, Keromnes A, Dayma G, Lefort B, Le L Moyne, et al.An experimental and modeling study of the oxidation of 3-pentanol at high pressure.Proc Combust Inst 2019; 37(1):477-484.

[145]

Liu B, Zhu Q, Zhu L, Xie C, Xu Q, Wang Z.Low-temperature oxidation of n-butanol in a jet-stirred reactor: detailed species measurements and modeling studies.Combust Flame 2024; 261:113290.

[146]

Hashemi H, Christensen JM, Glarborg P.High-pressure pyrolysis and oxidation of ethanol.Fuel 2018; 218:247-257.

[147]

Weber BW, Merchant S, Sung CJ, Green WH.An autoignition study of iso-butanol: Experiments and modeling.2017. arXiv: 1706.01827.

[148]

Nativel D, Pelucchi M, Frassoldati A, Comandini A, Cuoci A, Ranzi E, et al.Laminar flame speeds of pentanol isomers: an experimental and modeling study.Combust Flame 2016; 166:1-18.

[149]

Cai L, Kröger L, Döntgen M, Leonhard K, Narayanaswamy K, Sarathy SM, et al.Exploring the combustion chemistry of a novel lignocellulose-derived biofuel: cyclopentanol. Part i: quantum chemistry calculation and kinetic modeling.Combust Flame 2019; 210:490-501.

[150]

Pelucchi M, Namysl S, Ranzi E, Rodriguez A, Rizzo C, Somers K, et al.Combustion of n-C3–C6 linear alcohols: an experimental and kinetic modeling study. Part ii: speciation measurements in a jet-stirred reactor, ignition delay time measurements in a rapid compression machine, model validation, and kinetic analysis.Energy Fuels 2020; 34(11):14708-14725.

[151]

Herrmann F, Jochim B, O Pßwald, Cai L, Pitsch H, Kohse-Höinghaus K.Experimental and numerical low-temperature oxidation study of ethanol and dimethyl ether.Combust Flame 2014; 161(2):384-397.

[152]

Demirbas A.Progress and recent trends in biodiesel fuels.Energy Convers Manage 2009; 50(1):14-34.

[153]

Lai JY, Lin KC, Violi A.Biodiesel combustion: advances in chemical kinetic modeling.Pror Energy Combust Sci 2011; 37(1):1-14.

[154]

Herbinet O, Pitz WJ, Westbrook CK.Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate.Combust Flame 2010; 157(5):893-908.

[155]

Westbrook C, Pitz W, Sarathy S, Mehl M.Detailed chemical kinetic modeling of the effects of CC double bonds on the ignition of biodiesel fuels.Proc Combust Inst 2013; 34(2):3049-3056.

[156]

Zhou W, Wang Z, Liang Y, Zhang X, Yu L, Lu X.The effect of the unsaturation degree on the gas-phase autoignition of methyl oleate and methyl linoleate: experimental and modeling study.Combust Flame 2024; 263:113381.

[157]

Glaude PA, Pitz WJ, Thomson MJ.Chemical kinetic modeling of dimethyl carbonate in an opposed-flow diffusion flame.Proc Combust Inst 2005; 30(1):111-118.

[158]

Zhao L, Xie M, Ye L, Cheng Z, Cai J, Li Y, et al.An experimental and modeling study of methyl propanoate pyrolysis at low pressure.Combust Flame 2013; 160(10):1958-1966.

[159]

Herbinet O, Biet J, Hakka MH, Warth V, Glaude PA, Nicolle A, et al.Modeling study of the low-temperature oxidation of large methyl esters from C11 to C19.Proc Combust Inst 2011; 33(1):391-398.

[160]

Fisher EM, Pitz WJ, Curran HJ, Westbrook CK.Detailed chemical kinetic mechanisms for combustion of oxygenated fuels.Proc Combust Inst 2000; 28(2):1579-1586.

[161]

Dooley S, Curran HJ, Simmie JM.Autoignition measurements and a validated kinetic model for the biodiesel surrogate, methyl butanoate.Combust Flame 2008; 153(1–2):2-32.

[162]

Ga Sïl, Sarathy SM, Thomson MJ, Di Pévart, Dagaut P.Experimental and chemical kinetic modeling study of small methyl esters oxidation: methyl (E)-2-butenoate and methyl butanoate.Combust Flame 2008; 155(4):635-650.

[163]

Hakka MH, Bennadji H, Biet J, Yahyaoui M, Sirjean B, Warth V, et al.Oxidation of methyl and ethyl butanoates.Int J Chem Kinet 2010; 42(4):226-252.

[164]

Lele AD, Vallabhuni SK, Moshammer K, Fernandes RX, Krishnasamy A, Narayanaswamy K.Experimental and chemical kinetic modeling investigation of methyl butanoate as a component of biodiesel surrogate.Combust Flame 2018; 197:49-64.

[165]

Herbinet O, Pitz WJ, Westbrook CK.Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate.Combust Flame 2008; 154(3):507-528.

[166]

Glaude PA, Herbinet O, Bax S, Biet J, Warth V, Battin-Leclerc F.Modeling of the oxidation of methyl esters—validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor.Combust Flame 2010; 157(11):2035-2050.

[167]

Naik CV, Westbrook CK, Herbinet O, Pitz WJ, Mehl M.Detailed chemical kinetic reaction mechanism for biodiesel components methyl stearate and methyl oleate.Proc Combust Inst 2011; 33(1):383-389.

[168]

Zhou W, Liang Y, Pei X, Zhang Y, Yu L, Lu X.Autoignition of methyl palmitate in low to intermediate temperature: experiments in rapid compression machine and kinetic modeling.Combust Flame 2023; 249:112619.

[169]

Zhou W, Liang Y, Zhang Y, Wang Z, Yu L, Lu X.Experimental and modeling study on the autoignition characteristics of methyl stearate in a rapid compression machine.Combust Flame 2023; 255:112942.

[170]

Rodriguez A, Herbinet O, Battin-Leclerc F, Frassoldati A, Faravelli T, Ranzi E.Experimental and modeling investigation of the effect of the unsaturation degree on the gas-phase oxidation of fatty acid methyl esters found in biodiesel fuels.Combust Flame 2016; 164:346-362.

[171]

Li H, Yang W, Zhou D, Yu W.Skeletal mechanism construction for heavy saturated methyl esters in real biodiesel fuels.Fuel 2019; 239:263-271.

[172]

Zhang L, Qi Q, Wang Z, Ren G, Liu Z.Development of a reduced oxidation mechanism with low-temperature chemistry for real biodiesel methyl esters.Fuel 2023; 338:127289.

[173]

Wu G, Wang X, Abubakar S, Li Y, Liu Z.A realistic skeletal mechanism for the oxidation of biodiesel surrogate composed of long carbon chain and polyunsaturated compounds.Fuel 2021; 289:119934.

[174]

Westbrook CK, Naik CV, Herbinet O, Pitz WJ, Mehl M, Sarathy SM, et al.Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels.Combust Flame 2011; 158(4):742-755.

[175]

Zhang X, Li W, Xu Q, Zhang Y, Jing Y, Wang Z, et al.A decoupled modeling approach and experimental measurements for pyrolysis of C6-C10 saturated fatty acid methyl esters (FAMEs).Combust Flame 2022; 243:111955.

[176]

Zhang X, Sarathy SM.High-temperature pyrolysis and combustion of C5–C19 fatty acid methyl esters (FAMEs): a lumped kinetic modeling study.Energy Fuels 2021; 35(23):19553-19567.

[177]

McCormick RL, Fioroni G, Fouts L, Christensen E, Yanowitz J, Polikarpov E, et al.Selection criteria and screening of potential biomass-derived streams as fuel blend stocks for advanced spark-ignition engines.SAE Int J Fuel Lubr 2017; 10(2):442-460.

[178]

Hoppe F, Burke U, Thewes M, Heufer A, Kremer F, Pischinger S.Tailor-made fuels from biomass: potentials of 2-butanone and 2-methylfuran in direct injection spark ignition engines.Fuel 2016; 167:106-117.

[179]

Barak S, Rahman RK, Neupane S, Ninnemann E, Arafin F, Laich A, et al.Measuring the effectiveness of high-performance co-optima biofuels on suppressing soot formation at high temperature.Proc Natl Acad Sci USA 2020; 117(7):3451-3460.

[180]

Hong C, Zhang X, Zou J, Huang Z, Zhang Y, Farooq A.Laser-based speciation of acetone oxidation behind reflected shock waves and chemical kinetic modeling.Int J Hydrogen Energy 2025; 141:46-58.

[181]

Burke U, Beeckmann J, Kopp WA, Uygun Y, Olivier H, Leonhard K, et al.A comprehensive experimental and kinetic modeling study of butanone.Combust Flame 2016; 168:296-309.

[182]

Yu D, Tian ZY, Wang Z, Liu YX, Zhou L.Experimental and theoretical study on acetone pyrolysis in a jet-stirred reactor.Fuel 2018; 234:1380-1387.

[183]

Hemken C, Burke U, Lam KY, Davidson DF, Hanson RK, Heufer KA, et al.Toward a better understanding of 2-butanone oxidation: detailed species measurements and kinetic modeling.Combust Flame 2017; 184:195-207.

[184]

Thion S, Di Pévart, Van P Cauwenberghe, Dayma G, Serinyel Z, Dagaut P.An experimental study in a jet-stirred reactor and a comprehensive kinetic mechanism for the oxidation of methyl ethyl ketone.Proc Combust Inst 2017; 36(1):459-467.

[185]

Fenard Y, Pieper J, Hemken C, Minwegen H, Büttgen RD, Kohse-Höinghaus K, et al.Experimental and modeling study of the low to high temperature oxidation of the linear pentanone isomers: 2-pentanone and 3-pentanone.Combust Flame 2020; 216:29-44.

[186]

Kang S, Liao W, Sun W, Lin K, Liao H, Moshammer K, et al.Exploring low-temperature oxidation chemistry of 2- and 3-pentanone.Combust Flame 2023; 257:112561.

[187]

Sun W, Tao T, Liao H, Hansen N, Yang B.Probing fuel-specific reaction intermediates from laminar premixed flames fueled by two cC5 ketones and model interpretations.Proc Combust Inst 2019; 37(2):1699-1707.

[188]

Pieper J, Hemken C, Büttgen R, Graf I, Hansen N, Heufer KA, et al.A high-temperature study of 2-pentanone oxidation: experiment and kinetic modeling.Proc Combust Inst 2019; 37(2):1683-1690.

[189]

Li W, Mei B, Li Y, Eckart S, Krause H, Ma S, et al.Insight into fuel isomeric effects on laminar flame propagation of pentanones.Proc Combust Inst 2021; 38(2):2135-2142.

[190]

Kang S, Huang C, Wang Y, Zhang P, Sun W, Law CK, et al.Isomer-specific influences on ignition and intermediates of two C5 ketones in an RCM.Proc Combust Inst 2021; 38(2):2295-2303.

[191]

Meziane I, Fenard Y, Delort N, Herbinet O, Bourgalais J, Ramalingam A, et al.Experimental and modeling study of acetone combustion.Combust Flame 2023; 257:112416.

[192]

Liao H, Tao T, Sun W, Hansen N, Yang B.Isomer-specific speciation behaviors probed from premixed flames fueled by acetone and propanal.Proc Combust Inst 2021; 38(2):2441-2448.

[193]

Decottignies V, Gasnot L, Pauwels J.A comprehensive chemical mechanism for the oxidation of methylethylketone in flame conditions.Combust Flame 2002; 130(3):225-240.

[194]

Zhang J, Li W, Mei B, Li Y.Laminar flame propagation of acetone and 2-butanone at normal to high pressures: insight into fuel molecular structure effects of ketones.Proc Combust Inst 2023; 39(2):1709-1720.

[195]

Serinyel Z, Chaumeix N, Black G, Simmie J, Curran H.Experimental and chemical kinetic modeling study of 3-pentanone oxidation.J Phys Chem A 2010; 114(46):12176-12186.

[196]

Dames EE, Lam KY, Davidson DF, Hanson RK.An improved kinetic mechanism for 3-pentanone pyrolysis and oxidation developed using multispecies time histories in shock-tubes.Combust Flame 2014; 161(5):1135-1145.

[197]

Thion S, Togb Cé, Dayma G, Serinyel Z, Dagaut P.Experimental and detailed kinetic modeling study of cyclopentanone oxidation in a jet-stirred reactor at 1 and 10 atm.Energy Fuels 2017; 31(3):2144-2155.

[198]

Cheng J, Zou C, Lin Q, Liu S, Wang Y, Liu Y.High-temperature oxidation of methyl isopropyl ketone: a shock tube experiment and a kinetic model.Combust Flame 2019; 209:376-388.

[199]

Li W, Ye L, Fang Q, Zou J, Yang J, Li Y.Exploration on thermal decomposition of cyclopentanone: a flow reactor pyrolysis and kinetic modeling study.Energy Fuels 2021; 35(17):14023-14034.

[200]

Lin Q, Chen J, Hu X, Zou C, Konnov AA.Measurements of laminar burning velocities and kinetic modelling of two symmetrical ketones: di-ethyl ketone and di-isopropyl ketone.Combust Flame 2024; 268:113614.

[201]

Serinyel Z, Togb Cé, Zaras A, Dayma G, Dagaut P.Kinetics of oxidation of cyclohexanone in a jet-stirred reactor: experimental and modeling.Proc Combust Inst 2015; 35(1):507-514.

[202]

He J, Gou Y, Lu P, Zhang C, Li P, Li X.Shock tube measurements and kinetic modeling study on autoignition characteristics of cyclohexanone.Combust Flame 2018; 192:358-368.

[203]

Allen JW, Scheer AM, Gao CW, Merchant SS, Vasu SS, Welz O, et al.A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi.Combust Flame 2014; 161(3):711-724.

[204]

Barari G, Pryor O, Koroglu B, Sarathy SM, Masunov AE, Vasu SS.High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis.Combust Flame 2017; 177:207-218.

[205]

Lin Q, Zou C, Luo J, Xia W, Li W, Peng C.A shock tube experiment and an improved high-temperature diisopropyl ketone model by Bayesian optimization.Combust Flame 2022; 245:112305.

[206]

Pichon S, Black G, Chaumeix N, Yahyaoui M, Simmie J, Curran H, et al.The combustion chemistry of a fuel tracer: measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone.Combust Flame 2009; 156(2):494-504.

[207]

Sato K, Hidaka Y.Shock-tube and modeling study of acetone pyrolysis and oxidation.Combust Flame 2000; 122(3):291-311.

[208]

Serinyel Z, Black G, Curran H, Simmie J.A shock tube and chemical kinetic modeling study of methy ethyl ketone oxidation.Combust Sci Technol 2010; 182(4–6):574-587.

[209]

Kuzhanthaivelan S, Rajakumar B.Computational investigations on the thermochemistry and kinetics for the autoignition of 2-pentanone.Combust Flame 2020; 219:147-160.

[210]

Scheer AM, Eskola AJ, Osborn DL, Sheps L, Taatjes CA.Resonance stabilization effects on ketone autoxidation: isomer-specific cyclic ether and ketohydroperoxide formation in the low-temperature (400–625 K) oxidation of diethyl ketone.J Phys Chem A 2016; 120(43):8625-8636.

[211]

Scheer AM, Welz O, Zádor J, Osborn DL, Taatjes CA.A Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone.Phys Chem Chem Phys 2014; 16(26):13027-13040.

[212]

Minwegen H, Burke U, Heufer KA.An experimental and theoretical comparison of C3–C5 linear ketones.Proc Combust Inst 2017; 36(1):561-568.

[213]

Arteconi A, Mazzarini A, Di G Nicola.Emissions from ethers and organic carbonate fuel additives: a review.Water Air Soil Pollut 2011; 221(1–4):405-423.

[214]

Dagaut P, Boettner JC, Cathonnet M.Chemical kinetic study of dimethylether oxidation in a jet stirred reactor from 1 to 10 atm: experiments and kinetic modeling.Symp Combust 1996; 26(1):627-632.

[215]

Burke U, Somers KP, O P’Toole, Zinner CM, Marquet N, Bourque G, et al.An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures.Combust Flame 2015; 162(2):315-330.

[216]

Wang Z, Zhang X, Xing L, Zhang L, Herrmann F, Moshammer K, et al.Experimental and kinetic modeling study of the low-and intermediate-temperature oxidation of dimethyl ether.Combust Flame 2015; 162(4):1113-1125.

[217]

Stagni A, Schmitt S, Pelucchi M, Frassoldati A, Kohse-Höinghaus K, Faravelli T.Dimethyl ether oxidation analyzed in a given flow reactor: experimental and modeling uncertainties.Combust Flame 2022; 240:111998.

[218]

Tran LS, Herbinet O, Li Y, Wullenkord J, Zeng M, Bräuer E, et al.Low-temperature gas-phase oxidation of diethyl ether: fuel reactivity and fuel-specific products.Proc Combust Inst 2019; 37(1):511-519.

[219]

Fan X, Sun W, Gao Y, Hansen N, Chen B, Pitsch H, et al.Chemical insights into the multi-regime low-temperature oxidation of di-n-propyl ether: jet-stirred reactor experiments and kinetic modeling.Combust Flame 2021; 233:111592.

[220]

Thion S, Togb Cé, Serinyel Z, Dayma G, Dagaut P.A chemical kinetic study of the oxidation of dibutyl-ether in a jet-stirred reactor.Combust Flame 2017; 185:4-15.

[221]

Fan X, Sun W, Liu Z, Gao Y, Yang J, Yang B, et al.Exploring the oxidation chemistry of diisopropyl ether: jet-stirred reactor experiments and kinetic modeling.Proc Combust Inst 2021; 38(1):321-328.

[222]

Serinyel Z, Lailliau M, Dayma G, Dagaut P.A high pressure oxidation study of di-n-propyl ether.Fuel 2020; 263:116554.

[223]

Zhang X, Feng Z, Hong C, Zhang Y, Huang Z, Zhang Y.Validation and improvement of dimethyl ether kinetic models: Insights from ȮH laser-absorption measurements across a wide pressure range.Combust Flame 2025; 275:114048.

[224]

Fan X, Hou Q, Sun W, Liu Z, Chen H, Yang J, et al.Oxidation of ethyl methyl ether: jet-stirred reactor experiments and kinetic modeling.Proc Combust Inst 2023; 39(1):275-283.

[225]

Serinyel Z, Lailliau M, Thion S, Dayma G, Dagaut P.An experimental chemical kinetic study of the oxidation of diethyl ether in a jet-stirred reactor and comprehensive modeling.Combust Flame 2018; 193:453-462.

[226]

Cheng Z, Wang H, Yin W, Wang J, Li W, Wang Z, et al.Experimental and kinetic modeling study of di-n-propyl ether and diisopropyl ether combustion: pyrolysis and laminar flame propagation velocity.Combust Flame 2022; 237:111809.

[227]

Cai L, Sudholt A, Lee DJ, Egolfopoulos FN, Pitsch H, Westbrook CK, et al.Chemical kinetic study of a novel lignocellulosic biofuel: di-n-butyl ether oxidation in a laminar flow reactor and flames.Combust Flame 2014; 161(3):798-809.

[228]

Hakimov K, Arafin F, Aljohani K, Djebbi K, Ninnemann E, Vasu SS, et al.Ignition delay time and speciation of dibutyl ether at high pressures.Combust Flame 2021; 223:98-109.

[229]

Jouzdani S, Zheng X, Zhou A, Akih-Kumgeh B.Shock tube investigation of methyl tert butyl ether and methyl tetrahydrofuran high‐temperature kinetics.Int J Chem Kinet 2019; 51(11):848-860.

[230]

Hu E, Ku J, Yin G, Li C, Lu X, Huang Z.Laminar flame characteristics and kinetic modeling study of ethyl tertiary butyl ether compared with methyl tertiary butyl ether, ethanol, iso-octane, and gasoline.Energy Fuels 2018; 32(3):3935-3949.

[231]

Tran LS, Verdicchio M, Monge F, Martin RC, Bounaceeur R, Sirjean B, et al.An experimental and modeling study of the combustion of tetrahydrofuran.Combust Flame 2015; 162(5):1899-1918.

[232]

Xu N, Tang C, Meng X, Fan X, Tian Z, Huang Z.Experimental and kinetic study on the ignition delay times of 2, 5-dimethylfuran and the comparison to 2-methylfuran and furan.Energy Fuels 2015; 29(8):5372-5381.

[233]

Cheng Z, Niu Q, Wang Z, Jin H, Chen G, Yao M, et al.Experimental and kinetic modeling studies of low-pressure premixed laminar 2-methylfuran flames.Proc Combust Inst 2017; 36(1):1295-1302.

[234]

Fenard Y, Boumehdi MA, Vanhove G.Experimental and kinetic modeling study of 2-methyltetrahydrofuran oxidation under engine-relevant conditions.Combust Flame 2017; 178:168-181.

[235]

Fenard Y, Song H, Minwegen H, Parab P, Mergulh CSão, Vanhove G, et al.2, 5-dimethyltetrahydrofuran combustion: Ignition delay times at high and low temperatures, speciation measurements and detailed kinetic modeling.Combust Flame 2019; 203:341-351.

[236]

Sun W, Wang G, Li S, Zhang R, Yang B, Yang J, et al.Speciation and the laminar burning velocities of poly (oxymethylene) dimethyl ether 3 (POMDME3) flames: an experimental and modeling study.Proc Combust Inst 2017; 36(1):1269-1278.

[237]

He T, Wang Z, You X, Liu H, Wang Y, Li X, et al.A chemical kinetic mechanism for the low- and intermediate-temperature combustion of polyoxymethylene dimethyl ether 3 (PODE3).Fuel 2018; 212:223-235.

[238]

Román-Leshkov Y, Barrett CJ, Liu ZY, Dumesic JA.Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates.Nature 2007; 447:982-985.

[239]

Yang W, Sen A.One‐step catalytic transformation of carbohydrates and cellulosic biomass to 2, 5‐dimethyltetrahydrofuran for liquid fuels.ChemSusChem 2010; 3(5):597-603.

[240]

Zheng Y, Tang Q, Wang T, Liao Y, Wang J.Synthesis of a green fuel additive over cation resins.Chem Eng Technol 2013; 36(11):1951-1956.

[241]

Chen H, Wang H, Chen Z, Zhao H, Geng L, Gao N, et al.Research progress on the spray, combustion and emission of polyoxymethylene dimethyl ethers as a diesel blend fuel: a review.Fuel 2022; 324:124731.

[242]

Houache MS, Yim CH, Karkar Z, Abu-Lebdeh Y.On the current and future outlook of battery chemistries for electric vehicles—mini review.Batteries 2022; 8(7):70.

[243]

Rowden B, Garcia-Araez N.A review of gas evolution in lithium ion batteries.Energy Rep 2020; 6:10-18.

[244]

Wang Q, Jiang L, Yu Y, Sun J.Progress of enhancing the safety of lithium ion battery from the electrolyte aspect.Nano Energy 2019; 55:93-114.

[245]

Hu E, Chen Y, Zhang Z, Pan L, Li Q, Cheng Y, et al.Experimental and kinetic study on ignition delay times of dimethyl carbonate at high temperature.Fuel 2015; 140:626-632.

[246]

Sun W, Yang B, Hansen N, Westbrook CK, Zhang F, Wang G, et al.An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion.Combust Flame 2016; 164:224-238.

[247]

Yu R, Liu J, Wu Y, Tang C, Liang W, Wang H, et al.Experimental and modeling study of the ignition kinetics of dimethyl carbonate.Combust Flame 2022; 246:112465.

[248]

Sun W, Huang C, Tao T, Zhang F, Li W, Hansen N, et al.Exploring the high-temperature kinetics of diethyl carbonate (DEC) under pyrolysis and flame conditions.Combust Flame 2017; 181:71-81.

[249]

Alexandrino K, Alzueta MU, Curran HJ.An experimental and modeling study of the ignition of dimethyl carbonate in shock tubes and rapid compression machine.Combust Flame 2018; 188:212-226.

[250]

Notario R, Quijano J, Sánchez C, V Eélez.Theoretical study of the mechanism of thermal decomposition of carbonate esters in the gas phase.J Phys Org Chem 2005; 18(2):134-141.

[251]

Nakamura H, Curran HJ, Córdoba AP, Pitz WJ, Dagaut P, Togb Cé, et al.An experimental and modeling study of diethyl carbonate oxidation.Combust Flame 2015; 162(4):1395-1405.

[252]

Zhao H, Liu S, Yan C, Huang C, Qi Y, Zhang F, et al.Studies of ozone-sensitized low-and high-temperature oxidations of diethyl carbonate.J Phys Chem A 2021; 125(8):1760-1765.

[253]

Gr CMégoire, Cooper SP, Khan-Ghauri M, Alturaifi SA, Petersen EL, Mathieu O.Pyrolysis study of dimethyl carbonate, diethyl carbonate, and ethyl methyl carbonate using shock-tube spectroscopic co measurements and chemical kinetics investigation.Combust Flame 2023; 249:112594.

[254]

Pokorny V, Stejfa V, Fulem M, Cervinka C, Ruzicka K.Vapor pressures and thermophysical properties of ethylene carbonate, propylene carbonate, γ-valerolactone, and γ-butyrolactone.J Chem Eng Data 2017; 62(12):4174-4186.

[255]

Kanayama K, Gr CMégoire, Cooper SP, Almarzooq Y, Petersen EL, Mathieu O, et al.Experimental and chemical kinetic modeling study of ethylene carbonate oxidation: a lithium-ion battery electrolyte surrogate model.Combust Flame 2024; 262:113333.

[256]

Dong B, Yu Y, Zhu Q, Liu B, Zhang K, Fang J, et al.Experimental study of ethylene carbonate (EC) pyrolysis and oxidation in jet-stirred reactor by SVUV-PIMS.Combust Flame 2025; 274:114002.

[257]

Kanayama K, Takahashi S, Nakamura H, Tezuka T, Maruta K.Experimental and modeling study on pyrolysis of ethylene carbonate/dimethyl carbonate mixture.Combust Flame 2022; 245:112359.

[258]

Cooper SP, Gr CMégoire, Almarzooq YM, Petersen EL, Mathieu O.Experimental kinetics study on diethyl carbonate oxidation.Fuels 2023; 4(2):243-260.

[259]

Takahashi S, Kanayama K, Morikura S, Nakamura H, Tezuka T, Maruta K.Study on oxidation and pyrolysis of carbonate esters using a micro flow reactor with a controlled temperature profile. Part ii: chemical kinetic modeling of ethyl methyl carbonate.Combust Flame 2022; 238:111878.

[260]

Gr CMégoire, Almarzooq YM, Petersen EL, Mathieu O.Experimental and modeling study of the combustion of ethyl methyl carbonate, a battery electrolyte.Combust Flame 2024; 260:113225.

[261]

Moc J, Simmie JM, Curran HJ.The elimination of water from a conformationally complex alcohol: a computational study of the gas phase dehydration of n-butanol.J Mol Struct 2009; 928(1–3):149-157.