Experimental and kinetic modeling study of ammonia addition on PAH characteristics in premixed n-heptane flames

Khalife, 2017, Impacts of additives on performance and emission characteristics of diesel engines during steady state operation, Prog. Energy Combust. Sci., 59, 32, 10.1016/j.pecs.2016.10.001 Liu, 2018, Laser diagnostics and chemical kinetic analysis of PAHs and soot in co-flow partially premixed flames using diesel surrogate and oxygenated additives of n-butanol and DMF, Combust. Flame, 188, 129, 10.1016/j.combustflame.2017.09.025 Wu, 2020, A joint moment projection method and maximum entropy approach for simulation of soot formation and oxidation in diesel engines, Appl. Energy, 258, 114083, 10.1016/j.apenergy.2019.114083 Musculus, 2013, Conceptual models for partially premixed low-temperature diesel combustion, Prog. Energy Combust. Sci., 39, 246, 10.1016/j.pecs.2012.09.001 Kennedy, 2007, The health effects of combustion-generated aerosols, Proc. Combust. Inst., 31, 2757, 10.1016/j.proci.2006.08.116 Wang, 2020, Characterisation of soot particle size distribution through population balance approach and soot diagnostic techniques for a buoyant non-premixed flame, J. Energy Inst., 93, 112, 10.1016/j.joei.2019.04.004 Durant, 1996, Human cell mutagenicity of oxygenated, nitrated and unsubstituted polycyclic aromatic hydrocarbons associated with urban aerosols, Mutat. Res. Genetic Toxicol., 371, 123, 10.1016/S0165-1218(96)90103-2 Howard, 1995, Effects of PAH isomerizations on mutagenicity of combustion products, Combust. Flame, 101, 262, 10.1016/0010-2180(94)00210-J Wang, 2019, Soot formation in laminar counterflow flames, Prog. Energy Combust. Sci., 74, 152, 10.1016/j.pecs.2019.05.003 Menon, 2007, Addition of NO2 to a laminar premixed ethylene–air flame: effect on soot formation, Proc. Combust. Inst., 31, 593, 10.1016/j.proci.2006.08.105 Westbrook, 2006, Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines, J. Phys. Chem. A, 110, 6912, 10.1021/jp056362g Yan, 2019, On the opposing effects of methanol and ethanol addition on PAH and soot formation in ethylene counterflow diffusion flames, Combust. Flame, 202, 228, 10.1016/j.combustflame.2019.01.020 Wang, 2020, Insights on the effect of ethanol on the formation of aromatics, Fuel, 264, 116773, 10.1016/j.fuel.2019.116773 Dias, 2014, The influence of ethanol addition on a rich premixed benzene flame at low pressure, Combust. Flame, 161, 2297, 10.1016/j.combustflame.2014.03.005 Kohse-Höinghaus, 2007, The influence of ethanol addition on premixed fuel-rich propene–oxygen–argon flames, Proc. Combust. Inst., 31, 1119, 10.1016/j.proci.2006.07.007 Liu, 2019, Effect of diesel/PODE/ethanol blends on combustion and emissions of a heavy duty diesel engine, Fuel, 257, 116064, 10.1016/j.fuel.2019.116064 Yoon, 2008, Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation, Combust. Flame, 154, 368, 10.1016/j.combustflame.2008.04.019 Pepiot-Desjardins, 2008, Structural group analysis for soot reduction tendency of oxygenated fuels, Combust. Flame, 154, 191, 10.1016/j.combustflame.2008.03.017 Li, 2020, Role of dimethyl ether in incipient soot formation in premixed ethylene flames, Combust. Flame, 216, 271, 10.1016/j.combustflame.2020.03.004 Zheng, 2016, Effects of six-carbon alcohols, ethers and ketones with chain or ring molecular structures on diesel low temperature combustion, Energy Convers. Manag., 124, 480, 10.1016/j.enconman.2016.07.057 Kwon, 2020, Sooting tendencies of 20 bio-derived fuels for advanced spark-ignition engines, Fuel, 276, 118059, 10.1016/j.fuel.2020.118059 Lemaire, 2015, Analysis of the sooting propensity of C-4 and C-5 oxygenates: Comparison of sooting indexes issued from laser-based experiments and group additivity approaches, Combust. Flame, 162, 3140, 10.1016/j.combustflame.2015.03.018 Kobayashi, 2019, Ekenechukwu C. Okafor, Science and technology of ammonia combustion, Proc. Combust. Inst., 37, 109, 10.1016/j.proci.2018.09.029 Kumar, 2013, Experimental and modeling study of chemical-kinetics mechanisms for H2–NH3–air mixtures in laminar premixed jet flames, Fuel, 108, 166, 10.1016/j.fuel.2012.06.103 Shu, 2019, A shock tube and modeling study on the autoignition properties of ammonia at intermediate temperatures, Proc. Combust. Inst., 37, 205, 10.1016/j.proci.2018.07.074 Han, 2020, The temperature dependence of the laminar burning velocity and superadiabatic flame temperature phenomenon for NH3/air flames, Combust. Flame, 217, 314, 10.1016/j.combustflame.2020.04.013 Xiao, 2020, Study on counterflow premixed flames using high concentration ammonia mixed with methane, Fuel, 275, 117902, 10.1016/j.fuel.2020.117902 He, 2019, Auto-ignition kinetics of ammonia and ammonia/hydrogen mixtures at intermediate temperatures and high pressures, Combust. Flame, 206, 189, 10.1016/j.combustflame.2019.04.050 Hayakawa, 2015, Laminar burning velocity and Markstein length of ammonia/air premixed flames at various pressures, Fuel, 159, 98, 10.1016/j.fuel.2015.06.070 Dai, 2020, Autoignition studies of NH3/CH4 mixtures at high pressure, Combust. Flame, 218, 19, 10.1016/j.combustflame.2020.04.020 Li, 2019, Analysis of air-staged combustion of NH3/CH4 mixture with low NOx emission at gas turbine conditions in model combustors, Fuel, 237, 50, 10.1016/j.fuel.2018.09.131 Xiao, 2017, Study on premixed combustion characteristics of co-firing ammonia/methane fuels, Energy, 140, 125, 10.1016/j.energy.2017.08.077 Han, 2019, Experimental and kinetic modeling study of laminar burning velocities of NH3/air, NH3/H2/air, NH3/CO/air and NH3/CH4/air premixed flames, Combust. Flame, 206, 214, 10.1016/j.combustflame.2019.05.003 Gross, 2013, Performance characteristics of a compression-ignition engine using direct-injection ammonia–DME mixtures, Fuel, 103, 1069, 10.1016/j.fuel.2012.08.026 Ryu, 2014, Performance characteristics of compression-ignition engine using high concentration of ammonia mixed with dimethyl ether, Appl. Energy, 113, 488, 10.1016/j.apenergy.2013.07.065 Bockhorn, 1981, Measurement of the soot concentration and soot particle sizes in propane oxygen flames, Symp. Combust., 18, 1137, 10.1016/S0082-0784(81)80118-X Bennett, 2020, Soot formation in laminar flames of ethylene/ammonia, Combust. Flame, 220, 210, 10.1016/j.combustflame.2020.06.042 Renard, 2009, Flame structure studies of rich ethylene–oxygen–argon mixtures doped with CO2, or with NH3, or with H2O, Proc. Combust. Inst., 32, 631, 10.1016/j.proci.2008.06.035 Desgroux, 2013, Study of the formation of soot and its precursors in flames using optical diagnostics, Proc. Combust. Inst., 34, 1713, 10.1016/j.proci.2012.09.004 Zhang, 2018, Experimental and kinetic study of the effects of CO2 and H2O addition on PAH formation in laminar premixed C2H4/O2/Ar flames, Combust. Flame, 192, 439, 10.1016/j.combustflame.2018.01.050 Li, 2020, Study of PAH formation in laminar premixed toluene and C8H10 aromatics flames, Fuel, 275, 117774, 10.1016/j.fuel.2020.117774 Zhang, 2019, Investigation on the chemical effects of dimethyl ether and ethanol additions on PAH formation in laminar premixed ethylene flames, Fuel, 256, 115809, 10.1016/j.fuel.2019.115809 Liu, 2018, Chemical Mechanism of Exhaust Gas Recirculation on Polycyclic Aromatic Hydrocarbons Formation based on Laser-Induced Fluorescence Measurement, Energy Fuel, 32, 7112, 10.1021/acs.energyfuels.8b00422 Okafor, 2018, Experimental and numerical study of the laminar burning velocity of CH4–NH3–air premixed flames, Combust. Flame, 187, 185, 10.1016/j.combustflame.2017.09.002 Takizawa, 2008, Burning velocity measurements of nitrogen-containing compounds, J. Hazard. Mater., 155, 144, 10.1016/j.jhazmat.2007.11.089 Li, 2020, Effects of ammonia addition on PAH formation in laminar premixed ethylene flames based on laser-induced fluorescence measurement, Energy, 213, 118868, 10.1016/j.energy.2020.118868 Singh, 2016, PAH formation in counterflow non-premixed flames of butane and butanol isomers, Combust. Flame, 170, 91, 10.1016/j.combustflame.2016.05.009 Lee, 2004, Synergistic effect on soot formation in counterflow diffusion flames of ethylene–propane mixtures with benzene addition, Combust. Flame, 136, 493, 10.1016/j.combustflame.2003.12.005 Liu, 2015, The Diagnostics of Laser-Induced Fluorescence (LIF) Spectra of PAHs in Flame with TD-DFT: special Focus on Five-Membered Ring, J. Phys. Chem. A, 119, 13009, 10.1021/acs.jpca.5b10114 Chen, 2017, Soot reduction effects of the addition of four butanol isomers on partially premixed flames of diesel surrogates, Combust. Flame, 177, 123, 10.1016/j.combustflame.2016.12.012 Zhang, 2020, LIF diagnostics for selective and quantitative measurement of PAHs in laminar premixed flames, Combust. Flame, 222, 5, 10.1016/j.combustflame.2020.08.018 ANSYS, 2015 Cai, 2019, Impact of exhaust gas recirculation on ignition delay times of gasoline fuel: an experimental and modeling study, Proc. Combust. Inst., 37, 639, 10.1016/j.proci.2018.05.032 Wullenkord, 2020, Laminar premixed and non-premixed flame investigation on the influence of dimethyl ether addition on n-heptane combustion, Combust. Flame, 212, 323, 10.1016/j.combustflame.2019.11.012 Curran, 2002, A comprehensive modeling study of iso-octane oxidation, Combust. Flame, 129, 253, 10.1016/S0010-2180(01)00373-X Glarborg, 2018, Modeling nitrogen chemistry in combustion, Prog. Energy Combust. Sci., 67, 31, 10.1016/j.pecs.2018.01.002 Wang, 2018, A physics-based approach to modeling real-fuel combustion chemistry - I. Evidence from experiments, and thermodynamic, chemical kinetic and statistical considerations, Combust. Flame, 193, 502, 10.1016/j.combustflame.2018.03.019 Xu, 2018, A physics-based approach to modeling real-fuel combustion chemistry – II. Reaction kinetic models of jet and rocket fuels, Combust. Flame, 193, 520, 10.1016/j.combustflame.2018.03.021 Tao, 2018, A Physics-based approach to modeling real-fuel combustion chemistry – III. Reaction kinetic model of JP10, Combust. Flame, 198, 466, 10.1016/j.combustflame.2018.08.022 Koban, 2004, Absorption and fluorescence of toluene vapor at elevated temperatures, Phys. Chem. Chem. Phys., 6, 2940, 10.1039/b400997e Zhang, 2018, Measurement and extrapolation modeling of PAH laser-induced fluorescence spectra at elevated temperatures, Appl. Phys. B, 125, 6, 10.1007/s00340-018-7115-6 Castaldi, 1996, Experimental and modeling investigation of aromatic and polycyclic aromatic hydrocarbon formation in a premixed ethylene flame, Symp. Combust., 26, 693, 10.1016/S0082-0784(96)80277-3 Bejaoui, 2014, Laser induced fluorescence spectroscopy of aromatic species produced in atmospheric sooting flames using UV and visible excitation wavelengths, Combust. Flame, 161, 2479, 10.1016/j.combustflame.2014.03.014