Publications

Bin-Khalid, U.; Lopez-Pintor, D.; Micó, C.; Lee, S., Potential of 2-ethylhexyl nitrate (EHN) and di-tert-butyl peroxide (DTBP) to enhance the cetane number of ethanol, a detailed chemical kinetic study. Fuel 2024, 363, 130928.

Buurman, N.J.; Nyrenstedt, G.; Mueller, C.J., Ducted Fuel Injection Provides Consistently Lower Soot Emissions in Sweep to Full-Load Conditions. SAE Int. J. Engines 2024, 17 (1), 3-16.

Di Sabatino, F.; Wan, K.; Manin, J.; Capil, T.; Hicks, Y.; Gander, A.; Crua, C., The Role of Diffusive Mixing in Current and Future Aviation Fuels at Relevant Operating Conditions. J. Eng. Gas Turb. Pwr. 2024, 146 (5).

Dec, J. E.; Pintor, D. L.; Vijayagopal, R., Practical low-temperature gasoline combustion for very high efficiency off-road, medium- and heavy-duty engines. Intl. Jour. Eng. Res. 2024, 0 (0).

García-Oliver, J.M.; Novella, R., Micó, C., Bin-Khalid, U., Lopez-Pintor, D., A numerical analysis of hydrotreated vegetable oil and dimethoxymethane (OME1) blends combustion and pollutant formation through the development of a reduced reaction mechanism. Int. J. Eng. Res. 2024.

Giannelli, R.; Stevens, J.; Kinsey, J.S.; Kittelson, D.; Zelenyuk, A.; Howard, R.; Forde, M.; Hoffman, B.; Leggett, C.; Maeroff, B.; Bies, N.; Swanson, J.; Suski, K.; Payne, G.; Manin, J.; Frazee, R.; Onasch T.B.; Freedman, A.; Khalek, I.; Badshah, H.; Preece, D.; Premnath, V.; Agnew, S., Evaluation of methods fro characterizing the find particulate matter emissions from aircraft and other diffusion flame combustion aerosol sources. J. Aerosol Sci., 2024, 178, 106352.

Guo, H.; Torelli, R; Kim, N.; Reuss, D.L.; Sjöberg, M., In-cylinder spray evolution in a motored central-injection gasoline engine: Imaging and simulating the effects of flash-boiling and intake crossflow. Int. J. Eng. Res. 2024.

Hack, J. H.; Lewis, N. H. C.; Knight, S.; Carpenter, W. B.; De Marco, L.; Ramasesha, K.; Tokmakoff, A., Generation and Implementation of Continuum Infrared Pulses for Broadband Detection in 2D IR Spectroscopy. J. Phys. Chem. A 2024, 128 (24), 4901-4910.

Hansen, N. A.; Price, T. D.; Filardi, L. R.; Gurses, S. M.; Zhou, W. Q.; Hansen, N.; Osborn, D. L.; Zador, J.; Kronawitter, C. X., The photoionization of methoxymethanol: Fingerprinting a reactive C₂ oxygenate in a complex reactive mixture. J. Chem. Phys. 2024, 160 (12), 124306.

Hwang, J.; Karathanassis, I.K.; Koukouvinis, P.; Nguyen, T.; Tagliante, F.; Pickett, L.M.; Sforzo, B.A.; Powell, C.F., Spray process of multi-component gasoline surrogate fuel under ECN Spray G conditions. Int. J. of Multiphase Flow 2024, 104753.

Hockey, E. K.; McLane, N.; Martí, C.; Duckett, L.; Osborn, D. L.; Dodson, L. G., Direct Observation of Gas-Phase Hydroxymethylene: Photoionization and Kinetics Resulting from Methanol Photodissociation. J. Amer. Chem. Soc. 2024, 146 (21), 14416-14421.

Jung, K. S.; Kumar, A.; Echekki, T.; Chen, J. H., On the application of principal component transport for compression ignition of lean fuel/air mixtures under engine relevant conditions. Comb. and Flame 2024, 260, 113204.

Lang, J. X.; Foley, C. D.; Thawoos, S.; Behzadfar, A.; Liu, Y. N.; Zador, J.; Suits, A. G., Reaction dynamics of S(³P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations. Faraday Disc. 2024.

Large, T. A. L.; Kliewer, C. J., Sensitive detection and imaging of H₂O density through Rydberg resonant femtosecond laser induced photofragmentation fluorescence. J. Chem. Phys. 2024, 160 (20), 201102.

Lee, S.; Lopez-Pintor, D.; Cho, S., Methanol Mixing-Controlled Compression Ignition with Ignition Enhancer for Off-Road Engine Operation. SAE Technical Paper 2024, 2024-01-2701.

Liu, X.; Im, H.G.; Mueller, C.J.; Nyrenstedt, G., A computational parametric study of ducted fuel injection implementation in a heavy-duty diesel engine. Fuel 2024, 358, 130228.

Lopez-Pintor, D; Abboud, R.; MacDonald, J.; Lee, S., Effect of Cyclo-Pentane Impurities on the Autoignition Reactivity and Properties of a Gasoline Surrogate Fuel. SAE Technical Paper 2024, 2024-01-5021.

Lopez-Pintor, D.; MacDonald, J.; Lee, S., From Idle to 7.5 bar IMEPg-Using Fuel Stratification to Control LTGC with Next-Cycle Capability. SAE Technical Paper 2024, 2024-01-2821.

Liu, S. Y.; Wang, H. O.; Chen, J. H.; Luo, K.; Fan, J. R., High-resolution reconstruction of turbulent flames from sparse data with physics-informed neural networks. Combustion and Flame 2024, 260, 113275.

MacDonald, J.; Lopez-Pintor, D.; Matsubara, N.; Kitano, K.; Yamada, R., Effects of Ethanol Blending on the Reactivity and Laminar Flame Speeds of Gasoline, Methanol-to-Gasoline, and Ethanol-to-Gasoline Surrogates. SAE Technical Paper 2024, 2024-01-2817.

Martí, C.; Devereux, C.; Najm, H. N.; Zádor, J., Evaluation of Rate Coefficients in the Gas Phase Using Machine-Learned Potentials. Jour. of Phys. Chem. A 2024, 128 (10), 1958-1971.

Oh, H.; Hwang, J.; White, L.; Pickett, L.M., Influence of plume arrangement on spray collapsing process in lateral-cylinder-mounted gasoline injectors. Applied Thermal Engineering 2024.

Owen, L. D.; Ge, W. J.; Rieth, M.; Arienti, M.; Esclapez, L.; Soriano, B. S.; Mueller, M. E.; Day, M.; Sankaran, R.; Chen, J. H., PeleMP: The Multiphysics Solver for the Combustion Pele Adaptive Mesh Refinement Code Suite, ASME, J. Fluids Eng. 2024, 146 (4), 041103.

Park, J; Hwang, J.; Manin, J.; Sim, H.-S., Synchronized 100-kHz Planar laser Induced Fluorescence and Schlieren Imaging of High-Pressure Spray Flames. AAIA SCITECH 2024 Forum 2024, 2779.

Perez, C.; Ellis, S. R.; Alcorn, F. M.; Smoll, E. J.; Fuller, E. J.; Leonard, F.; Chandler, D.; Talin, A. A.; Bisht, R. S.; Ramanathan, S.; Goodson, K. E.; Kumar, S., Picosecond carrier dynamics in InAs and GaAs revealed by ultrafast electron microscopy. Sci. Adv. 2024, 10 (20).

Rodriguez, R.; Taatjes, C. A.; Meloni, G., Absolute Photoionization Cross Section and Dissociative Ionization Pathways of Alpha-Pinene. ChemPhysChem 2024, 25 (6).

Savarese, M.; Jung, K. S.; Dave, H.; Chen, J. H.; Parente, A., A new index for the comparative evaluation of combustion local low-dimensional manifolds. Combustion and Flame 2024, 265, 113434.

Sheps, L.; Au, K., New Instrument for Time-Resolved OH and HO₂ Quantification in High-Pressure Laboratory Kinetics Studies. Jour. Phys. Chem A 2024, 128 (19), 3916-3925.

Singh, E.; Strickland, T.; Abboud, R.; MacDonald, J.; Lee, S.; Lopez-Pintor, D., Deflagration-based Knock of Methanol SI Combustion and its Implication for Combustion Noise. SAE Technical Paper 2024, 2024-01-2819.

Wan, K.; Manin, J., Detailed mixing measurements from single-hole converging ECN injectors using Rayleigh scattering. Int. J. Heat and Mass Transfer 2024, 221, 125087.

Wiesmann, F.; Nguyen, T. M.; Manin, J.; Pickett, L. M.; Wan, K. V.; Tagliante, F.; Lauer, T., LES and RANS Spray Combustion Analysis of OME_3-5 and n-Dodecane. Energies 2024, 17 (10), 2265.

Welsh, B. A.; Urbina, A. S.; Ho, T. A.; Rempe, S. L.; Slipchenko, L. V.; Zwier, T. S., Capturing CO₂ in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO₂) _n , n=1,2. Jour. Phys. Chem. A 2024, 128 (6), 1124-1133.

Yraguen, B. F.; Steinberg, A. M.; Nilsen, C. W.; Wengrove, D. E.; Mueller, C. J., Parametric evaluation of ducted fuel injection in an optically accessible mixing-controlled compression-ignition engine with two- and four-duct assemblies. Intl. Jour. Eng. Res. 2024, 25 (2), 245-261.

Zhou, W.; Zhang, L.; Sheshukov, A.; Wang, J.; Zhu, M.; Sargsyan, K.; Xu, D.; Liu, D.; Zhang, T.; Mazepa, V.; Sokolov, A.; Valdayskikh, V.; Ivanov, V., Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling. Earth and Space Science 2024, 11 (3).

Assanis, D.; Hwang, J.; Guleria, G.; Lopez-Pintor, D.; Whitesides, R.; Wagnon, S., Quantitative Validation of the Computational Fluid Dynamics Methodology for Gasoline Sprays Under Cold Start Conditions. Proceedings of the ASME ICEF2023 Conference, Technical Paper ICEF2023-110054 2023.

Bachalo, W.D.; Manin, J.; Payne, G.; Fidrich, M.; Ibrahim, K., High Resolution Cloud Particle Imaging Incorporating State-of-the-Art Digital Cameras with Pulsed LED Illumination. SAE Technical Paper 2023, 2023-01-1421.

Baran, O.; Karathanassis, I.K.; Koukouvinis, P.; Hwang, P.; Pickett, L.M.; Spivey, D.; Gavaises, M., Assessment of injector-flow characteristics of additised and renewable diesel blends through high-speed imaging. Fuel 2023, 352.

Cho, S.; Lopez-Pintor, D.; Sofianopoulos, A., A skeletal mechanism for gasoline surrogates; Development, validation, and CFD application. Fuel 2023, 332, 126236.

Cho, S.; Wu, A.; Kim, N.; Busch, S.; Lopez-Pintor, D.; Formation of CH2O and UHC emission during catalyst-heating operation in compression ignition engines: High-speed FID and mid-IR extinction diagnostics. Fuel 2023, 342, 127832.

Cho, S.; Wu, A.; Lopez-Pintor, D., Understanding Hydrocarbon Emissions to Improve the Performance of Catalyst-Heating Operation in a Medium-Duty Diesel Engine. SAE Technical Paper 2023, 2023-01-0262.

Crua, C.; Manin, J.; Skeen, S.; Pickett, L.M., Transcritical mixing of fuels at reactive conditions. SAE Technical Paper 2023, 2023-32-0117.

Decanay, L.F.; Wan, K.; Manin, J.; Gass, I.A., Ledoux, A.; Estel, L.; Crua, C., Effects of superheated flash-boiling atomisation on spray carbon capture performance. ILASS-Europe 2023.

Dec, J.E.; Lopez-Pintor, D.; Gentz, G.R., Additive-Mixing Fuel Injection (AMFI), A Device for Robust Control and Improved performance of High-Efficiency LTGC Engines. Intl. J. Eng. Res. 2023, 24 (8).

Dec, J.E.; Lopez-Pintor, D.; Vijayagopal, R., A Viable Approach to Low-Temperature Gasoline Combustion for Off-Road, Medium- and Heavy-Duty Transportation. Proceedings of the 44th International Vienna Motor Symposium 2023.

Di Sabatino, F.; Manin, J.; Wan, K., Single-Hole Atomizer (SHA) Research: A New Way to Study Spray Flame Dynamics and Soot Formation for Aero-engine Combustion. AIAA SCITECH 2023 Forum 2023, 2046.

Fitzgerald, R.P.; Dempsey, A.B.; Barlow, R.S.; Nilsen, C.W.; Yraguen, B.F.; Mueller, C.J., Fast Exhaust-Runner Soot Measurements in a Diesel Optical Engine. SAE Int. Jour. of Eng. 2023, 16 (4).

Garcia-Oliver, J.M.; Novella, R.; Lopez-Pintor, D.; Mico, C.; Bin-Khalid, U., A numerical approach for the analysis of Hydrotreated Vegetable Oil and Dimethoxy methane blends as low-carbon alternative fuel in compression ignition engines. SAE Technical Paper 2023, 2023-01-0338.

Geber, E.; Rodriguez, C.; Karathanassis, I.K.; López-Pintor, D.; Manin, J.; Pickett, L.; Gavaises, M., A general predictive methodology for fuel-mixture properties up to supercritical conditions. Fluid Phase Equilibria 2023, 574, 113888.

Guleria, G.; Lopez-Pintor, D.L.; Dec, J.; Assanis, D., Development of a skeletal mechanism for EHN-gasoline mixtures and valuation under HCCI conditions using large eddy simulations. Intl. J. Eng. Res. 2023, 24 (9).

Kim, J.; Ameen, M.; Scarcelli, R.; Kim, N.; Singh, E.; Sjoberg, M., Evaluation of Spray and Combustion Models for Simulating Dilute Combustion in a Direct-Injection Spark-Ignition Engine. ASME J. Eng. Gas Turb. Pwr. 2023, 145 (8), 081006.

Kim, N.; Reuss, D.L.; Sjoberg, M., Assessment of an E10 gasoline surrogate: Qualitative and quantitative comparisons of in-cylinder spray morphology. Intl. J. Eng. Res. 2023, 24 (8), 3460-3477.

Laichter, J.; Kaiser, S.A.; Rajasegar, R.; Srna, A., Optical Investigation of Mixture Preparation in a Hydrogen-Fueled Heavy-Duty Engine with Direct-Injection. SAE Technical Paper 2023, 2023-01-0240.

Laichter, J.; Rajasegar, R.; Kaiser, S.A.; Srna, A., Impact of Mixture Inhomogeneity and Ignition Location on Early Flame Kernal Evolution in a Direct-Injection Hydrogen-Gueled Heavy-Duty Optical Engine. SAE Technical Paper 2023, 2023-32-0044.

Lee, K.; Lopez-Pintor, D.; Assanis, D.; Cho, S.; Hwang, J., Fuel temperature and injection pressure influence on the cold start GDI sprays. Applications in Energy and Combustion Science 2023, 16, 100206.

Lopez-Pintor, D.; Busch, S.; Wu, A.; Nguyen, T.; Hwang, J.; Cho, S., Catalyst-heating operation in compression-ignition engines: A comprehensive understanding using large eddy simulations. Appl. in Ener. and Combus. Sci. 2023, 16, 100203.

Lopez-Pintor, D.; Dec, J.; Cho, S., Performance of octane index in STGC engines from beyond MON to beyond RON. Fuel 2023, 341, 127625.

Maes, N.; Tagliante, F.; Sim, H. S.; Meijer, M,; Manin, J.; Pickett, L.M., Considerations for the temperature stratification in a pre-burn constant-volume combustion chamber.  Exp. Therm. Fluid Sci. 2023, 144, 110866.

MacDonald, J.R.; White, L.; Ekoto, I.; Pickett, L.; Oh, H.; Han, D., Characterization of High-Tumble Flow Effects on Early Injection for a Lean-Burn Gasoline Engine. SAE Technical Paper 2023, 2023-01-0238.

Manin, J.; Wan, K., Investigating molecular decomposition via high-speed laser-induced Rayleigh scattering. SAE Technical Paper 2023, 2023-32-0118.

Nyrenstedt, G.; Nilsen, C.W.; Biles, D.E.; Mueller, C.J., Ducted Fuel Injection with Low-Net-Carbon Fuels as a Solution for Meeting Future Emissions Regulations. Fuel 2023, 338, 127167.

O’Donnell, P.C.; Lawler, B.; Lopez-Pintor, D.; Dec, J.; Sofianopoulos, A., Effects of injection pressure and timing on low load Low Temperature Gasoline Combustion using LES. Applied Thermal Eng. 2023, 232, 121001.

O’Donnell, P.C.; Lawler, B.; Sofianopoulos, A.; Lopez-Pintor, D., Effects of injector included angle on Low Load Low Temperature Gasoline Combustion using LES. SAE Technical Paper 2023, 2023-01-0270.

Payri, R.; Garcia-Olivier, J.M.; Novella, R.; Pastro, J.M.; Lopez-Pintor, D.; Shang, W., Application of an Optimized Mechanism of Primary Reference Fuel to Single Hole Sprays. Proceedings of the ILASS-Europe 2023, Paper Number: FCS 5.16.

Pickett, L.M.; Manin, J.; Di Sabatino, F.; Nguyen, T.; Kook, S., Mimicking gas-turbine spray combustion in a constant-volume premixed combustion vessel. AIAA SCITECH 2023 Forum 2023.

Rajasegar, R.; Srna, A., Effect of Spray Collapse on Mixture Preparation and Combustion Characteristics of a Spark-Ignition Heavy-Duty Diesel Optical Engine Fueled with Direct-Injected Liquefied Petroleum Gas (LPG). SAE Technical Paper 2023, 2023-01-0323.

Rajasegar, R.; Srna, A.; Lee, T., Impact of Hydrogen on the Ignition and Combustion Behavior of Diesel Sprays in a Dual Fuel, Diesel-piloted, Premixed Hydrogen Engine. SAE Technical Paper 2023, 2023-24-0061.

Rajasegar, R.; Srna, A.; Novella, R.; Barbery, I., Exploring the EGR Dilution Limits of a Pre-Chamber Ignited Heavy-Duty Natural Gas Engine Operated at Stoichiometry – An Optical Study. SAE Technical Paper 2023, 2023-01-0256.

Rajasegar, R.; Srna, A.; Novella, R.; Barbery, I., On the Phenomenology of Hot-Spot Induced pre-Ignition in a Direct-Injection Hydrogen-Fueled, Heavy-Duty, Optical-Engine. SAE Technical Paper 2023, 2023-32-0169.

Rorimpandy, P.; Yip, H.L.; Srna, A.; Zhai, G.; Wehrfritz, A.; Kook, S.; Hawkes, E.R., Chan, Q.N., Hydrogen-diesel dual-fuel direct-injection (H2DDI) combustion under compression-ignition engine conditions. Int. J. Hydr. Ener. 2023, 48 (2), 766-783.

Saltzman, A. J.; Brown, A. D.; Wan, K.; Manin, J.; Pickett, L. M.; Welliver, M. C.; Guildenbecher, D. R.; Extinction Imaging Diagnostics for In Situ Quantification of Soot within Explosively Generated Fireballs. Propel. Explo. Pyro. 2023, 48 (3).

Sener, R.; Nilsen, C.W.; Biles, D.E.; and Mueller, C.J., A Computational Investigation of Engine Heat Transfer with Ducted Fuel Injection. Int. J. Eng. Res. 2023.

Sim, H. S.; Maes, N.; Pickett, L. M.; Skeen, S. A.; Manin, J., High-speed formaldehyde planar laser-induced fluorescence and schlieren to assess influences of injection pressure and oxygen concentration on Spray A flames. Combust. Flame 2023, 253, 112806.

Singh, E.; Kim, N.; Vuilleumier, D.; Skeen, S.; Cenker, E.; Sjoberg, M.; Pickett, L., Particulate Matter Emissions in Gasoline Direct-Injection Spark-Ignition Engines: Sources, Fuel Dependency, and Quantities. Fuel 2023, 338, 127198.

Sjoberg, M., An Examination of Sensing Skins with Tailored Conductivity Distributions for Enhanced 2-D Surface Temperature Measurements Using Electrical Impedance tomography (EIT). SAE Technical Paper 2023, 2023-01-1680.

Strickland, T.; Lopez-Pintor, D.; Matsubara, N.; Kaneko, K.; Kitano, K., Adapting Dimensionless Numbers Developed for Knock Prediction Under Homogeneous Conditions to Ultra-Lean Spark Ignition Conditions. SAE Technical Paper 2023, 2023-32-0008.

Strickland, T.; Sjoberg, M.; Matsubara, N.; Kitano, K.; Kaneko, K., CFD-Based Assessment of the Effect of End-Gas Temperature Stratification on Acoustic Knock Generation in an Ultra-Lean Burn Spark Ignition Engine. SAE Technical Paper 2023, 2023-01-0250.

Tagliante, F.; Nguyen, T.M.; Dhanji, M.P.; Sim, H.S.; Pickett, L.M.; Manin, J.; Kukkadapu, G.; Whitesides, R.; Wan, K., The role of cool-flame fluctuations in high-pressure spray flames, studied using high-speed optical diagnostics and Large-Eddy Simulations. Proc. Combust. Inst. 2023, 39 (4), 4871-4879.

Vander Wal, R.L.; Singh, M.; Bachalo, W.; Payne, G.; Manin, J.; Howard, R., Pulsed laser heating of diesel engine and turbojet combustor soot: Changes in nanostructure and implications. Aerosol Sci. Tech. 2023, 57 (10), 1044-1056.

White, L.; Manin, J.; Pickett, L., High-speed low-coherence interferometry of fuel films in impinging gasoline direct injection sprays. Int. J. Eng. Res. 2023, 24 (10), 4382-4395.

Wimer, N. T.; Esclapez, L.; Brunhart-Lupo, N.; Henry de Frahan, M.; Rahimi, M.; Hassanaly, M.; Rood, J.; Yellapantula, S.; Sitaraman, H.; Perry, B.;, Martin, M.; Doronina, O.; Appukuttan, S. N.; Rieth, M.; Day, M., Visualizations of a methane/diesel RCCI engine using PeleC and PeleLMeX. Phys. Rev. Fluids 2023, 8, 110511.

Yip, H.L.; Srna, A.; Zhai, G.; Wehrfritz, A.; Kook, S.; Hawkes, E.R.; Chan, Q.N., Laser-induced plasma-ignited hydrogen jet combustion in engine-relevant conditions. Int. J. Hydr. Ener. 2023, 48 (4), 1568-1581.

Yraguen, B.F.; Steinberg, A.M.; Nilsen, C.W.; Biles, D.E.; and Mueller, C.J., Parametric Evaluation of Ducted Fuel Injection in an Optically Accessible Mixing-Controlled Compression-Ignition Engine with Two- and Four-Duct Assemblies. Int. J. Eng. Res. 2023.

Cole-Filipiak, N. C.; Tross, J.;  Schrader, P.;  McCaslin, L. M.; Ramasesha, K., Ultrafast infrared transient absorption spectroscopy of gas-phase Ni(CO)(4) photodissociation at 261 nm. J. Chem. Phys. 2022, 156 (14), 13.

Diaz-Ibarra, O.; Kim, K.;  Safta, C.;  Zador, J.; Najm, H. N., Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis. Combustion Theory and Modelling 2022, 26 (2), 201-227.

Fischer, J. L.; Blodgett, K. N.;  Harrilal, C. P.;  Walsh, P. S.;  Davis, Z. S.;  Choi, S.;  Choi, S. H.; Zwier, T. S., Conformer-Specific Spectroscopy and IR-Induced Isomerization of a Model gamma-Peptide: Ac-gamma(4)-Phe-NHMe. J. Phys. Chem. A 2022, 126 (11), 1837-1847.

Rösch, D.; Almeida, R.;  Sztaray, B.; Osborn, D. L., High-Resolution Double Velocity Map Imaging Photoelectron Photoion Coincidence Spectrometer for Gas-Phase Reaction Kinetics. J. Phys. Chem. A 2022, 126 (10), 1761-1774.

Yraguen, B.F.; Steinberg, A.M.; Nilsen, C.W.; Biles, D.E.; Mueller, C.J., Parametric Evaluation of Ducted Fuel Injection in an Optically Accessible Mixing-Controlled Compression-Ignition Engine with Two- and Four-Duct Assemblies. THIESEL 2022 Conference on Thermo- and Fluid Dynamics of Clean Propulsion Powerplants (Valencia, Spain), Sept. 13-16, 2022.

Barlow, R. S.;  Hartl, S.;  Hasse, C.;  Cutcher, H. C.; Masri, A. R., Characterization of multi-regime reaction zones in a piloted inhomogeneous jet flame with local extinction. Proc. Combust. Inst. 2021, 38 (2), 2571-2579.

Baroncelli, M.; Mao, Q.;  Pitsch, H.; Hansen, N., Effects of C₁-C₃ hydrocarbon blending on aromatics formation in 1-butene counterflow flames. Combust. Flame 2021, 230.

Bierkandt, T.; Hoener, M.;  Gaiser, N.;  Hansen, N.;  Koehler, M.; Kasper, T., Experimental flat flame study of monoterpenes: Insights into the combustion kinetics of alpha-pinene, beta-pinene, and myrcene. Proc. Combust. Inst. 2021, 38 (2), 2431-2440.

Blöndal, K.; Sargsyan, K.;  Bross, D. H.;  Ruscic, B.; Goldsmith, C. F., Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties. J. Phys. Chem. C 2021, 125 (37), 20249-20260.

Braun-Unkhoff, M.; Hansen, N.;  Dietrich, M.;  Methling, T.;  Moshammer, K.; Yang, B., Entanglement of n- heptane and iso- butanol chemistries in flames fueled by their mixtures. Proc. Combust. Inst. 2021, 38 (2), 2387-2395.

Casey, T. A.; Khalil, M.; Najm, H. N., Inference and combination of missing data sets for the determination of H₂O₂ thermal decomposition rate uncertainty. Combust. Flame 2021, 232, 111507.

Caster, K. L.; Selby, T. M.;  Osborn, D. L.;  Le Picard, S. D.; Goulay, F., Product Detection of the CH(X²Π) Radical Reaction with Cyclopentadiene: A Novel Route to Benzene. J. Phys. Chem. A 2021, 125 (32), 6927-6939.

Chen, B.; Ilies, D. B.;  Hansen, N.;  Pitsch, H.; Sarathy, S. M., Simultaneous production of ketohydroperoxides from low temperature oxidation of a gasoline primary reference fuel mixture. Fuel 2021, 288.

Chen, B.; Kruse, S.;  Schmid, R.;  Cai, L.;  Hansen, N.; Pitsch, H., Oxygenated PAH Formation Chemistry Investigation in Anisole Jet Stirred Reactor Oxidation by a Thermodynamic Approach. Energy & Fuels 2021, 35 (2), 1535-1545.

Chen, B. J.; Liu, P.;  Li, Z. P.;  Hansen, N.;  Roberts, W. L.; Pitsch, H., Furan formation pathways exploration in low temperature oxidation of 1,3-butadiene, trans-2-butene, and cis-2-butene. Combust. Flame 2021, 232, 14.

Chen, T. Y.; Kliewer, C. J.;  Goldberg, B. M.;  Kolemen, E.; Ju, Y., Time-domain modelling and thermometry of the CH₄ n(1) Q-branch using hybrid femtosecond/picosecond coherent anti-Stokes Raman scattering. Combust. Flame 2021, 224, 183-195.

Christianson, M. G.; Doner, A. C.;  Davis, M. M.;  Koritzke, A. L.;  Turney, J. M.;  Schaefer, H. F., III;  Sheps, L.;  Osborn, D. L.;  Taatjes, C. A.; Rotavera, B., Reaction mechanisms of a cyclic ether intermediate: Ethyloxirane. Int. J. Chem. Kinet. 2021, 53 (1), 43-59.

Cole-Filipiak, N. C.; Tross, J.;  Schrader, P.;  McCaslin, L. M.; Ramasesha, K., Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy. J. Chem. Phys. 2021, 154 (13).

Conrad, A. R.; Hansen, N.;  Jasper, A. W.;  Thomason, N. K.;  Hidaldo-Rodrigues, L.;  Treshock, S. P.; Popolan-Vaida, D. M., Identification of the acetaldehyde oxide Criegee intermediate reaction network in the ozone-assisted low-temperature oxidation of trans-2-butene. Phys. Chem. Chem. Phys. 2021, 23 23554-23566.

Couch, D. E.; Zhang, A. J.;  Taatjes, C. A.; Hansen, N., Experimental Observation of Hydrocarbon Growth by Resonance-Stabilized Radical-Radical Chain Reaction. Angew. Chem.-Int. Edit. 2021, 60.

Danilack, A. D.; Klippenstein, S. J.;  Georgievskii, Y.; Goldsmith, C. F., Low-temperature oxidation of diethyl ether: Reactions of hot radicals across coupled potential energy surfaces. Proc. Combust. Inst. 2021.

Doan, N. A. K.; Bansude, S.;  Osawa, K.;  Minamoto, Y.;  Lu, T.;  Chen, J. H.; Swaminathan, N., Identification of combustion mode under MILD conditions using Chemical Explosive Mode Analysis. Proc. Combust. Inst. 2021, 38 (4), 5415-5422.

Doner, A. C.; Davis, M. M.;  Koritzke, A. L.;  Christianson, M. G.;  Turney, J. M.;  Schaefer, H. F., III;  Sheps, L.;  Osborn, D. L.;  Taatjes, C. A.; Rotavera, B., Isomer-dependent reaction mechanisms of cyclic ether intermediates:cis-2,3-dimethyloxirane andtrans-2,3-dimethyloxirane. Int. J. Chem. Kinet. 2021, 53 (1), 127-145.

Dunn, M. J.; Macfarlane, A. R. W.;  Barlow, R. S.;  Geyer, D.;  Dieter, K.; Masri, A. R., Spontaneous Raman-LIF-CO-OH measurements of species concentration in turbulent spray flames. Proc. Combust. Inst. 2021, 38 (1), 1779-1786.

Fan, X. F.; Sun, W. Y.;  Gao, Y.;  Hansen, N.;  Chen, B. J.;  Pitsch, H.; Yang, B., 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, 12.

Feng, R.; Gruber, A.;  Chen, J. H.; Valiev, D. M., Influence of gas expansion on the propagation of a premixed flame in a spatially periodic shear flow. Combust. Flame 2021, 227, 421-427.

Frank, J. H., Advances in imaging of chemically reacting flows. J. Chem. Phys. 2021, 154 (4).

Fritz, S. M.; Mishra, P.;  Wullenkord, J.;  Fugazzi, P. G.;  Kohse-Hoinghaus, K.;  Zwier, T. S.; Hansen, N., Detecting combustion intermediates via broadband chirped-pulse microwave spectroscopy. Proc. Combust. Inst. 2021, 38 (1), 1761-1769.

Gruber, A.; Bothien, M. R.;  Ciani, A.;  Aditya, K.;  Chen, J. H.; Williams, F. A., Direct Numerical Simulation of hydrogen combustion at auto-ignitive conditions: Ignition, stability and turbulent reaction-front velocity. Combust. Flame 2021, 229.

Gurses, S. M.; Price, T.;  Zhang, A.;  Frank, J. H.;  Hansen, N.;  Osborn, D. L.;  Kulkarni, A.; Kronawitter, C. X., Near-Surface Gas-Phase Methoxymethanol Is Generated by Methanol Oxidation over Pd-Based Catalysts. J. Phys. Chem. Lett. 2021, 11252-11258.

Hansen, N.; Kukkadapu, G.;  Chen, B.;  Dong, S.;  Curran, H. J.;  Taatjes, C. A.;  Eskola, A. J.;  Osborn, D. L.;  Sheps, L.;  Pitz, W. J.;  Moshammer, K.;  Jasper, A. W.;  Chen, W.;  Yang, J.; Wang, Z., The impact of the third O₂ addition reaction network on ignition delay times of neo-pentane. Proc. Combust. Inst. 2021, 38 (1), 299-307.

Harrilal, C. P.; DeBlase, A. F.;  McLuckey, S. A.; Zwier, T. S., Two-Color IRMPD Applied to Conformationally Complex Ions: Probing Cold Ion Structure and Hot Ion Unfolding. J. Phys. Chem. A 2021, 125 (42), 9394-9404.

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Huang, C.; Zhou, Z.;  Li, S.;  Tao, T.;  Zhang, F.;  Hansen, N.;  Law, C. K.; Yang, B., From inherent correlation to constrained measurement: Model-assisted calibration in MBMS experiments. Proc. Combust. Inst. 2021, 38 (1), 1071-1079.

Jung, K. S.; Kim, S. O.;  Lu, T. F.;  Chen, J. H.; Yoo, C. S., On the flame stabilization of turbulent lifted hydrogen jet flames in heated coflows near the autoignition limit: A comparative DNS study. Combust. Flame 2021, 233, 14.

Kaiser, R. I.; Hansen, N., An Aromatic Universe-A Physical Chemistry Perspective. J. Phys. Chem. A 2021, 125 (18), 3826-3840.

Kreitz, B.; Sargsyan, K.;  Blöndal, K.;  Mazeau, E. J.;  West, R. H.;  Wehinger, G. D.;  Turek, T.; Goldsmith, C. F., Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111). JACS Au 2021, 1 (10), 1656-1673.

Kreitz, B.; Wehinger, G. D.;  Goldsmith, C. F.; Turek, T., Microkinetic Modeling of the CO2 Desorption from Supported Multifaceted Ni Catalysts. J. Phys. Chem. C 2021, 125 (5), 2984-3000.

Krisman, A.; Meagher, P.;  Zhao, X.;  Park, J.-W.;  Lu, T.; Chen, J. H., A direct numerical simulation of Jet A flame kernel quenching. Combust. Flame 2021, 225, 349-363.

Kukkadapu, G.; Wagnon, S. W.;  Pitz, W. J.; Hansen, N., Identification of the molecular-weight growth reaction network in counterflow flames of the C3H4 isomers allene and propyne. Proc. Combust. Inst. 2021, 38 (1), 1477-1485.

Li, Z.-Z.; Ko, L.;  Yang, Z.;  Sarovar, M.; Whaley, K. B., Unraveling excitation energy transfer assisted by collective behaviors of vibrations. New Journal of Physics 2021, 23 (7), 073012.

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.

Liu, M.; Grinberg Dana, A.;  Johnson, M. S.;  Goldman, M. J.;  Jocher, A.;  Payne, A. M.;  Grambow, C. A.;  Han, K.;  Yee, N. W.;  Mazeau, E. J.;  Blondal, K.;  West, R. H.;  Goldsmith, C. F.; Green, W. H., Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Modeling 2021, 61 (6), 2686-2696.

Magann, A. B.; Grace, M. D.;  Rabitz, H. A.; Sarovar, M., Digital quantum simulation of molecular dynamics and control. Physical Review Research 2021, 3 (2), 023165.

Mazeau, E. J.; Satpute, P.;  Blöndal, K.;  Goldsmith, C. F.; West, R. H., Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane. ACS Catalysis 2021, 11 (12), 7114-7125.

Michelsen, H. A., Effects of maturity and temperature on soot density and specific heat. Proc. Combust. Inst. 2021, 38 (1), 1197-1205.

Miller, J. A.; Sivaramakrishnan, R.;  Tao, Y.;  Goldsmith, C. F.;  Burke, M. P.;  Jasper, A. W.;  Hansen, N.;  Labbe, N. J.;  Glarborg, P.; Zador, J., Combustion chemistry in the twenty-first century: Developing theory-informed chemical kinetics models. Prog. Energy Combust. Sci. 2021, 83.

Mishra, P.; Fritz, S. M.;  Herbers, S.;  Mebel, A. M.; Zwier, T. S., Gas-phase pyrolysis of trans 3-pentenenitrile: competition between direct and isomerization-mediated dissociation. Phys. Chem. Chem. Phys. 2021, 23 (11), 6462-6471.

Mitra, S.; Yang, N.;  McCaslin, L. M.;  Gerber, R. B.; Johnson, M. A., Size-Dependent Onset of Nitric Acid Dissociation in Cs⁺·(HNO₃)(H₂O)_n=0-11 Clusters at 20 K. J. Phys. Chem. Lett. 2021, 12 (13), 3335-3342.

Mulvihill, C. R.; Danilack, A. D.;  Goldsmith, C. F.;  Demireva, M.;  Sheps, L.;  Georgievskii, Y.;  Elliott, S. N.; Klippenstein, S. J., Non-Boltzmann Effects in Chain Branching and Pathway Branching for Diethyl Ether Oxidation. Energy & Fuels 2021, 35 (21), 17890-17908.

Rösch, D.; Caravan, R. L.;  Taatjes, C. A.;  Au, K.;  Almeida, R.; Osborn, D. L., Absolute Photoionization Cross Section of the Simplest Enol, Vinyl Alcohol. J. Phys. Chem. A 2021, 125 (36), 7920-7928.

Rotavera, B.; Taatjes, C. A., Influence of functional groups on low-temperature combustion chemistry of biofuels. Prog. Energy Combust. Sci. 2021, 86, 100925.

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Samanta, B. R.; Fernando, R.;  Rösch, D.;  Reisler, H.; Osborn, D. L., Primary photodissociation mechanisms of pyruvic acid on S₁: observation of methylhydroxycarbene and its chemical reaction in the gas phase. Phys. Chem. Chem. Phys. 2021, 23 (7), 4107-4119.

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Sheps, L.; Dewyer, A. L.;  Demireva, M.; Zador, J., Quantitative Detection of Products and Radical Intermediates in Low-Temperature Oxidation of Cyclopentane. J. Phys. Chem. A 2021, 125 (20), 4467-4479.

Shiels, O. J.; Prendergast, M. B.;  Savee, J. D.;  Osborn, D. L.;  Taatjes, C. A.;  Blanksby, S. J.;  da Silva, G.; Trevitt, A. J., Five vs. six membered-ring PAH products from reaction of o-methylphenyl radical and two C₃H₄ isomers. Phys. Chem. Chem. Phys. 2021, 23 (27), 14913-14924.

Sibert, E. L.; Blodgett, K. N.; Zwier, T. S., Spectroscopic Manifestations of Indirect Vibrational State Mixing: Novel Anharmonic Effects on a Prereactive H Atom Transfer Surface. J. Phys. Chem. A 2021, 125 (33), 7318-7330.

Taatjes, C. A.; Caravan, R. L.;  Winiberg, F. A. F.;  Au, K.;  Osborn, D. L.;  Vereecken, L.; Percival, C. J., Insertion products in the reaction of carbonyl oxide Criegee intermediates with acids: Chloro(hydroperoxy)methane formation from reaction of CH₂OO with HCl and DCl. Mol. Phys. 2021.

Tao, Y.; Jasper, A. W.;  Georgievskii, Y.;  Klippenstein, S. J.; Sivaramakrishnan, R., Termolecular chemistry facilitated by radical-radical recombinations and its impact on flame speed predictions. Proc. Combust. Inst. 2021.

Vansco, M. F.; Zuraski, K.;  Winiberg, F. A. F.;  Au, K.;  Trongsiriwat, N.;  Walsh, P. J.;  Osborn, D. L.;  Percival, C. J.;  Klippenstein, S. J.;  Taatjes, C. A.;  Lester, M. I.; Caravan, R. L., Functionalized Hydroperoxide Formation from the Reaction of Methacrolein-Oxide, an Isoprene-Derived Criegee Intermediate, with Formic Acid: Experiment and Theory. Molecules 2021, 26 (10).

Vazquez de Vasquez, M. G.; Carter-Fenk, K. A.;  McCaslin, L. M.;  Beasley, E. E.;  Clark, J. B.; Allen, H. C., Hydration and Hydrogen Bond Order of Octadecanoic Acid and Octadecanol Films on Water at 21 and 1 °C. J. Phys. Chem. A 2021.

Wang, H.; Chen, G.;  Luo, K.;  Hawkes, E. R.;  Chen, J. H.; Fan, J., Turbulence/flame/wall interactions in non-premixed inclined slot-jet flames impinging at a wall using direct numerical simulation. Proc. Combust. Inst. 2021, 38 (2), 2711-2720.

Wang, H.; Luo, K.;  Hawkes, E. R.;  Chen, J. H.; Fan, J., Turbulence, evaporation and combustion interactions in n-heptane droplets under high pressure conditions using DNS. Combust. Flame 2021, 225, 417-427.

Wang, H.; Wang, Z.;  Luo, K.;  Hawkes, E. R.;  Chen, J. H.; Fan, J., Direct numerical simulation of turbulent boundary layer premixed combustion under auto-ignitive conditions. Combust. Flame 2021, 228, 292-301.

Wiseman, S.; Rieth, M.;  Gruber, A.;  Dawson, J. R.; Chen, J. H., A comparison of the blow-out behavior of turbulent premixed ammonia/hydrogen/nitrogen-air and methane-air flames. Proc. Combust. Inst. 2021, 38 (2), 2869-2876.

Yang, B.; Sun, W. Y.;  Moshammer, K.; Hansen, N., Review of the Influence of Oxygenated Additives on the Combustion Chemistry of Hydrocarbons. Energy & Fuels 2021, 35 (17), 13550-13568.

Zhang, P.; Xie, T.;  Kolla, H.;  Wang, H.;  Hawkes, E. R.;  Chen, J. H.; Wang, H., A priori analysis of a power-law mixing model for transported PDF model based on high Karlovitz turbulent premixed DNS flames. Proc. Combust. Inst. 2021, 38 (2), 2917-2927.

Zhou, B.; Frank, J. H., Experimental study of vorticity-strain interactions in turbulent premixed counterflow flames. Proc. Combust. Inst. 2021, 38 (2), 2909-2916.

Zhou, B.; Huang, E.;  Almeida, R.;  Gurses, S.;  Ungar, A.;  Zetterberg, J.;  Kulkarni, A.;  Kronawitter, C. X.;  Osborn, D. L.;  Hansen, N.; Frank, J. H., Near-Surface Imaging of the Multicomponent Gas Phase above a Silver Catalyst during Partial Oxidation of Methanol. ACS Catalysis 2021, 11 (1), 155-168.

Zhou, B.; Li, T.;  Frank, J. H.;  Dreizler, A.; Boehm, B., Simultaneous 10 kHz three-dimensional CH₂O and tomographic PIV measurements in a lifted partially-premixed jet flame. Proc. Combust. Inst. 2021, 38 (1), 1675-1683.

Adamson, B. A.; Skeen, S. A.;  Ahmed, M.; Hansen, N., Nucleation of soot: experimental assessment of the role of polycyclic aromatic hydrocarbon (PAH) dimers. Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics 2020, 234 (7-9), 1295-1310.

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Baroncelli, M.; Mao, Q.;  Galle, S.;  Hansen, N.; Pitsch, H., Role of ring-enlargement reactions in the formation of aromatic hydrocarbons. Phys. Chem. Chem. Phys. 2020, 22 (8), 4699-4714.

Bylaska, E. J.; Waters, K.;  Hermes, E. D.;  Zádor, J.; Rosso, K. M., A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementation. Materials Theory 2020, 4 (1), 3.

Caravan, R. L.; Vansco, M. F.;  Au, K.;  Khan, M. A. H.;  Li, Y.-L.;  Winiberg, F. A. F.;  Zuraski, K.;  Lin, Y.-H.;  Chao, W.;  Trongsiriwat, N.;  Walsh, P. J.;  Osborn, D. L.;  Percival, C. J.;  Lin, J. J.-M.;  Shallcross, D. E.;  Sheps, L.;  Klippenstein, S. J.;  Taatjes, C. A.; Lester, M. I., Direct kinetic measurements and theoretical predictions of an isoprene-derived Criegee intermediate. Proc. Natl. Acad. Sci. U.S.A. 2020, 201916711.

Chen, B.; Ilies, B. D.;  Chen, W.;  Xu, Q.;  Li, Y.;  Xing, L.;  Yang, J.;  Wei, L.;  Hansen, N.;  Pitsch, H.;  Sarathy, S. M.; Wang, Z., Exploring low temperature oxidation of 1-butene in jet-stirred reactors. Combust. Flame 2020, 222, 259-271.

Chen, T. Y.; Goldberg, B. M.;  Patterson, B. D.;  Kolemen, E.;  Ju, Y.; Kliewer, C. J., 1-D imaging of rotation-vibration non-equilibrium from pure rotational ultrafast coherent anti-Stokes Raman scattering. Opt. Lett. 2020, 45 (15), 4252-4255.

Chen, Z. X.; Langella, I.;  Barlow, R. S.; Swaminathan, N., Prediction of local extinctions in piloted jet flames with inhomogeneous inlets using unstrained flamelets. Combust. Flame 2020, 212, 415-432.

Chhantyal-Pun, R.; Khan, M. A. H.;  Taatjes, C. A.;  Percival, C. J.;  Orr-Ewing, A. J.; Shallcross, D. E., Criegee intermediates: production, detection and reactivity. Int. Rev. Phys. Chem. 2020, 39 (3), 383-422.

Demireva, M.; Au, K.; Sheps, L., Direct Time-Resolved Detection and Quantification of Key Reactive Intermediates in Diethyl Ether Oxidation at T = 450 – 600 K. Phys. Chem. Chem. Phys. 2020, 22, 24649-24661.

Driscoll, J. F.; Chen, J. H.;  Skiba, A. W.;  Carter, C. D.;  Hawkes, E. R.; Wang, H. O., Premixed flames subjected to extreme turbulence: Some questions and recent answers. Prog. Energy Combust. Sci. 2020, 76, 36.

Fournier, M.; Lopez, G. V.;  Spiliotis, A. K.;  Casey, T. A.;  Rakitzis, T. P.; Chandler, D. W., Alignment and dissociation of electronically excited molecular hydrogen with intense laser fields. Mol. Phys. 2020.

He, X.; Hansen, N.; Moshammer, K., Molecular-weight growth in ozone-initiated low-temperature oxidation of methyl crotonate. J. Phys. Chem. A 2020, 124 (39), 7881–7892.

Holland, R.; Khan, M. A. H.;  Chhantyal-Pun, R.;  Orr-Ewing, A. J.;  Percival, C. J.;  Taatjes, C. A.; Shallcross, D. E., Investigating the Atmospheric Sources and Sinks of Perfluorooctanoic Acid Using a Global Chemistry Transport Model. Atmosphere 2020, 11 (4), 407.

Jasper, A. W., “Third-body” collision parameters for hydrocarbons, alcohols, and hydroperoxides and an effective internal rotor approach for estimating them. Int. J. Chem. Kinet. 2020, 52 (6), 387-402.

Li, T.; Zhou, B.;  Frank, J. H.;  Dreizler, A.; Bohm, B., High-speed volumetric imaging of formaldehyde in a lifted turbulent jet flame using an acousto-optic deflector. Exp. Fluids 2020, 61 (4), 14.

Liao, H. D.; Kang, S. Q.;  Hansen, N.;  Zhang, F.; Yang, B., Influence of ozone addition on the low-temperature oxidation of dimethyl ether in a jet-stirred reactor. Combust. Flame 2020, 214, 277-286.

Mecker, N. T.; Courtney, T. L.;  Patterson, B. D.;  Escofet-Martin, D.;  Peterson, B.;  Kliewer, C. J.; Linne, M., Optimizing hybrid rotational femtosecond/picosecond coherent anti-Stokes Raman spectroscopy in nitrogen at high pressures and temperatures. J. Opt. Soc. Am. B 2020, 37 (4), 1035-1046.

Michelsen, H. A.; Colket, M. B.;  Bengtsson, P. E.;  D’Anna, A.;  Desgroux, P.;  Haynes, B. S.;  Miller, J. H.;  Nathan, G. J.;  Pitsch, H.; Wang, H., A Review of Terminology Used to Describe Soot Formation and Evolution under Combustion and Pyrolytic Conditions. Acs Nano 2020, 14 (10), 12470-12490.

Randazzo, J. B.; Sivaramakrishnan, R.;  Jasper, A. W.;  Sikes, T.;  Lynch, P. T.; Tranter, R. S., An experimental and theoretical study of the high temperature reactions of the four butyl radical isomers. Phys. Chem. Chem. Phys. 2020, 22 (33), 18304-18319.

Rousso, A. C.; Jasper, A. W.;  Ju, Y.; Hansen, N., Extreme Low-Temperature Combustion Chemistry: Ozone -Initiated Oxidation of Methyl Hexanoate. J. Phys. Chem. A 2020, 124 (48), 9897-9914.

Samanta, B. R.; Fernando, R.;  Rösch, D.;  Reisler, H.; Osborn, D. L., Looking at the bigger picture: Identifying the photoproducts of pyruvic acid at 193 nm. J. Chem. Phys. 2020, 153 (7), 074307.

Schmitt, S.; Wick, M.;  Wouters, C.;  Ruwe, L.;  Graf, I.;  Andert, J.;  Hansen, N.;  Pischinger, S.; Kohse-Hoinghaus, K., Effects of water addition on the combustion of iso-octane investigated in laminar flames, low-temperature reactors, and an HCCI engine. Combust. Flame 2020, 212, 433-447.

Shaik, R. A.; Kastengren, A. L.;  Tranter, R. S.; Lynch, P. T., Temporally and spatially resolved measurements of boundary layer thickness in a shock tube using X-ray densitometry. Combust. Flame 2020.

Steinmetz, S.; Kliewer, C. J., Phase Matching in Multidimensional Coherent Raman Imaging. Opt. Express 2020, 28 (23), 34586-34596.

Terracciano, A. C.; Neupane, S.;  Popolan-Vaida, D. M.;  Blair, R. G.;  Hansen, N.;  Vaghjiani, G. L.; Vasu, S. S., Elucidating the differences in oxidation of high-performance alpha- and beta- diisobutylene biofuels via Synchrotron photoionization mass spectrometry. Scientific Reports 2020, 10 (1).

Tranter, R. S.; Sikes, T., Solenoid actuated driver valve for high repetition rate shock tubes. Rev. Sci. Instrum. 2020, 91 (5), 056101.

Trivedi, S.; Kolla, H.;  Chen, J. H.; Cant, R. S., Analysis of flame-flame interactions in premixed hydrocarbon and hydrogen flames. Physical Review Fluids 2020, 5 (11).

Van de Vijver, R.; Zador, J., KinBot: Automated stationary point search on potential energy surfaces. Comput. Phys. Commun. 2020, 248.

Vansco, M. F.; Caravan, R. L.;  Pandit, S.;  Zuraski, K.;  Winiberg, F. A. F.;  Au, K.;  Bhagde, T.;  Trongsiriwat, N.;  Walsh, P. J.;  Osborn, D. L.;  Percival, C. J.;  Klippenstein, S. J.;  Taatjes, C. A.; Lester, M. I., Formic acid catalyzed isomerization and adduct formation of an isoprene-derived Criegee intermediate: experiment and theory. Phys. Chem. Chem. Phys. 2020, 22 (46), 26796-26805.

Vansco, M. F.; Caravan, R. L.;  Zuraski, K.;  Winiberg, F. A. F.;  Au, K.;  Trongsiriwat, N.;  Walsh, P. J.;  Osborn, D. L.;  Percival, C. J.;  Khan, M. A. H.;  Shallcross, D. E.;  Taatjes, C. A.; Lester, M. I., Experimental Evidence of Dioxole Unimolecular Decay Pathway for Isoprene-Derived Criegee Intermediates. J. Phys. Chem. A 2020, 124 (18), 3542–3554.

Wang, Z. D.; Hansen, N.;  Jasper, A. W.;  Chen, B. J.;  Popolan-Vaida, D. M.;  Yalamanchi, K. K.;  Najjar, A.;  Dagaut, P.; Sarathy, S. M., Cool flame chemistry of diesel surrogate compounds: n-Decane, 2-methylnonane, 2,7-dimethyloctane, and n-butylcyclohexane. Combust. Flame 2020, 219, 384-392.

Aditya, K.;  Gruber, A.;  Xu, C.;  Lu, T. F.;  Krisman, A.;  Bothien, M. R.; Chen, J. H., Direct numerical simulation of flame stabilization assisted by autoignition in a reheat gas turbine combustor. Proc. Combust. Inst. 2019, 37 (2), 2635-2642.

Antonov, I.; Voronova, K.;  Chen, M. W.;  Sztaray, B.;  Hemberger, P.;  Bodi, A.;  Osborn, D. L.; Sheps, L., To Boldly Look Where No One Has Looked Before: Identifying the Primary Photoproducts of Acetylacetone. J. Phys. Chem. A 2019, 123 (26), 5472-5490.

Baroncelli, M.; Felsmann, D.;  Hansen, N.; Pitsch, H., Investigating the effect of oxy-fuel combustion and light coal volatiles interaction: A mass spectrometric study. Combust. Flame 2019, 204, 320-330.

Blondal, K.; Jelic, J.;  Mazeau, E.;  Studt, F.;  West, R. H.; Goldsmith, C. F., Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum. Industrial & Engineering Chemistry Research 2019, 58 (38), 17682-17691.

Bourgalais, J.; Caster, K. L.;  Durif, O.;  Osborn, D. L.;  Le Picard, S. D.; Goulay, F., Product Detection of the CH Radical Reactions with Ammonia and Methyl-Substituted Amines. J. Phys. Chem. A 2019, 123 (11), 2178-2193.

Butz, D.; Hartl, S.;  Popp, S.;  Walther, S.;  Barlow, R. S.;  Hasse, C.;  Dreizler, A.; Geyer, D., Local flame structure analysis in turbulent CH4/air flames with multi-regime characteristics. Combust. Flame 2019, 210, 426-438.

Casey, T. A.; Najm, H. N., Estimating the joint distribution of rate parameters across multiple reactions in the absence of experimental data. Proc. Combust. Inst. 2019, 37 (1), 797-805.

Chen, B. J.; Wang, H. Y.;  Wang, Z. D.;  Han, J.;  Alquaity, A. B. S.;  Wang, H.;  Hansen, N.; Sarathy, S. M., Ion chemistry in premixed rich methane flames. Combust. Flame 2019, 202, 208-218.

Chhantyal-Pun, R.; Shannon, R. J.;  Tew, D. P.;  Caravan, R. L.;  Duchi, M.;  Wong, C.;  Ingham, A.;  Feldman, C.;  McGillen, M. R.;  Khan, M. A. H.;  Antonov, I. O.;  Rotavera, B.;  Ramasesha, K.;  Osborn, D. L.;  Taatjes, C. A.;  Percival, C. J.;  Shallcross, D. E.; Orr-Ewing, A. J., Experimental and computational studies of Criegee intermediate reactions with NH₃ and CH₃NH₂ Phys. Chem. Chem. Phys. 2019, 21 (26), 14042-14052.

Courtney, T. L.; Mecker, N. T.;  Patterson, B. D.;  Linne, M.; Kliewer, C. J., Hybrid femtosecond/picosecond pure rotational anti-Stokes Raman spectroscopy of nitrogen at high pressures (1-70 atm) and temperatures (300-1000 K). Appl. Phys. Lett. 2019, 114 (10).

Courtney, T. L.; Mecker, N. T.;  Patterson, B. D.;  Linne, M.; Kliewer, C. J., Generation of narrowband pulses from chirped broadband pulse frequency mixing. Opt. Lett. 2019, 44 (4), 835-838.

Davis, J. C.; Koritzke, A. L.;  Caravan, R. L.;  Antonov, I. O.;  Christianson, M. G.;  Doner, A. C.;  Osborn, D. L.;  Sheps, L.;  Taatjes, C. A.; Rotavera, B., Influence of the Ether Functional Group on Ketohydroperoxide Formation in Cyclic Hydrocarbons: Tetrahydropyran and Cyclohexane. J. Phys. Chem. A 2019, 123 (17), 3634-3646.

Eskola, A. J.; Pekkanen, T. T.;  Joshi, S. P.;  Timonen, R. S.; Klippenstein, S. J., Kinetics of 1-butyl and 2-butyl radical reactions with molecular oxygen: Experiment and theory. Proc. Combust. Inst. 2019, 37 (1), 291-298.

Galeazzo, F. C. C.; Savard, B.;  Wang, H. O.;  Hawkes, E. R.;  Chen, J. H.; Krieger, G. C., Performance assessment of flamelet models in flame-resolved LES of a high Karlovitz methane/air stratified premixed jet flame. Proc. Combust. Inst. 2019, 37 (2), 2545-2553.

Han, W.; Wang, H.;  Kuenne, G.;  Hawkes, E. R.;  Chen, J. H.;  Janicka, J.; Hasse, C., Large eddy simulation/dynamic thickened flame modeling of a high Karlovitz number turbulent premixed jet flame. Proc. Combust. Inst. 2019, 37 (2), 2555-2563.

Han, X.; Valorani, M.; Najm, H. N., Explicit time integration of the stiff chemical Langevin equations using computational singular perturbation. J. Chem. Phys. 2019, 150 (19), 194101.

Han, X. Y.; Najm, H. N., Effective construction of eigenvectors for a class of singular sparse matrices. Appl. Math. Lett. 2019, 97, 121-126.

Hansen, N.; He, X.;  Griggs, R.; Moshammer, K., Knowledge generation through data research: New validation targets for the refinement of kinetic mechanisms. Proc. Combust. Inst. 2019, 37 (1), 743-750.

Hansen, N.; Moshammer, K.; Jasper, A. W., Isomer-Selective Detection of Keto-Hydroperoxides in the Low-Temperature Oxidation of Tetrahydrofuran. J. Phys. Chem. A 2019, 123 (38), 8274-8284.

Hansen, N.; Tranter, R. S.;  Randazzo, J. B.;  Lockhart, J. P. A.; Kastengren, A. L., Investigation of sampling-probe distorted temperature fields with X-ray fluorescence spectroscopy. Proc. Combust. Inst. 2019, 37 (2), 1401-1408.

Hartl, S.; Geyer, D.;  Hasse, C.;  Zhao, X. Y.;  Wang, H. O.; Barlow, R. S., Assessing an experimental approach for chemical explosive mode and heat release rate using DNS data. Combust. Flame 2019, 209, 214-224.

Hartl, S.; Van Winkle, R.;  Geyer, D.;  Dreizler, A.;  Magnotti, G.;  Hasse, C.; Barlow, R. S., Assessing the relative importance of flame regimes in Raman/Rayleigh line measurements of turbulent lifted flames. Proc. Combust. Inst. 2019, 37 (2), 2297-2305.

Hashemi, H.; Christensen, J. M.;  Harding, L. B.;  Klippenstein, S. J.; Glarborg, P., High-pressure oxidation of propane. Proc. Combust. Inst. 2019, 37 (1), 461-468.

Hermes, E. D.; Sargsyan, K.;  Najm, H. N.; Zádor, J., Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization. J. Chem. Theory Comput. 2019.

Jasper, A. W.; Sivaramakrishnan, R.; Klippenstein, S. J., Nonthermal rate constants for CH₄* + X → CH₃ + HX, X = H, O, OH, and O₂. J. Chem. Phys. 2019, 150 (11), 114112.

Koritzke, A. L.; Davis, J. C.;  Caravan, R. L.;  Christianson, M. G.;  Osborn, D. L.;  Taatjes, C. A.; Rotavera, B., (Q) over dotOOH-mediated reactions in cyclohexene oxidation. Proc. Combust. Inst. 2019, 37 (1), 323-335.

Krisman, A.; Hawkes, E. R.; Chen, J. H., A parametric study of ignition dynamics at ECN Spray A thermochemical conditions using 2D DNS. Proc. Combust. Inst. 2019, 37 (4), 4787-4795.

Krisman, A.; Mounaim-Rousselle, C.;  Sivaramakrishnan, R.;  Miller, J. A.; Chen, J. H., Reference natural gas flames at nominally autoignitive engine-relevant conditions. Proc. Combust. Inst. 2019, 37 (2), 1631-1638.

Labahn, J. W.; Wu, H.;  Coriton, B.;  Frank, J. H.; Ihme, M., Data assimilation using high-speed measurements and LES to examine local extinction events in turbulent flames. Proc. Combust. Inst. 2019, 37 (2), 2259-2266.

Labahn, J. W.; Wu, H.;  Harris, S. R.;  Coriton, B.;  Frank, J. H.; Ihme, M., Ensemble Kalman Filter for Assimilating Experimental Data into Large-Eddy Simulations of Turbulent Flows. Flow Turbul. Combust. 2019.

Lau, T. C. W.; Frank, J. H.; Nathan, G. J., Resolving the three-dimensional structure of particles that are aerodynamically clustered by a turbulent flow. Phys. Fluids 2019, 31 (7), 071702.

Leon, L.; Ruwe, L.;  Moshammer, K.;  Seidel, L.;  Shrestha, K. P.;  Wang, X. X.;  Mauss, F.;  Kohse-Hoinghaus, K.; Hansen, N., Chemical insights into the larger sooting tendency of 2-methyl-2-butene compared to n-pentane. Combust. Flame 2019, 208, 182-197.

Liao, H.; Tao, T.;  Sun, W.;  Hansen, N.;  Law, C. K.; Yang, B., Investigation of the low-temperature oxidation of n-butanal in a jet-stirred reactor. Proc. Combust. Inst. 2019, 37 (1), 453-460.

Neuber, G.; Fuest, F.;  Kirchmann, J.;  Kronenburg, A.;  Stein, O. T.;  Galindo-Lopez, S.;  Cleary, M. J.;  Barlow, R. S.;  Coriton, B.;  Frank, J. H.; Sutton, J. A., Sparse-Lagrangian MMC modelling of the Sandia DME flame series. Combust. Flame 2019, 208, 110-121.

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

Prendergast, M. B.; Kirk, B. B.;  Savee, J. D.;  Osborn, D. L.;  Taatjes, C. A.;  Hemberger, P.;  Blanksby, S. J.;  da Silva, G.; Trevitt, A. J., Product detection study of the gas-phase oxidation of methylphenyl radicals using synchrotron photoionisation mass spectrometry. Phys. Chem. Chem. Phys. 2019, 21 (32), 17939-17949.

Ren, Z. Y.; Kuron, M.;  Zhao, X. Y.;  Lu, T. F.;  Hawkes, E.;  Kolla, H.; Chen, J. H., Micromixing Models for PDF Simulations of Turbulent Premixed Flames. Combust. Sci. Technol. 2019, 191 (8), 1430-1455.

Rousso, A. C.; Hansen, N.;  Jasper, A. W.; Ju, Y. G., Identification of the Criegee intermediate reaction network in ethylene ozonolysis: impact on energy conversion strategies and atmospheric chemistry. Phys. Chem. Chem. Phys. 2019, 21 (14), 7341-7357.

Ruwe, L.; Cai, L. M.;  Moshammer, K.;  Hansen, N.;  Pitsch, H.; Kohse-Hoinghaus, K., The C-5 chemistry preceding the formation of polycyclic aromatic hydrocarbons in a premixed 1-pentene flame. Combust. Flame 2019, 206, 411-423.

Sargsyan, K.; Huan, X.; Najm, H. N., Embedded Model Error Representation for Bayesian Model Calibration. International Journal for Uncertainty Quantification 2019, 9 (4), 365-394.

Savard, B.; Hawkes, E. R.;  Aditya, K.;  Wang, H. O.; Chen, J. H., Regimes of premixed turbulent spontaneous ignition and deflagration under gas-turbine reheat combustion conditions. Combust. Flame 2019, 208, 402-419.

Schneider, S.; Geyer, D.;  Magnotti, G.;  Dunn, M. J.;  Barlow, R. S.; Dreizler, A., Structure of a stratified CH4 flame with H2 addition. Proc. Combust. Inst. 2019, 37 (2), 2307-2315.

Sheps, L.; Antonov, I. O.; Au, K., A Sensitive Mass Spectrometer for Time-Resolved Gas-Phase Chemistry Studies at High Pressures. J. Phys. Chem. A 2019, 123 (50), 10804-10814.

Shin, D. H.; Richardson, E. S.;  Aparece-Scutariu, V.;  Minamoto, Y.; Chen, J. H., Fluid age-based analysis of a lifted turbulent DME jet flame DNS. Proc. Combust. Inst. 2019, 37 (2), 2215-2222.

Sivaramakrishnan, R.; Goldsmith, C. F.;  Peukert, S.; Michael, J. V., Direct measurements of channel specific rate constants in OH + C₃H₈ illuminates prompt dissociations of propyl radicals. Proc. Combust. Inst. 2019, 37 (1), 231-238.

Straub, C.; Kronenburg, A.;  Stein, O. T.;  Barlow, R. S.; Geyer, D., Modeling stratified flames with and without shear using multiple mapping conditioning. Proc. Combust. Inst. 2019, 37 (2), 2317-2324.

Sun, W.; Lailliau, M.;  Serinyel, Z.;  Dayma, G.;  Moshammer, K.;  Hansen, N.;  Yang, B.; Dagaut, P., Insights into the oxidation kinetics of a cetane improver – 1,2-dimethoxyethane (1,2-DME) with experimental and modeling methods. Proc. Combust. Inst. 2019, 37 (1), 555-564.

Sun, W.; Tao, T.;  Liao, H.;  Hansen, N.; Yang, B., Probing fuel-specific reaction intermediates from laminar premixed flames fueled by two C5 ketones and model interpretations. Proc. Combust. Inst. 2019, 37 (2), 1699-1707.

Sun, W. Y.; Wang, J. X.;  Huang, C.;  Hansen, N.; Yang, B., Providing effective constraints for developing ketene combustion mechanisms: A detailed kinetic investigation of diacetyl flames. Combust. Flame 2019, 205, 11-21.

Taatjes, C. A.; Khan, M. A. H.;  Eskola, A. J.;  Percival, C. J.;  Osborn, D. L.;  Wallington, T. J.; Shallcross, D. E., Reaction of Perfluorooctanoic Acid with Criegee Intermediates and Implications for the Atmospheric Fate of Perfluorocarboxylic Acids. Environmental Science & Technology 2019, 53 (3), 1245-1251.

Trivedi, S.; Griffiths, R.;  Kolla, H.;  Chen, J. H.; Cant, R. S., Topology of pocket formation in turbulent premixed flames. Proc. Combust. Inst. 2019, 37 (2), 2619-2626.

Wabel, T. M.; Barlow, R. S.; Steinberg, A. M., Reaction zone stratification in piloted highly-turbulent fuel-lean premixed jets. Combust. Flame 2019, 208, 327-329.

Wang, Q.; Elvati, P.;  Kim, D.;  Johansson, K. O.;  Schrader, P. E.;  Michelsen, H. A.; Violi, A., Spatial dependence of the growth of polycyclic aromatic compounds in an ethylene counterflow flame. Carbon 2019, 149, 328-335.

Wang, Z. D.; Herbinet, O.;  Hansen, N.; Battin-Leclerc, F., Exploring hydroperoxides in combustion: History, recent advances and perspectives. Prog. Energy Combust. Sci. 2019, 73, 132-181.

Xu, C.; Park, J.-W.;  Yoo, C. S.;  Chen, J. H.; Lu, T., Identification of premixed flame propagation modes using chemical explosive mode analysis. Proc. Combust. Inst. 2019, 37 (2), 2407-2415.

Zador, J.; Miller, J. A., Comment on “Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals”. J. Phys. Chem. A 2019, 123 (5), 1129-1130.

Zhou, B.; Frank, J. H., Effects of heat release and imposed bulk strain on alignment of strain rate eigenvectors in turbulent premixed flames. Combust. Flame 2019, 201, 290-300.

Zhou, B.; Ruggles, A. J.;  Huang, E. X.; Frank, J. H., Wavelet-based algorithm for correction of beam-steering artefacts in turbulent flow imaging at elevated pressures. Exp. Fluids 2019, 60 (8), 10.

Zhou, H.; Ren, Z. Y.;  Kuron, M.;  Lu, T. F.; Chen, J. H., Investigation of Reactive Scalar Mixing in Transported PDF Simulations of Turbulent Premixed Methane-Air Bunsen Flames. Flow Turbul. Combust. 2019, 103 (3), 667-697.