Publications
| 56 Zhang, X.; Khandavilli, M.; Gautam, R.; AlAbbad, M.; Li, Y.; Chatakonda, O.; Kloosterman, J. W.; Middaugh, J.; Sarathy, S. M., An updated functional-group-based approach to modeling the vacuum residue oil gasification kinetics. Fuel 2024, 357, 129759. |
| 55 Tang, R.; Han, Y.; Chen, H.; Qu, B.; Li, Y.; Lu, Z.; Xing, Z.; Cheng, S., Theoretical study of H-atom abstraction by CH3OȮ radicals from aldehydes and alcohols: Ab initio and comprehensive kinetic modeling. Combust. Flame 2024, 259, 113175. |
| 54 Ren, X.; He, R.; Wang, X.; Wang, F.; Zhang, X.; Wang, D.; Liu, S.; Curran, H. J.; Liang, J.; Li, Y., A comprehensive experimental and theoretical study of thermal response mechanisms of TKX-50 and HMX. Fuel 2024, 375, 132623. |
| 53 Ren, X.; Bai, X.; Jia, M.; Liu, S.; Han, Y.; Tang, R.; Cheng, S.; Zhou, C.-W.; Curran, H. J.; Li, Y., Ab initio kinetics for H-atom abstraction from C1–C5 hydrocarbon and oxygenated species by CH3Ȯ radicals. Combust. Flame 2024, 263, 113410. |
| 52 Qu, B.; Chen, H.; Fu, X.; Bruce, F. N. O.; Bai, X.; Liu, S.; Yalamanchi, K.; Wang, T.; Sun, D.; Li, Y., Probing the Chemistry of Sulfurous Pollutants: Accurate Thermochemistry Determination of Extensive Sulfur-Containing Species. ACS omega 2024, 9 (14), 16581-16591. |
| 51 Liu, S.; Cheng, Q.; Han, L.; Zhang, W.; Wang, G.; Li, Y., The influence of asymmetric truncated ribs on flow and heat transfer of supercritical aviation kerosene in a rectangular curved cooling channel. International Journal of Thermal Sciences 2024, 196, 108720. |
| 50 Bruce, F. N. O.; He, R.; Xuan, R.; Xin, B.; Ma, Y.; Li, Y., An experimental and kinetic modeling study of the auto-ignition delay times of trimethyl phosphate-in-air mixtures. Applications in Energy and Combustion Science 2024, 17, 100237. |
| 49 Bai, X.; Li, Y.; Wu, J.; Liu, S.; Lu, H.; Nagaraja, S. S.; Zhou, C.-W.; Ren, X.; Curran, H. J., A theoretical kinetic study of 1-butyne, 2-butyne, and 3-methyl-1-butyne combustion. Combust. Flame 2024, 259, 113178. |
| 48 Zhu, Q.; Lyu, J.-Y.; He, R.; Bai, X.; Li, Y.; Yang, W., Detailed kinetic mechanism of polyoxymethylene dimethyl ether 3 (PODE3). Part I: Ab initio thermochemistry and kinetic predictions for key reactions. Combust. Flame 2023, 256, 112990. |
| 47 Yang, C.; Chen, J.-T.; Zhu, X.; Bai, X.; Li, Y.; Yalamanchi, K. K.; Sarathy, S. M.; Goldsborough, S. S.; Cheng, S.; Curran, H. J., From electronic structure to model application of key reactions for gasoline/alcohol combustion: Hydrogen-atom abstraction by CH3OȮ radicals. Proceedings of the Combustion Institute 2023, 39 (1), 415-423. |
| 46 Wu, J.; Bruce, F. N. O.; Bai, X.; Ren, X.; Li, Y., Insights into the reaction kinetics of hydrazine-based Fuels: a comprehensive review of theoretical and experimental methods. Energies 2023, 16 (16), 6006. |
| 45 Wang, X.; Feng, Y.; Zhang, J.; Ma, R.; Wu, J.; He, R.; Li, Y.; Liang, J., Study of Hedge Ignition and Flame Propagation Characteristics of Unsymmetrical Dimethylhydrazine and Its Metamorphosed Mixtures in a Nitrogen Tetroxide Atmosphere. Energies 2023, 16 (24), 8087. |
| 44 Wang, T.; Yalamanchi, K. K.; Bai, X.; Liu, S.; Li, Y.; Qu, B.; Kukkadapu, G.; Sarathy, S. M., Computational thermochemistry of oxygenated polycyclic aromatic hydrocarbons and relevant radicals. Combust. Flame 2023, 247, 112484. |
| 43 Wang, Q.-D.; Sun, Y.; Zhao, Z.; Zhang, Y.; Zhao, F.; Li, Y.; Liang, J., Ignition kinetics of nitrocyclohexane behind reflected shock waves in inert and air environments. Combust. Flame 2023, 255, 112865. |
| 42 Ren, X.; Chen, H.; Qu, B.; Fu, X.; Liu, S.; Cao, S.; Liang, J.; Zheng, D.; Zhang, F.; Li, Y., Ab initio kinetics of H-atom abstraction from monomethylhydrazine. Combust. Flame 2023, 257, 112998. |
| 41 Lyu, J.-Y.; Zhu, Q.; Bai, X.; Ren, X.; Li, J.; Chen, D.; Kiselev, V. G.; Li, Y.; Yang, W., A detailed chemical kinetic mechanism of 1, 1-diamino-2, 2-dinitroethylene (FOX-7) initial decomposition in the gas phase. Combust. Flame 2023, 255, 112877. |
| 40 Liu, S.; Chen, Z.; Wang, L.; Li, Y.; Hu, S., Numerical study on transient regression rate and combustion characteristics of segregated AP-based oxidizer/TAGN-based Fuel. Fuel 2023, 337, 126893. |
| 39 Liang, J.-h.; Cao, S.-t.; Li, F.; Li, X.-l.; He, R.-n.; Bai, X.; Wang, Q.-D.; Li, Y., A comparative single-pulse shock tube experiment and kinetic modeling study on pyrolysis of cyclohexane, methylcyclohexane and ethylcyclohexane. Defence Technology 2023, 20, 137-148. |
| 38 Hakimov, K.; Li, Y.; Sarathy, S. M.; Badra, J.; Cenker, E.; Farooq, A., Autoignition of iso-octane at ultra-lean and lean conditions. Combust. Flame 2023, 247, 112515. |
| 37 Bruce, F. N. O.; Li, Y., Probing the Thermochemistry Properties and Rate Kinetics of Trimethyl Phosphate (TMP): An H-Atom Abstraction (HAA) Reactions Perspective. ACS omega 2023, 8 (49), 47134-47145. |
| 36 Bai, X.; Li, Y.; Liu, S.; He, R.; Liang, J.; Yin, G.; Zheng, S.; Qian, Y.; Wang, X., Probing the combustion kinetics of dimethylformamide: A theoretical study of H-atom abstraction reactions. Fuel 2023, 353, 129164. |
| 35 Zhu, Q.; Wang, F.; Lyu, J.-Y.; Li, Y.; Chen, D.; Yang, W., Molecular dynamics simulation on the pyrolysis process of PODE3-5. Processes 2022, 10 (11), 2378. |
| 34 Zheng, S.; Qian, Y.; Wang, X.; Vujanović, M.; Zhang, Y.; Rahman, Z. U.; Yang, P.; Duan, F.; Tan, H.; De Toni, A., Experimental investigation of the NOx formation and control during the self-sustaining incineration process of N-containing VOCs (DIMETHYLFORMAMIDE). Fuel 2022, 315, 123149. |
| 33 Zhao, H.; Zhang, Y.; Zhao, Q.; Li, Y.; Huang, Z., A theoretical study of H-abstractions of benzaldehyde by H, O3 (P), 3O2, OH, HO2, and CH3 radicals: ab initio rate coefficients and their uncertainty quantification. The Journal of Physical Chemistry A 2022, 126 (41), 7523-7533. |
| 32 Wang, K.; Zavaleta, V. G.; Li, Y.; Sarathy, S. M.; Abdul-Manan, A. F., Life-cycle CO2 mitigation of China’s class-8 heavy-duty trucks requires hybrid strategies. One Earth 2022, 5 (6), 709-723. |
| 31 Tang, A.; Huang, Q.; Li, Y.; Gao, L.; Ni, Q., Development and verification of simplified methane/dimethyl ether mechanism for micro-combustion. Fuel Process. Technol. 2022, 226, 107071. |
| 30 Liang, J.; He, R.; Zheng, S.; Li, F.; Li, Y.; Vicente, J.; de Oliveira, A. A. M.; De Toni Jr, A.; Bai, X.; Wang, X., An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of DMF over a wide range of conditions. Combust. Flame 2022, 245, 112314. |
| 29 Li, Y.; Wang, T.; Yalamanchi, K. K.; Kukkadapu, G.; Sarathy, S. M., Accurate thermochemistry prediction of extensive Polycyclic aromatic hydrocarbons (PAHs) and relevant radicals. Combust. Flame 2022, 242, 112159. |
| 28 He, R.; Wu, J.; Jia, W.; Liang, J.; Li, Y., Experimental Study on the Pyrolysis and Soot Formation Characteristics of JP-10 Jet Fuel. Energies 2022, 15 (3), 938. |
| 27 Angikath Shamsudheen, F.; Li, Y.; Voice, A.; Yoo, K. H.; Zhao, L.; Pei, Y.; Badra, J.; Boehman, A.; Sarathy, M., Development of a Reduced TPRF-E (Heptane/Isooctane/Toluene/Ethanol) Gasoline Surrogate Model for Computational Fluid Dynamic Applications in Engine Combustion and Sprays. 2022. |
| 26 Zhang, X.; Cao, C.; Zou, J.; Li, Y.; Zhang, Y.; Guo, J.; Xu, Q.; Feng, B.; Sarathy, S. M.; Yang, J., Low-temperature oxidation chemistry of 2, 4, 4-trimethyl-1-pentene (diisobutylene) triggered by dimethyl ether (DME): A jet-stirred reactor oxidation and kinetic modeling investigation. Combust. Flame 2021, 234, 111629. |
| 25 Sun, W.; Zhang, Y.; Li, Y.; Huang, Z., Hierarchical Auto-Ignition and Structure-Reactivity Trends of C2–C4 1-Alkenes. Energies 2021, 14 (18), 5797. |
| 24 Shankar, V. S. B.; Li, Y.; Singh, E.; Sarathy, S. M., Understanding the synergistic blending octane behavior of 2-methylfuran. Proceedings of the Combustion Institute 2021, 38 (4), 5625-5633. |
| 23 Li, Y.; Wu, J.; Zhao, Q.; Zhang, Y.; Huang, Z., Theoretical Study of an Undisclosed Reaction Class: Direct H-Atom Abstraction from Allylic Radicals by Molecular Oxygen. Energies 2021, 14 (10), 2916. |
| 22 Ilieş, B. D.; Khandavilli, M.; Li, Y.; Kukkadapu, G.; Wagnon, S. W.; Abdul Jameel, A. G.; Sarathy, S. M., Probing the chemical kinetics of minimalist functional group gasoline surrogates. Energy & Fuels 2021, 35 (4), 3315-3332. |
| 21 李阳, 汽油和柴油掺混燃料的着火特性: 高压下的点火延迟实验和反应动力学模型的研究. 含能材料 2020, 28 (5), 407-415. |
| 20 Liu, P.; Li, Y.; Sarathy, S. M.; Roberts, W. L., Gas-to-liquid phase transition of PAH at flame temperatures. The Journal of Physical Chemistry A 2020, 124 (19), 3896-3903. |
| 19 Li, Y.; Zhao, Q.; Zhang, Y.; Huang, Z.; Sarathy, S. M., A systematic theoretical kinetics analysis for the waddington mechanism in the low-temperature oxidation of butene and butanol isomers. The Journal of Physical Chemistry A 2020, 124 (27), 5646-5656. |
| 18 Li, Y.; Shankar, V. S. B.; Yalamanchi, K. K.; Badra, J.; Nicolle, A.; Sarathy, S. M., Understanding the blending octane behaviour of unsaturated hydrocarbons: A case study of C4 molecules and comparison with toluene. Fuel 2020, 275, 117971. |
| 17 Li, Y.; Sarathy, S. M., Probing hydrogen–nitrogen chemistry: A theoretical study of important reactions in NxHy, HCN and HNCO oxidation. Int. J. Hydrogen Energy 2020, 45 (43), 23624-23637. (Highly Cited Paper) |
| 16 Li, Y.; Oommen, C.; Sarathy, S. M., Developing a theoretical approach for accurate determination of the density and thermochemical properties of energetic ionic liquids. Propellants, Explosives, Pyrotechnics 2020, 45 (12), 1949-1958. |
| 15 Chen, B.; Ilies, B. D.; Chen, W.; Xu, Q.; Li, Y.; Xing, L.; Yang, J.; Wei, L.; Hansen, N.; Pitsch, H., Exploring low temperature oxidation of 1-butene in jet-stirred reactors. Combust. Flame 2020, 222, 259-271. |
| 14 Alabbad, M.; Li, Y.; AlJohani, K.; Kenny, G.; Hakimov, K.; Al-lehaibi, M.; Emwas, A.-H.; Meier, P.; Badra, J.; Curran, H., Ignition delay time measurements of diesel and gasoline blends. Combust. Flame 2020, 222, 460-475. |
| 13 Abdul-Manan, A. F.; Won, H.-W.; Li, Y.; Sarathy, S. M.; Xie, X.; Amer, A. A., Bridging the gap in a resource and climate-constrained world with advanced gasoline compression-ignition hybrids. Applied Energy 2020, 267, 114936. |
| 12 Li, Y.; Alfazazi, A.; Mohan, B.; Tingas, E. A.; Badra, J.; Im, H. G.; Sarathy, S. M., Development of a reduced four-component (toluene/n-heptane/iso-octane/ethanol) gasoline surrogate model. Fuel 2019, 247, 164-178. |
| 11 Zhou, C.-W.; Li, Y.; Burke, U.; Banyon, C.; Somers, K. P.; Ding, S.; Khan, S.; Hargis, J. W.; Sikes, T.; Mathieu, O., An experimental and chemical kinetic modeling study of 1, 3-butadiene combustion: Ignition delay time and laminar flame speed measurements. Combust. Flame 2018, 197, 423-438. |
| 10 Li, Y.; Curran, H. J., Extensive theoretical study of the thermochemical properties of unsaturated hydrocarbons and allylic and super-allylic radicals: the development and optimization of group additivity values. The Journal of Physical Chemistry A 2018, 122 (20), 4736-4749. |
| 9 Li, Y.; Zhou, C.-W.; Somers, K. P.; Zhang, K.; Curran, H. J., The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene. Proceedings of the Combustion Institute 2017, 36 (1), 403-411. |
| 8 Li, Y.; Zhou, C.-W.; Curran, H. J., An extensive experimental and modeling study of 1-butene oxidation. Combust. Flame 2017, 181, 198-213. |
| 7 Li, Y.; Klippenstein, S. J.; Zhou, C.-W.; Curran, H. J., Theoretical kinetics analysis for H atom addition to 1, 3-butadiene and related reactions on the C4H7 potential energy surface. The Journal of Physical Chemistry A 2017, 121 (40), 7433-7445. (Highly Cited Paper) |
| 6 Li, Y., Unsaturated hydrocarbon combustion chemistry and gasoline and diesel Fuel ignition: experimental and theoretical studies. School of Chemistry, National University of Ireland, Galway, Ph. D. Thesis 2017. |
| 5 Zhou, C.-W.; Li, Y.; O’Connor, E.; Somers, K. P.; Thion, S.; Keesee, C.; Mathieu, O.; Petersen, E. L.; DeVerter, T. A.; Oehlschlaeger, M. A., A comprehensive experimental and modeling study of isobutene oxidation. Combust. Flame 2016, 167, 353-379. (Highly Cited Paper) |
| 4 Nauclér, J.; Li, Y.; Nilsson, E.; Curran, H. J.; Konnov, A., An experimental and modeling study of nitromethane+ O2+ N2 ignition in a shock tube. Fuel 2016, 186, 629-638. |
| 3 Li, Y.; O’Connor, E.; Zhou, C.-W.; Curran, H. J. In An experimental study of butene isomers and 1, 3-butadiene ignition delay times at elevated pressures, European Combustion Meeting, 2015. |
| 2 李陽; 朱寧; 蒋勇; 王謙, B214 バイオディーゼル燃料の噴霧特性に関する研究 (OS-10: 内燃機関 (1)). 熱工学コンファレンス講演論文集 2011, 2011, 249-250. |
| 1 李阳, 用印刷术生产太阳能电池的研究. 农业装备技术 2008, 34 (2), 29-30. |