(一) 代表性论文: 1. Mengna. Bai, E. Huo, W. Zhuang, J. Wang, Co-pyrolysis mechanism of 1,1,1,2-tetrafluoroethane and soapstock: ReaxFF molecular dynamic and density functional theory study, Journal of Environmental Chemical Engineering 2026(14) 120862. 2. H. Wu, Z. Du, S. Song, Y. Gui, E. Huo, Mengna Bai*, Bioinspired waste corncob-derived evaporator for stable solar evaporation, Applied Thermal Engineering, 2025 127394. 3. L. Kou, J. Guo, J. Wang, Mengna Bai*, E. Huo, Jet Fuel Range Products Produced from Catalytic Pyrolysis of Low-Density Polyethylene with a Bimetallic Mg-Mo/Biochar Catalyst, ACS Sustainable Chemistry & Engineering, 2025(12) 4661-4671. 4. Mengna Bai, J. Wang, S. Zhang, E. Huo, S. Wang, S. Cai, Enhanced production of syngas from supercritical water gasification of lignin in a CO2 atmosphere: ReaxFF molecular dynamic simulation and DFT calculation study, International Journal of Biological Macromolecules, 2025(319) 145512. 5. Mengna Bai; Erguang Huo*; Shukun Wang; Shouyin Cai; Shijie Zhang; Supercritical water co- gasification of waste R134a and plastics to produce valuable chemicals and fuels: ReaxFF reactive molecular dynamic simulation, Journal of Environmental Chemical Engineering, 2024, 12:114407. 6. Mengna Bai, E. Huo, J. Wang, Q. Zhang, S. Wang, S. Cai, S. Zhang, ReaxFF reactive molecular dynamic and density functional theory study on the co-pyrolysis mechanism of waste 1,1,1,2-tetrafluoroethane and waste plastics to produce high value-added chemicals and fuels, Energy, 2024(299) 131505. 7. S. Song, E. Huo*, Mengna Bai*, G. Yin, Y. Zhang, S. Wang, S. Zhang, S. Cai, Plant transpiration inspired biomass-derived solar evaporator for highly efficient solar vapor generation, Separation and Purification Technology, 2024(354) 129413. 8. Mengna Bai, E. Huo*, Y. Sun, S. Wang, Y. Zhao, Q. Zhang, C. Wang, R. Zou, M. Qian, H. Lei, Supercritical water co-gasification mechanism of lignin and low density polyethylene into syngas: ReaxFF molecular dynamic simulation and density functional theory calculation study, Fuel Processing Technology, 2023(250) 107877. 9. Z. Song, Mengna Bai*, Z. Yang, H. Lei, M. Qian, Y. Zhao, R. Zou, C. Wang, E. Huo*, Gasification of α-O-4 linkage lignin dimer in supercritical water into hydrogen and carbon monoxide: Reactive molecular dynamic simulation study, Fuel, 2022(329) 125387. 10. Mengna Bai*,Z. Song, Z. Yang, Y. Liu, M. Qian, R.Zou, H. Lei, Y. Zhang, E. Huo*, Catalytic co-pyrolysis of low-density polyethylene (LDPE) and lignin for jet fuel range hydrocarbons over activated carbon catalyst, International Journal of Energy Research, 2022(13) 18529-18539. 11. E. Huo*, S. Wang, Mengna Bai*, The thermal decomposition and interaction mechanism of HFC-245fa/ HFC-227ea mixture: A reactive molecular dynamic simulation and density functional method calculation study, Computational and Theoretical Chemistry, 2022(1217) 113935. 12. Mengna Bai; Zhitao Feng; Jun Li; Dean J. Tantillo*; Bouncing off walls - widths of exit channels from shallow minima can dominate selectivity control, Chemical Science, 2020, 11(36): 993 7-9944. |