Feng Zhang
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Feng Zhang

feng2011@ustc.edu.cn

Education

  • Sept. 2006—Mar. 2010, Ph. D. in Theoretical Chemistry at Royal Institute of Technology, Stockholm, Sweden
    Thesis: Theoretical Studies on Kinetics of Molecular Excited States (Supervisor: Prof. Yi Luo)
  • Sept. 2002—Jun.2008, Ph. D. in Physical Chemistry at Beijing Normal University, Beijing, China
    Thesis: Theoretical Study of Non-adiabatic Effects in Photochemical Reactions (Supervisor: Prof.  Weihai Fang)
  • Sept. 1998—Jun. 2002, Bachelor in Physical Education at FuYang Normal College, Fuyang, China 

Working Experience

  • Jun. 2020 – present, Associate professor at the Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, China
  • Apr. 2012 - Jun. 2020, Associate professor at the National Synchrotron Radiation Laboratory, University of Science and Technology of China, China
  • Mar. 2014 - Nov. 2014, Visiting Scholar, Argonne National Laboratory, U.S.A (working with Dr. Stephen J. Klippenstein)
  • Aug. 2011 - May 2012, Post-doctoral researcher at the National Synchrotron Radiation Laboratory, University of Science and Technology of China, China (working with Prof. Fei Qi )
  • Mar. 2010 - Jul. 2011, Post-doctoral researcher at the College of Environmental Science and Forestry, State University of New York, U.S.A (working with Prof. Theodore S. Dibble)

Current Funding

  • Reaction kinetics of excited states in plasma assisted combustion, ¥580K, 2019.01-2022.12, PI
    National Natural Science Foundation of China
  • Chemical kinetics of key excited species involved in hydrocarbon combustion, ¥648K, 2016.01-2018.12, PI
    Major Research plan of the National Natural Science Foundation of China
  • Reaction mechanism of photochemical smog from volatile organic compounds, ¥700K, 2016.07-2018.12, collobrator (total ¥1950K)
    National Key Research and Development Program of China
  • Kinetic mechanism for low temperature oxidation of typical cyclic alkanes, ¥800K, 201401-2017.12, PI
    National Natural Science Foundation of China
  • Formation mechanism of a typical combustion pollutant – naphthalene, ¥800K, 2014.01-2016.12, PI
    National Natural Science Foundation of China

Publications

  1. Hou, Q.;  Niu, S.;  Huang, C.;  Wu, X.;  Qu, W.; Zhang, F., Decomposition of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105): From thermodynamics to kinetics. International Journal of Chemical Kinetics 53 (2), 242-249, (2021).
  2. Huang, C.; Zhang, P; Wang, J.; Kang, S.; Zhang, F.; Law, C.; Yang, B. Determination of rate constants for a thermoneutral H-abstraction reaction: Allylic hydrogen abstraction from 1,5-hexadiene by allyl radical. Proceedings of the Combustion Institute. 10.1016/j.proci.2020.07.054. (2020).
  3. Wu, X.;  Huang, C.;  Niu, S.; Zhang, F., New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals. Physical Chemistry Chemical Physics 22 (39), 22279-22288, (2020).
  4. Huang, C.;  Li, S.;  Wang, J.;  Yang, B.; Zhang, F., Global uncertainty analysis for the RRKM/master equation modeling of a typical multi-well and multi-channel reaction system. Combustion and Flame 216, 62-71, (2020).
  5. Zhang, F.; Huang, C.; Wu, X.; Binbin, X.; Shen, L. An insight into the reaction kinetics of CH3 + O2(a1Δg) and its enhancement effect on methane ignition. Proceedings of the Combustion Institute. 1-8. 10.1016/j.proci.2020.07.121. (2020).
  6. Zhang, F.;  Huang, C.;  Xie, B.; Wu, X., Revisiting the chemical kinetics of CH3 + O-2 and its impact on methane ignition. Combustion and Flame 200, 125-134, (2019).
  7. Zhang, F.; Huang, C., Pressure-Dependent Kinetics of the Reaction between CH3OO and OH Focusing on the Product Yield of Methyltrioxide (CH3OOOH). Journal of Physical Chemistry Letters 10 (13), 3598-3603, (2019).
  8. Huang, C.;  Yang, B.; Zhang, F., Calculation of the absolute photoionization cross-sections for C1-C4 Criegee intermediates and vinyl hydroperoxides. Journal of Chemical Physics 150 (16),  (2019).
  9. Huang, C.;  Yang, B.;  Zhang, F.; Tian, G., Quantification of the resonance stabilized C4H5 isomers and their reaction with acetylene. Combustion and Flame 198, 334-341, (2018).
  10. Zhang, P.;  Li, S.;  Wang, Y.;  Ji, W.;  Sun, W.;  Yang, B.;  He, X.;  Wang, Z.;  Law, C. K.; Zhang, F., Measurement of reaction rate constants using RCM: A case study of decomposition of dimethyl carbonate to dimethyl ether. Combustion and Flame 183, 30-38, (2017).
  11. Xing, L.;  Zhang, L.;  Zhang, F.; Jiang, J., Theoretical kinetic studies for low temperature oxidation of two typical methylcyclohexyl radicals. Combustion and Flame 182, 216-224, (2017).
  12. Xing, L.;  Bao, J. L.;  Wang, Z.;  Zhang, F.; Truhlar, D. G., Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion. Journal of the American Chemical Society 139 (44), 15821-15835, (2017).
  13. Huang, C.;  Yang, B.; Zhang, F., Pressure-dependent kinetics on the C4H7 potential energy surface and its effect on combustion model predictions. Combustion and Flame 181, 100-109, (2017).
  14. Huang, C.;  Yang, B.; Zhang, F., Initiation mechanism of 1,3-butadiene combustion and its effect on soot precursors. Combustion and Flame 184, 167-175, (2017).
  15. Xing, L.-L.; Zhang, F.*; Zhang L. -D., Theoretical studies for reaction kinetics of cy-C6H11CH2 radical with O2, Combust. Inst., http://dx.doi.org/10.1016/j.proci.2016.08.050, 2016.
  16. Zhang, F.*; Nicolle, A.; Xing L. –L.; Klippenstein, S.J., Recombination of aromatic radicals with molecular oxygen, Combust. Inst., http://dx.doi.org/10.1016/j.proci.2016.06.021, 2016.
  17. Bian, H.-T.; Wang, Z.-D.; Sun, J.-H.; Zhang, F.*, Conformational inversion-topomerization mechanism of ethylcyclohexyl isomers and its role in combustion kinetics, Combust. Inst., http://dx.doi.org/10.1016/j.proci.2016.07.049, 2016.
  18. Sun, W.-Y; Yang, B.;* Hansen, N.; Westbrook, C., Zhang, F.; Wang, G.; Moshammer, K.; Law. C. K., An Experimental and Kinetic Modeling Study on Dimethyl Carbonate (DMC) Pyrolysis and Combustion, Flame 164, 224-238 (2016)
  19. Zhao, L.; Cheng, Z.-J; Ye, L.-L; Zhang, F.; Zhang, L.-D., Qi, F.; Li. Y.-Y., Experimental and kinetic modeling study of premixed o-xylene flames, Combust. Inst., 35, 1745-1752 (2015).
  20. Xing, L.-L.; Li, S.; Wang, Z-H.; Yang, B.; Klippenstein, S. J.; Zhang, F.,* Temperature and Pressure Dependent Uncertainty Analysis on RRKM/Master Equation Rate Constants: a Case Study for Ethanol Decomposition, Flame 162, 33427-3436 (2015).
  21. Wang, Z. –D; Bian, H.-T; Wang, Y.; Zhang L.-D.;* Li, Y.-Y.; Zhang F.*; Qi, F., Investigation on Primary Decomposition of Ethylcyclohexane at Atmospheric Pressure, Combust. Inst. 35, 367-375 (2015)
  22. Wang, Z.-D; Zhao, L.; Wang, Y.; Bian, H.-T.; Zhang, L.-D.; Zhang, F.; Li, Y.-Y.; Sarathy, S. M.; Qi F.,* Kinetics of Ethylcyclohexane Pyrolysis and Oxidation: An Experimental and Detailed Kinetic Modeling Study, Flame 162, 2873-2892 (2015).
  23. Jiao, Y.-G.; Zhang, F.; Dibble T.S.;* A Quantum Chemical Study of Autoignition of Methyl Butanoate, Phys. Chem. A, 119, 7282-7292 (2015)
  24. Bian, H.-T.; Wang, Z.-H., Zhang, F.;* Wang, Z.-D., Unimolecular Reaction Properties for the Long Chain Alkenyl Radicals, J. Chem. Kinet. 47, 685-694 (2015).
  25. Cheng, Z.-J.;, Xing, L.-L.; Zeng, M.-R.; Zhang, F.; Zhang, L.-D.; Qi, F.; Li, Y.-Y.; Experimental and Kinetic Modeling Study of 2,5-Dimethylfuran Pyrolysis at Various Pressures, Flame 161, 2496-2511 (2014)
  26. Cai, J.-H.; Yuan, W.-H.; Ye, L.-L.; Cheng, Z.-J.; Wang, Y.-Z.; Dong, W.-L.; Zhang, L.-D.; Li, Y.-Y.; Zhang, F.;* Qi. F.;,* Experimental and Kinetic Modeling Study of i-butanol Pyrolysis and Combustion, Flame 161, 1955-1971 (2014).
  27. Wang, Z.-D.; Ye, L.-L.; Yuan, W.-H.; Zhang, L.-D.; Wang, Y.-Z.; Cheng, Z.-J.; Zhang, F.;* Qi, F.;* Experimental and Kinetic Modeling Study on Methylcyclohexane Pyrolysis and Combustion, Flame 161, 84-100 (2014).
  28. Wang, Z.-H.; Zhang, Z.-D.; Zhang, F.;* Kinetics of Homoallylic/Homobenzylic Rearrangement Reactions under Combustion Conditions, Phys. Chem. A, 118, 6741-6748 (2014).   
  29. Wang, Z.-D.; Li, Y.-Y.; Zhang, F.; Zhang, L.-D.; Yuan, W.-H.; Wang, Y.-Z.; Qi, F.;* An Experimental and Kinetic Modeling Investigation on a Rich Premixed n-propylbenzene Flame at Low Pressure, Combust. Inst. 34, 1785-1793 (2013).
  30. Zhang, K.-W.; Zhang, L.-D.; Xie, M-F.; Ye, L.-L.; Zhang, F.; Glarborg, P.;*, Qi, F.,* An Experimental and Kinetic Modeling Study of Premixed Nitroethane Flames at Low Pressure, Combust. Inst. 34, 617-624 (2013).
  31. Lucassen, A.; Wang, Z.-D.; Zhang, L.-D.; Zhang, F.; Yuan, W.-H.; Wang, Y.-Z.; Qi, F.;*, Kohse-Höinghaus, K.,* An Experimental and Theoretical Study of Pyrrolidine Pyrolysis at Low Pressure, Combust. Inst. 34, 641-648 (2013).
  32. Cai, J.-H.; Yuan, W.-H.; Ye, L.-L; Cheng, Z.-J.; Wang, Y.-Z.; Zhang, L.-D.; Zhang, F.; Li, Y.-Y.; Qi, F.,* Experimental and Kinetic Modeling Study of 2-butanol Pyrolysis and Combustion, Flame 160, 1939-1957 (2013).
  33. Jia, L.-Y.; Yang, J.-Z.; Zhang, L.-D.; Zhang,;* Qi, F.;* Fan, H.-Y.; Cai, J.-B., Experimental and Theoretical Studies of Pyrolysis of Chrysophanol and its Derivatives, J. Anal. Appl. Pyro. 100, 237-244 (2013).                                                           
  34. Zhang, F.;* Wang, Z.-D.; Wang, Z.-H.; Zhang, L.-D.; Li, Y.-Y.; Qi, F., Kinetics of Decomposition and Isomerization of Methylcyclohexane: Starting Point for Studying Monoalkylated Cyclohexanes Combustion, Energy Fuels 27, 1679-1687 (2013).    
  35. Wang, Z.-D.; Cheng, Z.-J.; Yuan, W.-H.; Cai, J.-H.; Zhang, L.-D.; Zhang, F.; Qi, F.,* Wang, J., An Experimental and Kinetic Modeling Study of Cyclohexane Pyrolysis at Low Pressure, Flame 159, 2243-2253 (2012).
  36. Dibble, T. S.;* Sha, Y.; Thornton, W. F.; Zhang, F., Cis-Trans Isomerization of Chemically Activated 1-Methylallyl Radical and Fate of the Resulting 2-Buten-1-peroxy Radical, Phys. Chem. A 116, 7603-7614 (2012).
  37. Cai, J.-H.; Zhang, L.-D.; Zhang, F.; Wang, Z.-D.; Cheng, Z.-J.; Yuan, W.-H.; Qi, F.,* A Comprehensive Experimental and Kinetic Modeling Study of n-butanol Pyrolysis and Combustion, Energy Fuels 26, 5550-5568 (2012).
  38. Yang, J.-Z.; Zhang, F.; Jia, L.-Y.; Zhang, L.-D.;* Qi, F.; Fan, H.-Y.; Cai, J.-B., Experimental and Theoretical Study on Pyrolysis of Isopsoralen, J. Chem. Phys. 25, 249-253 (2012).
  39. Ye, L.-L.; Zhang, F.; Zhang, L.-D.;*, Qi F., Theoretical Studies on the Unimolecular Decomposition of Propanediols and Glycerol, Phys. Chem. A 116, 4457-4465 (2012).                                                         
  40. Zhao, L.; Ye, L.-L.; Zhang, F.;* Zhang, L.-D.,* Thermal Decompostion of 1-pentanol and its Isomers: a Theoretical study, Phys. Chem. A 116, 9238-9244 (2012).
  41. Zhang, F.; Dibble, T. S.;* Effects of olefin functional group and its position on kinetics of unimolecular reactions of peroxy radicals, Phys. Chem. A 115, 655-663 (2011).                                                
  42. Zhang, F.; Dibble, T. S.;* Impact of Tunneling Effect on Hydrogen-migration of n-propyl Peroxy Radical, Chem. Chem. Phys. 13, 17969-17977 (2011). (cover article)
  43. Ai, Y.-J.; Zhang, F.; Fang, W.-H.;* Luo, Y.;* Importance of the Intra-hydrogen Bonding on the Photochemistry of Anionic Hydroquinone (FADH-) in DNA Photolyase, Phys. Chem. Lett. 1, 743-747 (2010).
  44. Cui, G.-L.; Zhang, F.; Fang, W.-H.;* Insights into the Mechanistic Photodissociation of Methyl Formate, Chem. Phys. 132, 034306 (2010).                                        
  45. Zhang, F.; Ai, Y.-J.; Luo, Y.;* Fang, W.-H.,* Nonadiabatic Histidine Dissociation of Hexacoordinate Heme in Neuroglobin Protein, Phys. Chem. A. 114,1980-1984 (2010).
  46. Ai, Y.-J.; Zhang, F.; Fang, W.-H.;*, Luo, Y.,* Ultrafast Deactivation Processes in the 2-Aminopyridine Dimer and the A-T Base Pair: Similarities and Differences, Chem. Phys. 133, 064302 (2010).
  47. Zhang, F.; Fang, W.-H.;* Luo, Y.,* A multi-dimensional microcanonical Monte Carlo study of S-0 -> T-1 intersystem crossing of isocyanic acid, China, Ser. B-Chem., 52, 1885-1891 ( 2009).
  48. Zhang, F.; Ai, Y.-J.; Fang, W.-H.;* Luo, Y.,* Nonradiative decay of the lowest excited singlet state of 2-aminopyridine is considerably faster than the radiative decay, Chem. Phys., 130, 144315 (2009)           
  49. Fang, Q.; Zhang, F.; Fang, W.-H.;* Luo, Y.,* Photodissociation of Phosgene: Theoretical Evidence for the Ultrafast and Asynchronous Concerted Three-Body Process, Chem. Phys. 131, 164306 (2009).
  50. Cui, G.-L.; Li, Q.-S.; Zhang, F.; Fang, W.-H.;* Yu, J.-G.,* Combined CASSCF and MR-CI Study on Photoinduced Dissociation and Isomerization of Acryloyl Cholorid, Phys. Chem. A 110, 11839-11846 (2006).
  51. Zhang, F.; Ding, W.-J.; Fang, W.-H., Combined nonadiabatic transition-state theory and ab initio molecular dynamics study on selectivity of the alpha and beta bond fissions in photodissociation of bromoacetyl chloride, Chem. Phys. 125, 184305 (2006).
  52. Li, Q.-S.; Zhang, F.; Fang, W.-H.;* Yu,J.-G., Probing Mechanistic Photochemistry of Glyoxal in the Gas Phase by ab initio  Calculations  of  Potential-energy Surfaces and Adiabatic and Nonadiabatic Rates, Chem. Phys.124, 054324 (2006).                     
  53. Fang, W.-H.;* Zhang, F.; Li, Q.-S.; Chen, S.-L., Probing Mechanistic Photodissociation of Carbonyl Compounds from ab Initio Calculations, Molecular Dynamics Simulations, and non-Adiabatic Rates, Trends in Chemical Physics 13, 1-27 (2006).
  54. Li, J.; Zhang, F.; Fang, W.-H.,* Probing Photophysical and Photochemical Processes of Benzoic Acid from ab initio Calculations, Phys. Chem. A 109, 7718-7724 (2005).        
  55. Lin, L.; Zhang, F.; Fang, W.-H.,* Striving to Understand the Photophysics and Photochemistry of Thiophosgene: A Combined CASSCF and MR-CI Study, Phys. Chem. A 109, 554-561 (2005).
  56. Zhang, F.; Lin, L.; Fang, W.-H.,* Insights into Dynamics of the S2 State of Thiophosgene from ab Initio Calculations, J. Chem. Phys. 121, 6830-6834 (2004).

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