Research Interests

Research involves use of computational chemistry (Density Functional Theory and ab initio calculation levels) to develop thermochemical and kinetic properties of species important to combustion or atmospheric systems. Research also develops reactions paths and kinetic parameters for complex reaction systems at a detailed level and apply the reactions in combustion models to understand and optimize a reaction process. Recent studies and publications involve studies of dissociation and oxidation reaction of cyclic ethers in combustion system.



Selected Publications

  • Thermochemical Properties and Bond Dissociation Energies for Fluorinated Methanol, CH3–xFxOH, and Fluorinated Methy...
    H. Wang, and J. W. Bozzelli
    Journal of Physical Chemistry A, Issue 35, 6998-7010, (2016)
  • Thermochemistry and Kinetic Analysis of the Unimolecular Oxiranyl Radical Dissociation Reaction: A Theoretical Stud...
    H. Wang, and J.W. Bozzelli
    ChemPhysChem, Issue 13, 1983-1992, (2016)
  • Thermochemical Properties (ΔfH°(298 K), S°(298 K), Cp(T)) and Bond Dissociation Energies for C1–C4 Normal Hydropero...
    H. Wang, and J. W. Bozzelli
    Journal of Chemical & Engineering Data, Issue 5, 1836-1849, (2016)
  • Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1–C4 Fluorinated Hydrocarbons: Fluorocarbon Grou...
    H. Wang, A. Castillo, and J. W. Bozzelli
    Journal of Physical Chemistry A, Issue 29, 8202-8215, (2015)

Education Profile

  • Ph.D., Chemistry, New Jersey Institute of Technology, New Jersey, U.S., 2016
  • Master, Chemistry, New Jersey Institute of Technology, New Jersey, U.S., 2011
  • Bachelor, Applied Chemistry (Major), Computer Science and Technology (Minor), Beijing University of Chemical Technology, Beijing, China, 2010

Professional Profile

  • 2016-present: Post-doctoral Fellow, KAUST, Thuwal, Saudi Arabia
  • 2015-2016: University Lecturer, New Jersey Institute of Technology, New Jersey, U.S.

Scientific and Professional Memberships

ACS


KAUST Affiliations

  • ​Clean Combustion Research Center

  • Division of Physical Sciences and Engineering