Research interests

• Chemical kinetic modeling to study:
  • The oxidation, pyrolysis and emission characteristics of hydrocarbon and oxygenated fuels, their blends and fuel surrogate components
  • Thermal decomposition of energetic        materials and hydrogen storage media
• Quantum chemical calculations
• Computational fluid dynamics (CFD) simulations
• Thermolysis experiments (TGA, DSC, FTIR)
• Process modeling and simulations

Career path

Tanusree Chatterjee earned her Ph.D. in Mechanical Engineering from The Pennsylvania State University in 2021. She joined Lawrence Livermore National Laboratory (LLNL) in May 2021 as a postdoctoral researcher in the Kinetic Modeling Team within the Reaction Dynamics Group (RDG) of the Materials Science Division (MSD). During her tenure as a postdoctoral researcher and now as a Research Scientist at LLNL, her research focuses on the development of predictive chemical kinetic models to study the combustion and emission characteristics of low-carbon fuels, their blends, and fuel surrogates. In addition to kinetic modeling, she has expanded her research to include hydrogen production and storage technologies, with efforts in process modeling for liquid organic hydrogen carriers (LOHCs) and computational fluid dynamics (CFD) simulations for steam methane reforming.

Selected publications

T Chatterjee, C Saggese, X Xue, G Kukkadapu, WJ Pitz, SW Wagnon, C-J Sung, “Experimental and kinetic modeling of soot formation in counterflow non-premixed flames of surrogate fuel components: n-dodecane and iso-dodecane”, Proceedings of the Combustion Institute 40 (2024) 105368.

T Chatterjee, M Wang, SW Wagnon, G Kukkadapu, C-J Sung, WJ Pitz, “Autoignition of cyclohexane at low-to-intermediate temperatures: Rapid compression machine experiments and improved comprehensive chemical kinetic model”, Combustion and Flame 259 (2024) 113187.

SP Cooper, N Naser, T Chatterjee, Y Kim, G Kukkadapu, GM Fioroni, S Kim, O Mathieu, EL Petersen, WJ Pitz, R McCormick “An experimental and chemical kinetic modeling study of 4-butoxyheptane combustion”, Combustion and Flame 267 (2024) 113568.

T Chatterjee, M Khichar, ST Thynell, “Investigation of thermal decomposition processes of HMX and TAGzT mixtures using thermolysis experiments and quantum chemical calculations”, International Journal of Energetic Materials and Chemical Propulsion 23 (2024) 71-84.

T Chatterjee, C Saggese, S Dong, V Patel, KS Lockwood, HJ Curran, NJ Labbe, SW Wagnon, WJ Pitz, “Experimental and kinetic modeling study of the low-temperature and high-pressure combustion chemistry of straight chain pentanol isomers: 1-, 2-and 3-Pentanol”, Proceedings of the Combustion Institute 39 (2023) 265-274.

S Dong, SW Wagnon, LP Maffei, G Kukkadapu, A Nobili, Q Mao, M Pelucchi, L Cai, K Zhang, M Raju, T Chatterjee, WJ Pitz, T Faravelli, H Pitsch, PK Senecal, HJ Curran, “A new detailed kinetic model for surrogate fuels: C3MechV3. 3”, Applications in Energy and Combustion Science 9 (2022) 100043.

T Chatterjee, ST Thynell, “Quantum chemical investigation of perchloric acid decomposition releasing oxygen”, Journal of Physical Chemistry A 125 (2021) 7520-7533.

T Chatterjee, ST Thynell, “Development of a reaction mechanism for liquid-phase decomposition of ammonia borane”, Thermochimica Acta 682 (2019) 178427.

T Chatterjee, ST Thynell, “Quantum mechanics investigation on initial decomposition of ammonia borane in glyme”, International Journal of Chemical Kinetics 50 (2018) 568-581.