Associate Professor Education Education: Ph.D. Texas A&M University, College Station, Texas B.S. University of Central Florida, Orlando, Florida Research Research Areas: Physical Chemistry Environmental/Atmospheric Chemistry Research Interests: The Rotavera group focuses on the discovery of reaction mechanisms of advanced biofuels. One of the goals of our research program is to uncover the links between the molecular structure motifs of biofuels to reaction mechanisms that are relevant to combustion and atmospheric chemistry. Understanding the sequence of chain-reactions involved in ignition and reaction pathways leading to pollutant formation accelerate the development of sustainable transportation energy technologies. Gas-phase experiments are conducted using thermally initiated flow reactor experiments with GC/MS and absorption spectroscopy, and computationally using quantum chemistry and chemical kinetics modeling. Learn more at rotavera.uga.edu. Selected Publications Selected Publications: Unimolecular Reactions of 2-Methyloxetanyl and 2-Methyloxetanylperoxy Radicals A. C. Doner, N. S. Dewey, B. RotaveraJournal of Physical Chemistry A (Marsha Lester Festschrift) Publication year: 2023 Reaction Mechanisms of Alkyloxiranes for Combustion Modeling N. S. Dewey, B. RotaveraCombustion and Flame Publication year: 2023 Unimolecular Reactions of 2,4-Dimethyloxetanyl Radicals A. C. Doner, J. Zádor, B. RotaveraJournal of Physical Chemistry A (Special Issue: Combustion in a Sustainable World) Publication year: 2023 Probing O2-Dependence of Tetrahydrofuranyl Reactions via Isomer-Resolved Speciation A. L. Koritzke, N. S. Dewey, M. G. Christianson, S. Hartness, A. C. Doner, A. R. Webb, B. RotaveraCombustion and Flame (Special Issue in Honor of Jim Miller) Publication year: 2023 Simulation of the VUV Absorption Spectra of Oxygenates and Hydrocarbons: A Joint Theoretical–Experimental Study A. K. Bralick, E. C. Mitchell, A. C. Doner, A. R. Webb, M. G. Christianson, J. M. Turney, B. Rotavera, H. F. Schaefer IIIJournal of Physical Chemistry A (Krishnan Raghavachari Festschrift) Publication year: 2023 Probing O2-Dependence of Hydroperoxy-Butyl Reactions via Isomer-Resolved Speciation S. W. Hartness, N. S. Dewey, M. G. Christianson, A. L. Koritzke, A. C. Doner, A. R. Webb, B. RotaveraProceedings of the Combustion Institute Publication year: 2022 Methanol Oxidation up to 100 atm in a Supercritical Pressure Jet-Stirred Reactor Z. Wang, H. Zhao, C. Yan, Y. Lin, A. D. Lele, W. Xu, B. Rotavera, A. W. Jasper, S. J. Klippenstein, Y. JuProceedings of the Combustion Institute Publication year: 2022 Machine Learning Models for Binary Molecular Classification using VUV Absorption Spectra A. C. Doner, H. A. Moran, A. R. Webb, M. G. Christianson, A. L. Koritzke, N. S. Dewey, S. W. Hartness, B. RotaveraJournal of Quantitative Spectroscopy & Radiative Transfer Publication year: 2022 Vacuum-Ultraviolet Absorption Cross-Sections of Functionalized Four-Carbon Species A. C. Doner, A. R. Webb, N. S. Dewey, S. W. Hartness, M. G. Christianson, A. L. Koritzke, A. Larsson, K. M. Frandsen, B. RotaveraJournal of Quantitative Spectroscopy & Radiative Transfer Publication year: 2022 Synthesis of a Combustion-Relevant δ-Ketohydroperoxide through Sulfonylhydrazine Substitution Y-T. Ke, B. Gall, N. S. Dewey, B. Rotavera, E. M. FerreiraChemistry – A European Journal Publication year: 2022 Formation of Organic Acids and Carbonyl Compounds in n-Butane Oxidation via γ-Ketohydroperoxide Decomposition D. M. Popolan-Vaida, A. J. Eskola, B. Rotavera, J. F. Lockyear, Z. Wang, S. M. Sarathy, R. Caravan, J. Zádor, L. Sheps, A. Lucassen, K. Moshammer, P. Dagaut, D. L. Osborn, N. Hansen, S. R. Leone, C. A. TaatjesAngewandte Chemie Publication year: 2022 Stereoisomer-Dependent Unimolecular Reactions of 2,4-Dimethyl-Peroxy Radicals A. C. Doner, J. Zádor, B. RotaveraFaraday Discussions Publication year: 2022 Influence of Functional Groups on Low-Temperature Combustion Chemistry of Biofuels B. Rotavera, C. A. TaatjesProgress in Energy and Combustion Science Publication year: 2021 Dependence of Biofuel Ignition Chemistry on OH-Initiated Branching Fractions S. W. Hartness, B. RotaveraFrontiers Publication year: 2021 Two-Stage Aerosol Formation in Low-Temperature Combustion O. El Hajj, K. Atwi, Z. Cheng, A. L. Koritzke, M. G. Christianson, N. S. Dewey, B. Rotavera, R. SalehFuel Publication year: 2021 Isomer-Dependent Reaction Mechanisms of Cyclic Ether Intermediates: cis-2,3-Dimethyloxirane and trans-2,3-Dimethyloxirane A. C. Doner, M. M. Davis, A. L. Koritzke, M. G. Christianson, J. M. Turney, H. F. Schaefer III, L. Sheps, D. L. Osborn, C. A. Taatjes, B. RotaveraInternational Journal of Chemical Kinetics Publication year: 2020 Reaction Mechanisms of a Cyclic Ether Intermediate: Ethyloxirane M. G. Christianson, A. C. Doner, M. M. Davis, A. L. Koritzke, J. M. Turney, H. F. Schaefer III, L. Sheps, D. L. Osborn, C. A. Taatjes, B. RotaveraInternational Journal of Chemical Kinetics Publication year: 2020 Fragmentation Mechanisms from Electron-Impact Ionization of Complex Cyclic Ethers Formed in Combustion A. L. Koritzke, K. M. Frandsen, M. G. Christianson, J. C. Davis, A. C. Doner, A. Larsson, J. Breda-Nixon, B. RotaveraInternational Journal of Mass Spectrometry Publication year: 2020 Vacuum-Ultraviolet Absorption Cross-Sections of Functionalized Cyclic Hydrocarbons: Five-Membered Rings M. G. Christianson, A. C. Doner, A. L. Koritzke, A. Larsson, K. M. Frandsen, B. RotaveraJournal of Quantitative Spectroscopy & Radiative Transfer Publication year: 2020 Vacuum-Ultraviolet Absorption Cross-Sections of Functionalized Cyclic Hydrocarbons: Six-Membered Rings A. C. Doner, M. G. Christianson, J. C. Davis, A. L. Koritzke, A. Larsson, K. Frandsen, B. RotaveraJournal of Quantitative Spectroscopy & Radiative Transfer Publication year: 2019 Influence of Ether Functional Group on Ketohydroperoxide Formation in Cyclic Hydrocarbons: Tetrahydropyran and Cyclohexane J. C. Davis, A. L. Koritzke, R. L. Caravan, I. O. Antonov, M. G. Christianson, A. C. Doner, D. L. Osborn, L. Sheps, C. A. Taatjes, B. RotaveraJournal of Physical Chemistry A Publication year: 2019 Experimental and Computational Studies of Criegee Intermediate Reactions with NH3 and CH3NH2 R. Chhantyal-Pun, R. Shannon, D. P. Tew, R. L. Caravan, M. Duchi, C. Wong, A. Ingham, C. Feldman, M. R. McGillen, M. A. H. Khan, I. O. Antonov, B. Rotavera, K. Ramasesha, D. L. Osborn, C. A. Taatjes, C. Percival, D. E. Shallcross, A. Orr-EwingPhysical Chemistry Chemical Physics Publication year: 2019 QOOH-Mediated Reactions in Cyclohexene Oxidation A. L. Koritzke, J. C. Davis, R. L. Caravan, M. G. Christianson, D. L. Osborn, C. A. Taatjes, B. RotaveraProceedings of the Combustion Institute Publication year: 2018 Direct Measurement of OH and HO2 Formation in R + O2 Reactions of Cyclohexane and Tetrahydropyran M.-W. Chen, B. Rotavera, W. Chao, J. Zádor, C. A. TaatjesPhysical Chemistry Chemical Physics Publication year: 2018 The Reaction of OH with CH3OO is Not a Major Source of Atmospheric Methanol R. L. Caravan, M. A. H. Khan, J. Zádor, L. Sheps, I. O. Antonov, B. Rotavera, K. Ramasesha, K. Au, M.-W. Chen, D. Rösch, D. L. Osborn, C. Fittschen, C. Schoemaecker, M. Duncianu, A. Grira, Sebastien Dusanter, A. Tomas, C. J. Percival, D. E. Shallcross, C. A. TaatjesNature Communications Publication year: 2018 Criegee Intermediate Reactions with Carboxylic Acids: A Potential Source of Secondary Organic Aerosol in the Atmosphere R. Chhantyal-Pun, B. Rotavera, M. R. McGillen, M. A. H. Khan, A. J. Eskola, R. L. Caravan, L. Blacker, D. P. Tew, D. L. Osborn, C. J. Percival, C. A. Taatjes, D. E. Shallcross, A. J. Orr-EwingACS Earth and Space Chemistry Publication year: 2018 Direct Kinetic Study of CH2OO + Methyl Vinyl Ketone and CH2OO + Methacrolein Reactions and an Upper Limit Determination for CH2OO + CO Reaction A. J. Eskola, M. Döntgen, B. Rotavera, R. L. Caravan, O. Welz, J. D. Savee, D. L. Osborn, D. E. Shallcross, C. J. Percival, C. A. TaatjesPhysical Chemistry Chemical Physics Publication year: 2018 Influence of Oxygenation in Cyclic Hydrocarbons on Chain-Termination Reactions from R + O2: Tetrahydropyran and Cyclohexane B. Rotavera, J. D. Savee, I. O. Antonov, R. Caravan L. Sheps, D. L. Osborn, J. Zádor, C. A. TaatjesProceedings of the Combustion Institute Publication year: 2017 The Reaction of Criegee Intermediate CH2OO with Water Dimer: Primary Products and Atmospheric Impact L. Sheps, B. Rotavera, A. J. Eskola, D. L. Osborn, C. A. Taatjes, K. Au, D. E. Shallcross, M. A. H. Khan, C. PercivalPhysical Chemistry Chemical Physics Publication year: 2017 Subsequent R + O2 Chemistry of Intermediates Formed in Low-Temperature R + O2 Reactions: Potential Importance in Modeling Autoignition Behavior B. Rotavera, R. L. Caravan, C. A. Taatjes SAND Report 2017-9099, Sandia National Laboratories Publication year: 2017 Products of Criegee Intermediate Reactions with NO2: Experimental Measurements and Tropospheric Implications R. L. Caravan, M. A. H. Khan, B. Rotavera, E. Papajak, I. O. Antonov, M.-W. Chen, K. Au, W. Chao, D. L. Osborn, J. J.-M. Lin, C. J. Percival, D. E. Shallcross, C. A. TaatjesFaraday Discussions Publication year: 2017 Hydroxyacetone Production From C3 Criegee Intermediates C. A. Taatjes, F. Liu, B. Rotavera, M. Kumar, R. L. Caravan, D. L. Osborn, W. H. Thompson, M. I. LesterJournal of Physical Chemistry A Publication year: 2017 Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO R. Chhantyal-Pun, O. Welz, J. D. Savee, A. J. Eskola, E. P. F. Lee, L. Blacker, H. R. Hill, M. Ashcroft, M. A. H. Khan, G. C. Lloyd-Jones, L. Evans, D. Y. Sasaki, B. Rotavera, H. Huang, A. M. Scheer, D. L. Osborn, D. K. W. Mok, J. M. Dyke, D. E. Shallcross, C. J. Percival, A. J. Orr-Ewing, C. A. TaatjesJournal of Physical Chemistry A Publication year: 2017 Pressure-Dependent Competition Among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran I. O. Antonov, J. Zádor, B. Rotavera, E. Papajak, D. L. Osborn, C. A. Taatjes, and L. ShepsJournal of Physical Chemistry A Publication year: 2016 Direct Observation and Kinetics of a Hydroperoxyalkyl Radical (QOOH) J. D. Savee, E. Papajak, B. Rotavera, H. Huang, A. J. Eskola, O. Welz, L. Sheps, C. A. Taatjes, J. Zádor, D. L. OsbornScience Publication year: 2015 Influence of Temperature and Resonance-Stabilization on the ortho- Effect in Cymene Oxidation B. Rotavera, A. M. Scheer, H. Huang, D. L. Osborn, C. A. TaatjesProceedings of the Combustion Institute Publication year: 2015 Photoionization Mass Spectrometric Measurements of Initial Reaction Pathways in Low-Temperature Oxidation of 2,5-Dimethylhexane B. Rotavera, J. Zádor, O. Welz, L. Sheps, A. M. Scheer, J. D. Savee, M. A. Ali, T. S. Lee, B. A. Simmons, D. L. Osborn, A. Violi, C. A. TaatjesJournal of Physical Chemistry A Publication year: 2014 Rate Coefficients of C1 and C2 Criegee Intermediate Reactions with Formic and Acetic Acid Near the Collision Limit: Direct Kinetics Measurements and Atmospheric Implications O. Welz, A. J. Eskola, L. Sheps, B. Rotavera, J. D. Savee, A. M. Scheer, D. L. Osborn, D. Lowe, A. M. Booth, P. Xiao, M. A. H. Khan, C. J. Percival, D. E. Shallcross, C. A. TaatjesAngewandte Chemie Publication year: 2014 Chemical Kinetics Modeling of n-Nonane Oxidation in Oxygen/Argon using Excited-State Species Time Histories B. Rotavera, P. Dagaut, E. L. PetersenCombustion and Flame Publication year: 2014 Blending Effects on Ignition Delay Times of Methyl Octanoate/n-Nonane/Methylcyclohexane B. Rotavera, E. L. PetersenFuel Publication year: 2014 Model Predictions of Higher-Order Normal Alkane Ignition from Dilute Shock-Tube Experiments B. Rotavera, E. L. PetersenShock Waves (Invited Article) Publication year: 2013 Direct Measurements of Conformer-Dependent Reactivity of the Criegee Intermediate CH3CHOO C. A. Taatjes, O. Welz, A. J. Eskola, J. D. Savee, A. M. Scheer, D. E. Shallcross, B. Rotavera, E. P. F. Lee, J. M. Dyke, D. M. K. Mok, D. L. Osborn, C. J. PercivalScience Publication year: 2013 Ignition Behavior of Pure and Blended Methyl Octanoate, n-Nonane, and Methylcyclohexane B. Rotavera, E. L. PetersenProceedings of the Combustion Institute Publication year: 2013 Kinetics of n-Nonane Combustion: Measurements and Modeling of Ignition Delay Times and Product Concentrations B. Rotavera, C. Togbé, P. Diévart, P. Dagaut, E. L. PetersenProceedings of the Combustion Institute Publication year: 2011 Effect of Ceria Nanoparticles on Soot Inception and Growth in Toluene-Oxygen-Argon Mixtures B. Rotavera, A. Kumar, S. Seal, E. L. PetersenProceedings of the Combustion Institute Publication year: 2009
