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Brandon Rotavera

Blurred image of a green laser used as background for stylistic purposes.
Associate Professor
Education:

Ph.D. Texas A&M University, College Station, Texas

B.S. University of Central Florida, Orlando, Florida

 

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:

Alkylperoxy Radicals are Responsible for the Formation of Oxygenated Primary Organic Aerosol
O. El Hajj, S. W. Hartness, G. W. Vandergrift, Y. Park, C. K. Glenn, A. Anosike, A. R. Webb, N. S. Dewey, A. C. Doner, Z. Cheng, G. S. Jatana, M. Moses-DeBusk, S. China, B. Rotavera, R. Saleh
Science Advances
Publication year: 2023

Unimolecular Reactions of 2-Methyloxetanyl and 2-Methyloxetanylperoxy Radicals
A. C. Doner, N. S. Dewey, B. Rotavera
Journal of Physical Chemistry A (Marsha Lester Festschrift)
Publication year: 2023

Reaction Mechanisms of Alkyloxiranes for Combustion Modeling
N. S. Dewey, B. Rotavera
Combustion and Flame
Publication year: 2023

Unimolecular Reactions of 2,4-Dimethyloxetanyl Radicals
A. C. Doner, J. Zádor, B. Rotavera
Journal 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. Rotavera
Combustion 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 III
Journal 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. Rotavera
Proceedings 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. Ju
Proceedings 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. Rotavera
Journal 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. Rotavera
Journal 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. Ferreira
Chemistry – 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. Taatjes
Angewandte Chemie
Publication year: 2022

Stereoisomer-Dependent Unimolecular Reactions of 2,4-Dimethyl-Peroxy Radicals
A. C. Doner, J. Zádor, B. Rotavera
Faraday Discussions
Publication year: 2022

Influence of Functional Groups on Low-Temperature Combustion Chemistry of Biofuels
B. Rotavera, C. A. Taatjes
Progress in Energy and Combustion Science
Publication year: 2021

Dependence of Biofuel Ignition Chemistry on OH-Initiated Branching Fractions
S. W. Hartness, B. Rotavera
Frontiers
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. Saleh
Fuel
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. Rotavera
International 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. Rotavera
International 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. Rotavera
International 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. Rotavera
Journal 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. Rotavera
Journal 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. Rotavera
Journal 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-Ewing
Physical 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. Rotavera
Proceedings 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. Taatjes
Physical 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. Taatjes
Nature 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-Ewing
ACS 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. Taatjes
Physical 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. Taatjes
Proceedings 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. Percival
Physical 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. Taatjes
Faraday 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. Lester
Journal 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. Taatjes
Journal 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. Sheps
Journal 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. Osborn
Science
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. Taatjes
Proceedings 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. Taatjes
Journal 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. Taatjes
Angewandte 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. Petersen
Combustion and Flame
Publication year: 2014

Blending Effects on Ignition Delay Times of Methyl Octanoate/n-Nonane/Methylcyclohexane
B. Rotavera, E. L. Petersen
Fuel
Publication year: 2014

Model Predictions of Higher-Order Normal Alkane Ignition from Dilute Shock-Tube Experiments
B. Rotavera, E. L. Petersen
Shock 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. Percival
Science
Publication year: 2013

Ignition Behavior of Pure and Blended Methyl Octanoate, n-Nonane, and Methylcyclohexane
B. Rotavera, E. L. Petersen
Proceedings 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. Petersen
Proceedings 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. Petersen
Proceedings of the Combustion Institute
Publication year: 2009

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