Publications

Found 243 results
2018
Long AE, Barbano H, Speth RL, Movaghar A, Egolfopoulos FN, Green WH.  2018.  An apparatus-independent extinction strain rate in counter-flow flames. Proceedings of the Combustion Institute.
Keceli M, Elliott S, Li Y-P, Johnson MS, Cavallotti C, Georgievsk, ii Y, Green WH, Pelucchi M, Wozniak JM, Jasper AW et al..  2018.  Automated Computational Thermochemistry for Butane Oxidation: A Prelude to Predictive Automated Combustion Kinetics. Proceedings of the Combustion Institute.
Dana AG, Buesser B, Merchant SS, Green WH.  2018.  Automated Reaction Mechanism Generation Including Heteroatoms: Nitrogen. International Journal of Chemical Kinetics. 50:223-258.
Liu M, Green WH.  2018.  Capturing Aromaticity in Automated Mechanism Generation Software. Proceedings of the Combustion Institute.
Lai L, Gudiyella S, Liu M, Green WH.  2018.  Chemistry of Alkylaromatics Reconsidered. Energy & Fuels. 32:5489-5500.
Middaugh JE, Buras ZJ, Matrat M, Chu T-C, Kim Y-S, Alecu IM, Vasiliou AGK, C. Goldsmith F, H. William G.  2018.  A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching. Review of Scientific Instruments. 89(7)
Vervust AJ, Djokic MR, Merchant SS, Carstensen H-H, Long AE, Marin GB, Green WH, Van Geem KM.  2018.  Detailed experimental and modeling study of cyclopentadiene pyrolysis in the presence of ethene. Energy & Fuels. 32:3290-3934.
Long AE, Speth RL, Green WH.  2018.  Ember: an open-source transient solver for 1-d reacting flow using large kinetic models, applied to strained extinction. Combustion & Flame.
Gudiyella S, Lai L, Borne IH, Tompsett GA, Timko MT, Choi K-H, Alabsi MH, Green WH.  2018.  An experimental and modeling study of vacuum residue upgrading in supercritical water. AIChE Journal. 64:1732-1743.
Zhang K, Lokachari N, Ninnemann E, Khanniche S, Green WH, Curran HJ, Vasu SS, Pitz W.  2018.  An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone. Proceedings of the Combustion Institute.
Han K, Jamal A, Grambow CM, Buras ZJ.  2018.  An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation. International Journal of Chemical Kinetics. 50:294-303.
Coley CW, Green WH, Jensen KF.  2018.  Machine Learning in Computer-Aided Synthesis Planning. Accounts of Chemical Research.
Gudiyella S, Buras ZJ, Chu T-C, Lengyel I, Pannala S, Green WH.  2018.  Modeling Study of High Temperature Pyrolysis of Natural Gas. Industrial & Engineering Chemistry Research. 57(22):7420.
Zhang P, Yee NW, Filip SV, Hetrick CE, Yang B, Green WH.  2018.  Modeling Study of the anti-knock tendency of substituted phenols as additives: An application of the Reaction Mechanism Generator (RMG)�,. Physical Chemistry Chemical Physics.
Vereecken L, Aumont B, Barnes I, Bozzelli JW, Gillen M.R, Mellouki A., Goldman MA, Green WH, Madronich S., Orlando J.J et al..  2018.  Perspective on Mechanism Development and Structure-Activity Relationships for Gas-phase Atmospheric Chemistry. International Journal of Chemical Kinetics. 50:435-469.
Buras ZJ, Chu T-C, Jamal A, Yee NW, Middaugh JE, H. William G.  2018.  Phenyl Radical + Propene: A Prototypical Reaction Surface for Aromatic-Catalyzed 1-Hydrogen-Migration and Subsequent Resonance-Stabilized Radical Formation. Physical Chemistry Chemical Physics. 20(19):13214.
Long AE, Merchant SS, Vandeputte AG, Carstensen H-H, Vervust AJ, Marin GB, Van Geem KM, Green WH.  2018.  Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination. Combustion & Flame. 187:247-256.
Coley CW, Rogers L, Green WH, Jensen KF.  2018.  SCScore: Synthetic Complexity Learned from a Reaction Corpus. Journal of Chemical Information and Modeling.
Gillis RJ, Al-Ali K, Green WH.  2018.  Thermochemical Production of Hydrogen from Hydrogen Sulfide with Iodine Thermochemical Cycles. International Journal of Hydrogen Energy.
Grambow CM, Jamal A, Li Y-P, Green WH, Zador J, Suleimanov YV.  2018.  Unexpected Unimolecular Reaction Pathways of a ?-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods Journal of the American Chemical Society. 140:1035-1048.

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