Phillip R. Westmoreland - Publications

1974-1979 Chemical Technology Division Oak Ridge National Laboratory, Oak Ridge, TN, United States 
 1986-2009 Chemical Engineering University of Massachusetts, Amherst, Amherst, MA 
 2009- Chemical and Biomolecular Engineering North Carolina State University, Raleigh, NC 
Chemical Engineering

75 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Zulueta B, Tulyani SV, Westmoreland PR, Frisch MJ, Petersson EJ, Petersson GA, Keith JA. A Bond-Energy/Bond-Order and Populations Relationship. Journal of Chemical Theory and Computation. PMID 35849729 DOI: 10.1021/acs.jctc.2c00334  0.734
2021 Clark JA, Thacker PJ, McGill CJ, Miles JR, Westmoreland PR, Efimenko K, Genzer J, Santiso EE. DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol. The Journal of Physical Chemistry. A. PMID 34101445 DOI: 10.1021/acs.jpca.1c00850  0.77
2020 Bose A, Westmoreland PR. Predicting Total Electron-Ionization Cross Sections and GC-MS Calibration Factors Using Machine Learning. The Journal of Physical Chemistry. A. PMID 33275443 DOI: 10.1021/acs.jpca.0c06308  0.73
2020 Tian Y, Dudek RB, Westmoreland PR, Li F. Effect of Sodium Tungstate Promoter on the Reduction Kinetics of CaMn0.9Fe0.1O3 for Chemical Looping – Oxidative Dehydrogenation of Ethane Chemical Engineering Journal. 398: 125583. DOI: 10.1016/J.Cej.2020.125583  0.369
2018 Al-Nu'airat J, Dlugogorski BZ, Gao X, Zeinali N, Skut J, Westmoreland PR, Oluwoye I, Altarawneh M. Reaction of phenol with singlet oxygen. Physical Chemistry Chemical Physics : Pccp. 21: 171-183. PMID 30516179 DOI: 10.1039/C8Cp04852E  0.383
2018 McGill CJ, Westmoreland PR. Monosaccharide Isomer Interconversions Become Significant at High Temperatures. The Journal of Physical Chemistry. A. PMID 30484643 DOI: 10.1021/Acs.Jpca.8B07217  0.774
2018 Fenard Y, Gil A, Vanhove G, Carstensen H, Van Geem KM, Westmoreland PR, Herbinet O, Battin-Leclerc F. A model of tetrahydrofuran low-temperature oxidation based on theoretically calculated rate constants Combustion and Flame. 191: 252-269. DOI: 10.1016/J.Combustflame.2018.01.006  0.405
2017 Al-Nu'airat J, Altarawneh MK, Gao X, Westmoreland PR, Dlugogorski BZ. Reaction of Aniline with Singlet Oxygen (O2(1)Δg). The Journal of Physical Chemistry. A. PMID 28406298 DOI: 10.1021/Acs.Jpca.7B00765  0.363
2017 Siddique K, Altarawneh MK, Gore J, Westmoreland PR, Dlugogorski BZ. Hydrogen Abstraction from Hydrocarbons by NH2. The Journal of Physical Chemistry. A. PMID 28225281 DOI: 10.1021/Acs.Jpca.6B12890  0.431
2017 Oluwoye I, Dlugogorski BZ, Gore J, Westmoreland PR, Altarawneh M. Enhanced ignition of biomass in presence of NOx Fire Safety Journal. 91: 235-242. DOI: 10.1016/J.Firesaf.2017.03.042  0.385
2017 Needham CD, Westmoreland PR. Combustion and flammability chemistry for the refrigerant HFO-1234yf (2,3,3,3-tetrafluroropropene) Combustion and Flame. 184: 176-185. DOI: 10.1016/J.Combustflame.2017.06.004  0.775
2016 Seshadri V, Westmoreland PR. Roles of hydroxyls in the noncatalytic and catalyzed formation of levoglucosan from glucose Catalysis Today. 269: 110-121. DOI: 10.1016/J.Cattod.2015.10.033  0.6
2013 Labbe NJ, Seshadri V, Kasper T, Hansen N, Oßwald P, Westmoreland PR. Flame chemistry of tetrahydropyran as a model heteroatomic biofuel Proceedings of the Combustion Institute. 34: 259-267. DOI: 10.1016/j.proci.2012.07.027  0.313
2013 Li S, Davidson DF, Hanson RK, Labbe NJ, Westmoreland PR, Oßwald P, Kohse-Höinghaus K. Shock tube measurements and model development for morpholine pyrolysis and oxidation at high pressures Combustion and Flame. 160: 1559-1571. DOI: 10.1016/J.Combustflame.2013.03.027  0.715
2012 Seshadri V, Westmoreland PR. Concerted reactions and mechanism of glucose pyrolysis and implications for cellulose kinetics. The Journal of Physical Chemistry. A. 116: 11997-2013. PMID 23082925 DOI: 10.1021/Jp3085099  0.615
2012 Hansen N, Miller JA, Klippenstein SJ, Westmoreland PR, Kohse-Höinghaus K. Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels Combustion, Explosion, and Shock Waves. 48: 508-515. DOI: 10.1134/S0010508212050024  0.419
2011 Kasper T, Lucassen A, Jasper AW, Li W, Westmoreland PR, Kohse-Höinghaus K, Yang B, Wang J, Cool TA, Hansen N. Identification of tetrahydrofuran reaction pathways in premixed flames Zeitschrift Fur Physikalische Chemie. 225: 1237-1270. DOI: 10.1524/Zpch.2011.0163  0.468
2011 Smith KD, Bruns M, Stoliarov SI, Nyden MR, Ezekoye OA, Westmoreland PR. Assessing the effect of molecular weight on the kinetics of backbone scission reactions in polyethylene using reactive molecular dynamics Polymer. 52: 3104-3111. DOI: 10.1016/J.Polymer.2011.04.035  0.724
2011 Li W, Law ME, Westmoreland PR, Kasper T, Hansen N, Kohse-Höinghaus K. Multiple benzene-formation paths in a fuel-rich cyclohexane flame Combustion and Flame. 158: 2077-2089. DOI: 10.1016/J.Combustflame.2011.03.014  0.599
2011 Lucassen A, Labbe N, Westmoreland PR, Kohse-Höinghaus K. Combustion chemistry and fuel-nitrogen conversion in a laminar premixed flame of morpholine as a model biofuel Combustion and Flame. 158: 1647-1666. DOI: 10.1016/J.Combustflame.2011.02.010  0.745
2011 Frassoldati A, Faravelli T, Ranzi E, Kohse-Höinghaus K, Westmoreland PR. Kinetic modeling study of ethanol and dimethyl ether addition to premixed low-pressure propene–oxygen–argon flames Combustion and Flame. 158: 1264-1276. DOI: 10.1016/J.Combustflame.2010.12.015  0.4
2010 Hansen N, Li W, Law ME, Kasper T, Westmoreland PR, Yang B, Cool TA, Lucassen A. The importance of fuel dissociation and propargyl + allyl association for the formation of benzene in a fuel-rich 1-hexene flame. Physical Chemistry Chemical Physics : Pccp. 12: 12112-22. PMID 20820554 DOI: 10.1039/C0Cp00241K  0.638
2010 Kohse-Höinghaus K, Osswald P, Cool TA, Kasper T, Hansen N, Qi F, Westbrook CK, Westmoreland PR. Biofuel combustion chemistry: from ethanol to biodiesel. Angewandte Chemie (International Ed. in English). 49: 3572-97. PMID 20446278 DOI: 10.1002/Anie.200905335  0.334
2009 Huynh LK, Zhang HR, Zhang S, Eddings E, Sarofim A, Law ME, Westmoreland PR, Truong TN. Kinetics of enol formation from reaction of OH with propene. The Journal of Physical Chemistry. A. 113: 3177-85. PMID 19271758 DOI: 10.1021/Jp808050J  0.726
2009 Wang J, Chaos M, Yang B, Cool TA, Dryer FL, Kasper T, Hansen N, Osswald P, Kohse-Höinghaus K, Westmoreland PR. Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies. Physical Chemistry Chemical Physics : Pccp. 11: 1328-39. PMID 19224033 DOI: 10.1039/B815988B  0.421
2009 Lin YC, Cho J, Tompsett GA, Westmoreland PR, Huber GW. Kinetics and mechanism of cellulose pyrolysis Journal of Physical Chemistry C. 113: 20097-20107. DOI: 10.1021/Jp906702P  0.388
2009 Hansen N, Cool TA, Westmoreland PR, Kohse-Höinghaus K. Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry Progress in Energy and Combustion Science. 35: 168-191. DOI: 10.1016/J.Pecs.2008.10.001  0.372
2009 Hansen N, Miller JA, Westmoreland PR, Kasper T, Kohse-Höinghaus K, Wang J, Cool TA. Isomer-specific combustion chemistry in allene and propyne flames Combustion and Flame. 156: 2153-2164. DOI: 10.1016/J.Combustflame.2009.07.014  0.437
2009 Kasper T, Oßwald P, Struckmeier U, Kohse-Höinghaus K, Taatjes C, Wang J, Cool T, Law M, Morel A, Westmoreland P. Combustion chemistry of the propanol isomers — investigated by electron ionization and VUV-photoionization molecular-beam mass spectrometry Combustion and Flame. 156: 1181-1201. DOI: 10.1016/J.Combustflame.2009.01.023  0.567
2008 Wang J, Struckmeier U, Yang B, Cool TA, Osswald P, Kohse-Höinghaus K, Kasper T, Hansen N, Westmoreland PR. Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. The Journal of Physical Chemistry. A. 112: 9255-65. PMID 18505242 DOI: 10.1021/Jp8011188  0.361
2008 Taatjes CA, Hansen N, Osborn DL, Kohse-Höinghaus K, Cool TA, Westmoreland PR. "Imaging" combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry. Physical Chemistry Chemical Physics : Pccp. 10: 20-34. PMID 18075680 DOI: 10.1039/B713460F  0.421
2008 Mosurkal R, Samuelson LA, Smith KD, Westmoreland PR, Parmar VS, Yan F, Kumar J, Watterson AC. Nanocomposites of TiO2and Siloxane Copolymers as Environmentally Safe Flame-Retardant Materials† Journal of Macromolecular Science, Part A. 45: 942-946. DOI: 10.1080/10601320802380208  0.538
2008 Pandey MK, Chandekar A, Tyagi R, Parmar VS, Tucci VB, Smith KD, Westmoreland PR, Mosurkal R, Kumar J, Watterson AC. Design and lipase catalyzed synthesis of 4-methylcoumarin-siloxane hybrid copolymers Journal of Macromolecular Science, Part a: Pure and Applied Chemistry. 45: 926-931. DOI: 10.1080/10601320802380133  0.548
2008 Ranganathan T, Beaulieu M, Zilberman J, Smith KD, Westmoreland PR, Farris RJ, Coughlin EB, Emrick T. Thermal degradation of deoxybenzoin polymers studied by pyrolysis-gas chromatography/mass spectrometry Polymer Degradation and Stability. 93: 1059-1066. DOI: 10.1016/J.Polymdegradstab.2008.03.021  0.575
2007 Hansen N, Klippenstein SJ, Westmoreland PR, Kasper T, Kohse-Höinghaus K, Wang J, Cool TA. A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames. Physical Chemistry Chemical Physics : Pccp. 10: 366-74. PMID 18174978 DOI: 10.1039/B711578D  0.34
2007 Osswald P, Struckmeier U, Kasper T, Kohse-Höinghaus K, Wang J, Cool TA, Hansen N, Westmoreland PR. Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. The Journal of Physical Chemistry. A. 111: 4093-101. PMID 17388390 DOI: 10.1021/Jp068337W  0.395
2007 Hansen N, Kasper T, Klippenstein SJ, Westmoreland PR, Law ME, Taatjes CA, Kohse-Höinghaus K, Wang J, Cool TA. Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. The Journal of Physical Chemistry. A. 111: 4081-92. PMID 17300183 DOI: 10.1021/Jp0683317  0.601
2007 Smith KD, Stoliarov SI, Nyden MR, Westmoreland PR. RMDff: A smoothly transitioning, forcefield-based representation of kinetics for reactive molecular dynamics simulations Molecular Simulation. 33: 361-368. DOI: 10.1080/08927020601156392  0.719
2007 Cool TA, Wang J, Hansen N, Westmoreland PR, Dryer FL, Zhao Z, Kazakov A, Kasper T, Kohse-Höinghaus K. Photoionization mass spectrometry and modeling studies of the chemistry of fuel-rich dimethyl ether flames Proceedings of the Combustion Institute. 31: 285-293. DOI: 10.1016/j.proci.2006.08.044  0.301
2007 Law ME, Westmoreland PR, Cool TA, Wang J, Hansen N, Taatjes CA, Kasper T. Benzene precursors and formation routes in a stoichiometric cyclohexane flame Proceedings of the Combustion Institute. 31: 565-573. DOI: 10.1016/j.proci.2006.07.259  0.484
2007 Hansen N, Miller JA, Taatjes CA, Wang J, Cool TA, Law ME, Westmoreland PR. Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames Proceedings of the Combustion Institute. 31: 1157-1164. DOI: 10.1016/j.proci.2006.07.045  0.476
2006 Hansen N, Klippenstein SJ, Miller JA, Wang J, Cool TA, Law ME, Westmoreland PR, Kasper T, Kohse-Höinghaus K. Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations. The Journal of Physical Chemistry. A. 110: 4376-88. PMID 16571041 DOI: 10.1021/Jp0569685  0.56
2006 Hansen N, Klippenstein SJ, Taatjes CA, Miller JA, Wang J, Cool TA, Yang B, Yang R, Wei L, Huang C, Wang J, Qi F, Law ME, Westmoreland PR. Identification and chemistry of C4H3 and C4H5 isomers in fuel-rich flames. The Journal of Physical Chemistry. A. 110: 3670-8. PMID 16526650 DOI: 10.1021/Jp056769L  0.549
2006 Taatjes CA, Hansen N, Miller JA, Cool TA, Wang J, Westmoreland PR, Law ME, Kasper T, Kohse-Höinghaus K. Combustion chemistry of enols: possible ethenol precursors in flames. The Journal of Physical Chemistry. A. 110: 3254-60. PMID 16509650 DOI: 10.1021/Jp0547313  0.595
2005 Taatjes CA, Klippenstein SJ, Hansen N, Miller JA, Cool TA, Wang J, Law ME, Westmoreland PR. Synchrotron photoionization measurements of combustion intermediates: photoionization efficiency and identification of C3H2 isomers. Physical Chemistry Chemical Physics : Pccp. 7: 806-13. PMID 19791365 DOI: 10.1039/B417160H  0.564
2005 Taatjes CA, Hansen N, McIlroy A, Miller JA, Senosiain JP, Klippenstein SJ, Qi F, Sheng L, Zhang Y, Cool TA, Wang J, Westmoreland PR, Law ME, Kasper T, Kohse-Höinghaus K. Enols are common intermediates in hydrocarbon oxidation. Science (New York, N.Y.). 308: 1887-9. PMID 15890844 DOI: 10.1126/Science.1112532  0.559
2005 Cool TA, McIlroy A, Qi F, Westmoreland PR, Poisson L, Peterka DS, Ahmed M. Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source Review of Scientific Instruments. 76. DOI: 10.1063/1.2010307  0.316
2005 Ruscic B, Boggs JE, Burcat A, Császár AG, Demaison J, Janoschek R, Martin JML, Morton ML, Rossi MJ, Stanton JF, Szalay PG, Westmoreland PR, Zabel F, Bérces T. IUPAC critical evaluation of thermochemical properties of selected radicals. Part I Journal of Physical and Chemical Reference Data. 34: 573-588. DOI: 10.1063/1.1724828  0.321
2005 Cool TA, Nakajima K, Taatjes CA, McIlroy A, Westmoreland PR, Law ME, Morel A. Studies of a fuel-rich propane flame with photoionization mass spectrometry Proceedings of the Combustion Institute. 30: 1681-1688. DOI: 10.1016/j.proci.2004.08.103  0.469
2004 Nyden MR, Stoliarov SI, Westmoreland PR, Guo ZX, Jee C. Applications of reactive molecular dynamics to the study of the thermal decomposition of polymers and nanoscale structures Materials Science and Engineering A. 365: 114-121. DOI: 10.1016/J.Msea.2003.09.060  0.625
2004 Kumar R, Tyagi R, Parmar V, Samuelson L, Kumar J, Schoemann A, Westmoreland P, Watterson A. Biocatalytic Synthesis of Highly Flame Retardant Inorganic–Organic Hybrid Polymers Advanced Materials. 16: 1515-1520. DOI: 10.1002/Adma.200400241  0.753
2003 Cool TA, Nakajima K, Mostefaoui TA, Qi F, Mcllroy A, Westmoreland PR, Law ME, Poisson L, Peterka DS, Ahmed M. Selective detection of isomers with photoionization mass spectrometry for studies of hydrocarbon flame chemistry Journal of Chemical Physics. 119: 8356-8365. DOI: 10.1063/1.1611173  0.569
2003 Zhang H, Farris RJ, Westmoreland PR. Low flammability and thermal decomposition behavior of poly(3,3′-dihydroxybiphenylisophthalamide) and its derivatives Macromolecules. 36: 3944-3954. DOI: 10.1021/Ma021764X  0.613
2003 Stoliarov SI, Westmoreland PR. Mechanism of the thermal decomposition of bisphenol C polycarbonate: Nature of its fire resistance Polymer. 44: 5469-5475. DOI: 10.1016/S0032-3861(03)00576-7  0.645
2002 Stoliarov SI, Westmoreland PR, Nyden MR, Forney GP. A reactive molecular dynamics model of thermal decomposition in polymers: I. Poly(methyl methacrylate) Polymer. 44: 883-894. DOI: 10.1016/S0032-3861(02)00761-9  0.629
2002 Zhang H, Westmoreland PR, Farris RJ, Coughlin EB, Plichta A, Brzozowski ZK. Thermal decomposition and flammability of fire-resistant, UV/visible-sensitive polyarylates, copolymers and blends Polymer. 43: 5463-5472. DOI: 10.1016/S0032-3861(02)00427-5  0.349
2001 Westmoreland PR, Inguilizian T, Rotem K. Flammability kinetics from TGA/DSC/GCMS, microcalorimetry and computational quantum chemistry Thermochimica Acta. 367: 401-405. DOI: 10.1016/S0040-6031(00)00661-4  0.703
1999 Bui P-, Vlachos DG, Westmoreland PR. On the local stability of multiple solutions and oscillatory dynamics of spatially distributed flames Combustion and Flame. 117: 307-322. DOI: 10.1016/S0010-2180(98)00097-2  0.363
1998 Bhargava A, Westmoreland PR. MBMS analysis of a fuel-lean ethylene flame Combustion and Flame. 115: 456-467. DOI: 10.1016/S0010-2180(98)00018-2  0.676
1998 Linteris G, Burgess D, Babushok V, Zachariah M, Tsang W, Westmoreland P. Inhibition of Premixed Methane–Air Flames by Fluoroethanes and Fluoropropanes Combustion and Flame. 113: 164-180. DOI: 10.1016/S0010-2180(97)00216-2  0.328
1998 Bhargava A, Westmoreland PR. Measured Flame Structure and Kinetics in a Fuel-Rich Ethylene Flame 11This report was prepared as an account of work sponsored by the United States Government. Neither the United States nor the Department of Energy, nor any of their employees, nor any of their contractors, subcontractors, or their employees, makes any warranty, express or applied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed or represents that its use would not infringe privately owned rights. Combustion and Flame. 113: 333-347. DOI: 10.1016/S0010-2180(97)00208-3  0.664
1997 Bui P-, Wilder EA, Vlachos DG, Westmoreland PR. Hierarchical Reduced Models for Catalytic Combustion: H2/Air Mixtures Near Platinum Surfaces Combustion Science and Technology. 129: 243-275. DOI: 10.1080/00102209708935728  0.375
1997 Bui PA, Vlachos DG, Westmoreland PR. Modeling Ignition of Catalytic Reactors with Detailed Surface Kinetics and Transport: Oxidation of H2/Air Mixtures over Platinum Surfaces Industrial & Engineering Chemistry Research. 36: 2558-2567. DOI: 10.1021/Ie960577I  0.366
1997 Bui P-, Vlachos DG, Westmoreland PR. Catalytic ignition of methane/oxygen mixtures over platinum surfaces: comparison of detailed simulations and experiments Surface Science. 385. DOI: 10.1016/S0039-6028(97)00438-X  0.334
1996 Zachariah MR, Westmoreland PR, Burgess DR, Tsang W, Melius CF. BAC-MP4 Predictions of Thermochemical Data for C1and C2Stable and Radical Hydrofluorocarbons and Oxidized Hydrofluorocarbons The Journal of Physical Chemistry. 100: 8737-8747. DOI: 10.1021/Jp952467F  0.377
1995 Zachariah MR, Tsang W, Westmoreland PR, Burgess DRF. Theoretical Prediction of the Thermochemistry and Kinetics of Reactions of CF2O with Hydrogen Atom and Water The Journal of Physical Chemistry. 99: 12512-12519. DOI: 10.1021/J100033A023  0.314
1995 Burgess D, Zachariah M, Tsang W, Westmoreland P. Thermochemical and chemical kinetic data for fluorinated hydrocarbons Progress in Energy and Combustion Science. 21: 453-529. DOI: 10.1016/0360-1285(95)00009-7  0.424
1992 WESTMORELAND PR. Thermochemistry and Kinetics of C2H3+ 02Reactions Combustion Science and Technology. 82: 151-168. DOI: 10.1080/00102209208951817  0.391
1989 Westmoreland PR, Dean AM, Howard JB, Longwell JP. Forming benzene in flames by chemically activated isomerization The Journal of Physical Chemistry. 93: 8171-8180. DOI: 10.1021/J100362A008  0.733
1988 Garo A, Westmoreland PR, Howard JB, Longwell JP. Analysis of fuel-lean combustion using chemical mechanisms Combustion and Flame. 72: 271-286. DOI: 10.1016/0010-2180(88)90127-7  0.736
1987 Dean AM, Westmoreland PR. Bimolecular QRRK analysis of methyl radical reactions International Journal of Chemical Kinetics. 19: 207-228. DOI: 10.1002/Kin.550190305  0.395
1986 Westmoreland PR, Howard JB, Longwell JP, Dean AM. Prediction of rate constants for combustion and pyrolysis reactions by bimolecular QRRK Aiche Journal. 32: 1971-1979. DOI: 10.1002/Aic.690321206  0.723
1979 Forrester RC, Westmoreland PR. Two-dimensional pyrolysis effects during in-situ coal gasification: preliminary results Journal of Petroleum Technology. 31: 571-573. DOI: 10.2118/6150-Pa  0.306
1977 Westmoreland PR, Gibson JB, Harrison DP. Comparative kinetics of high-temperature reaction between hydrogen sulfide and selected metal oxides Environmental Science & Technology. 11: 488-491. DOI: 10.1021/Es60128A007  0.749
1976 Westmoreland PR, Harrison DP. Evaluation of candidate solids for high-temperature desulfurization of low-Btu gases Environmental Science & Technology. 10: 659-661. DOI: 10.1021/Es60118A010  0.736
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