2024 journal article
High-throughput design of complex oxides as isothermal, redox-activated CO2 sorbents for green hydrogen generation
Energy & Environmental Science.
2024 article
Thermochemistry of Gas-Phase Thermal Oxidation of C<sub>2</sub> to C<sub>8</sub> Perfluorinated Sulfonic Acids with Extrapolation to C<sub>16</sub>
Ram, H., DePompa, C. M., & Westmoreland, P. R. (2024, April 16). JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 4.
2024 article
Thermochemistry of Species in Gas-Phase Thermal Oxidation of C<sub>2</sub> to C<sub>8</sub> Perfluorinated Carboxylic Acids
Ram, H., Sadej, T. P., Murphy, C. C., Mallo, T. J., & Westmoreland, P. R. (2024, February 9). JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 2.
2022 article
A Bond-Energy/Bond-Order and Populations Relationship
Zulueta, B., Tulyani, S. V., Westmoreland, P. R., Frisch, M. J., Petersson, E. J., Petersson, G. A., & Keith, J. A. (2022, July 18). JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Vol. 7.
2022 journal article
CaMn0.9Ti0.1O3 based redox catalysts for chemical looping – Oxidative dehydrogenation of ethane: Effects of Na2MoO4 promoter and degree of reduction on the reaction kinetics
Catalysis Today, 417.
2022 journal article
Oxygen Nonstoichiometry and Defect Models of Brownmillerite-Structured Ca<sub>2</sub>MnAlO<sub>5+δ</sub> for Chemical Looping Air Separation
ACS Sustainable Chemistry & Engineering, 10(31), 10393–10402.
2021 journal article
DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
JOURNAL OF PHYSICAL CHEMISTRY A, 125(23), 4943–4956.
2021 article
Foundations in Process Analytics and Machine Learning (FOPAM)
Braatz, R. D., Badgwell, T. A., & Westmoreland, P. R. (2021, March). COMPUTERS & CHEMICAL ENGINEERING, Vol. 146.
2021 journal article
Molecular Carbonyl Insertion as the Homogeneous Catalysis Mechanism for Transesterification of Dimethyl Terephthalate with Ethylene Glycol
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 60(14), 5090–5101.
2020 journal article
Effect of Sodium Tungstate Promoter on the Reduction Kinetics of CaMn0.9Fe0.1O3 for Chemical Looping - Oxidative Dehydrogenation of Ethane
CHEMICAL ENGINEERING JOURNAL, 398.
2020 journal article
Estimating flammability limits through predicting non-adiabatic laminar flame properties Vernon J. Mascarenhas, Christopher N. Weber, Phillip R. Westmoreland *
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 38(3), 4673–4681.
2020 article
Multiscale numerical simulation of biomass thermochemical conversion: From micro to macro scales
Xiong, Q., Hong, K., Shu, S., Westmoreland, P., & Xiao, R. (2020, March). FUEL PROCESSING TECHNOLOGY, Vol. 199.
2020 journal article
Predicting Total Electron-Ionization Cross Sections and GC-MS Calibration Factors Using Machine Learning
JOURNAL OF PHYSICAL CHEMISTRY A, 124(50), 10600–10615.
2019 review
Pyrolysis kinetics for lignocellulosic biomass-to-oil from molecular modeling
[Review of ]. CURRENT OPINION IN CHEMICAL ENGINEERING, 23, 123–129.
2018 journal article
A model of tetrahydrofuran low-temperature oxidation based on theoretically calculated rate constants
Combustion and Flame, 191, 252–269.
2018 journal article
Dynamic Chemical Model for H2/O2 Combustion Developed through a Community Workflow
https://arxiv.org/abs/1801.10093
2018 journal article
Monosaccharide Isomer Interconversions Become Significant at High Temperatures
The Journal of Physical Chemistry A, 123(1), 120–131.
2018 journal article
Reaction of phenol with singlet oxygen
Physical Chemistry Chemical Physics, 21(1), 171–183.
2018 journal article
Revisiting the Future of Chemical Engineering
Chemical Engineering Progress, 114(10), 26–37.
2018 journal article
The ChE in Context: Your Voice and Role in Public Outreach
Chemical Engineering Progress, 114(4), 63.
2018 journal article
Your voice and rote in public outreach
Chemical Engineering Progress , 114(4), 63–63.
2017 weblog post
AIChE and the Paris Climate Agreement
Ternes, M. E., & Westmoreland, P. R. (2017, June 2). https://www.aiche.org/chenected/2017/06/aiche-and-paris-climate-agreement
2017 journal article
Combustion and flammability chemistry for the refrigerant HFO-1234yf (2,3,3,3-tetrafluroropropene)
Combustion and Flame, 184, 176–185.
2017 journal article
Enhanced ignition of biomass in presence of NOx
Fire Safety Journal, 91, 235–242.
2017 journal article
Hydrogen Abstraction from Hydrocarbons by NH2
The Journal of Physical Chemistry A, 121(11), 2221–2231.
2017 journal article
Reaction of Aniline with Singlet Oxygen (O2 1Δg)
The Journal of Physical Chemistry A, 121(17), 3199–3206.
2017 journal article
The ChE in Context: Members Will Shape AIChE’s Climate Change Policy
Chemical Engineering Progress, 113(7), 16.
2017 journal article
The ChE in Context: PAIC, The ChE’s Voice in and about Government
Chemical Engineering Progress, 113(7), 26.
2017 weblog post
The Importance of International Exchanges to Chemical Engineering
Westmoreland, P. R. (2017, February 13). https://www.aiche.org/chenected/2017/02/importance-international-exchanges-chemical-engineering
2016 conference paper
Dehydration and dehydrogenation kinetics of OH groups in biomass pyrolysis
2nd international conference on biomass (iconbm 2016), 50, 73–78.
2016 journal article
Dehydration and dehydrogenation kinetics of oh groups in biomass pyrolysis
Chemical Engineering Transactions, 50, 73–78.
2016 journal article
Measuring hydroperoxide chain-branching agents during n -pentane low-temperature oxidation
Proceedings of the Combustion Institute, 36(1), 333–342.
2015 journal article
Integrated data-model analysis facilitated by an Instrumental Model
Proceedings of the Combustion Institute, 35(1), 597–605.
2015 journal article
Roles of hydroxyls in the noncatalytic and catalyzed formation of levoglucosan from glucose
CATALYSIS TODAY, 269, 110–121.
2014 journal article
Opportunities and challenges for a Golden Age of chemical engineering
Frontiers of Chemical Science and Engineering, 8(1), 1–7.
2013 journal article
Flame chemistry of tetrahydropyran as a model heteroatomic biofuel
Proceedings of the Combustion Institute, 34(1), 259–267.
2013 article
Implications: Societal Collective Outcomes, Including Manufacturing
CONVERGENCE OF KNOWLEDGE, TECHNOLOGY AND SOCIETY: BEYOND CONVERGENCE OF NANO-BIO-INFO-COGNITIVE TECHNOLOGIES, pp. 255–285.
2013 weblog post
Second Phase of Education: Lane Daley at Eastman Chemical in Kingsport
Westmoreland, P. R. (2013, December 4). https://www.aiche.org/chenected/2013/12/second-phase-education-lane-daley-eastman-chemical-kingsport
2013 weblog post
Second Phase of Education: Mariam Al-Meer at Shell in Qatar
Westmoreland, P. R. (2013, November 21). https://www.aiche.org/chenected/2013/11/second-phase-education-mariam-al-meer-shell-qatar
2013 journal article
Shock tube measurements and model development for morpholine pyrolysis and oxidation at high pressures
Combustion and Flame, 160(9), 1559–1571.
2013 weblog post
The Second Phase of ChE Education
Westmoreland, P. R. (2013, October 23). https://www.aiche.org/chenected/2013/10/second-phase-che-education
2012 weblog post
Biology and ChE: Applying a Molecular Science (Part I)
Westmoreland, P. R. (2012, October 24). https://www.aiche.org/chenected/2012/10/biology-and-che-applying-molecular-science-part-i
2012 weblog post
Biology and ChE: Applying a Molecular Science (Part II)
Westmoreland, P. R. (2012, November 7). https://www.aiche.org/chenected/2012/11/biology-and-che-applying-molecular-science-part-ii
2012 weblog post
ChE Computing Becomes Cyberinfrastructure
Westmoreland, P. R. (2012, November 14). https://www.aiche.org/chenected/2012/11/che-computing-becomes-cyberinfrastructure
2012 weblog post
ChE-style Manufacturing Moves into the Spotlight
Westmoreland, P. R. (2012, September 26). https://www.aiche.org/chenected/2012/09/che-style-manufacturing-moves-spotlight
2012 journal article
Concerted Reactions and Mechanism of Glucose Pyrolysis and Implications for Cellulose Kinetics
The Journal of Physical Chemistry A, 116(49), 11997–12013.
2012 weblog post
Embracing the Breadth and the Unity of ChE
Westmoreland, P. R. (2012, December 14). https://www.aiche.org/chenected/2012/12/embracing-breadth-and-unity-che
2012 weblog post
Entering a New Golden Age of Chemical Engineering
Westmoreland, P. R. (2012, September 19). https://www.aiche.org/chenected/2012/09/entering-new-golden-age-chemical-engineering
2012 journal article
Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels
COMBUSTION EXPLOSION AND SHOCK WAVES, 48(5), 508–515.
2012 weblog post
From Big Data to Smart Manufacturing
Westmoreland, P. R. (2012, December 5). https://www.aiche.org/chenected/2012/12/big-data-smart-manufacturing
2012 weblog post
Massively Parallel Computing and Massive Impacts for ChE
Westmoreland, P. R. (2012, November 29). https://www.aiche.org/chenected/2012/11/massively-parallel-computing-and-massive-impacts-che
2012 weblog post
More ChE Manufacturing: Rebuilding the Body
Westmoreland, P. R. (2012, October 3). https://www.aiche.org/chenected/2012/10/more-che-manufacturing-rebuilding-body
2012 weblog post
Seizing the Future of Chemical Engineering
Westmoreland, P. R. (2012, December 20). https://www.aiche.org/chenected/2012/12/seizing-future-che
2012 weblog post
Shale Gas in the Middle of the Worldwide Energy Drama
Westmoreland, P. R. (2012, October 10). https://www.aiche.org/chenected/2012/10/shale-gas-middle-worldwide-energy-drama
2012 weblog post
The New Energy Mix: Abundance and Sustainability?”
Westmoreland, P. R. (2012, October 17). https://www.aiche.org/chenected/2012/10/new-energy-mix-abundance-and-sustainability
2011 journal article
Assessing the effect of molecular weight on the kinetics of backbone scission reactions in polyethylene using Reactive Molecular Dynamics
Polymer, 52(14), 3104–3111.
2011 journal article
Combustion chemistry and fuel-nitrogen conversion in a laminar premixed flame of morpholine as a model biofuel
Combustion and Flame, 158(9), 1647–1666.
2011 journal article
Identification of Tetrahydrofuran Reaction Pathways in Premixed Flames
Zeitschrift Für Physikalische Chemie, 225(11-12), 1237–1270.
2011 journal article
Kinetic modeling study of ethanol and dimethyl ether addition to premixed low-pressure propene–oxygen–argon flames
Combustion and Flame, 158(7), 1264–1276.
2011 journal article
Multiple benzene-formation paths in a fuel-rich cyclohexane flame
Combustion and Flame, 158(11), 2077–2089.
2010 journal article
Biofuel Combustion Chemistry: From Ethanol to Biodiesel
Angewandte Chemie International Edition, 49(21), 3572–3597.
2010 review
Biofuel combustion chemistry: From ethanol to biodiesel
[Review of ]. Angewandte Chemie [International Edition in English], 49(21), 3572–3597.
2010 journal article
Cover Picture: Biofuel Combustion Chemistry: From Ethanol to Biodiesel (Angew. Chem. Int. Ed. 21/2010)
Angewandte Chemie International Edition, 49(21), 3545–3545.
2010 journal article
Fuel-structure dependence of benzene formation processes in premixed flames fueled by C6H12 isomers
Proceedings of the Combustion Institute, 33(1), 585–592.
2010 chapter
Novel Organo-Siloxane Copolymers for Flame Retardant Applications
In S. J. Clarson (Ed.), ACS Symposium Series (Vol. 1051, pp. 157–165).
Ed(s): S. Clarson
2010 journal article
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, 12(38), 12112.
2009 journal article
Combustion chemistry of the propanol isomers — investigated by electron ionization and VUV-photoionization molecular-beam mass spectrometry
Combustion and Flame, 156(6), 1181–1201.
2009 journal article
Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies
Physical Chemistry Chemical Physics, 11(9), 1328.
2009 journal article
Isomer-specific combustion chemistry in allene and propyne flames
Combustion and Flame, 156(11), 2153–2164.
2009 journal article
Kinetics and Mechanism of Cellulose Pyrolysis
The Journal of Physical Chemistry C, 113(46), 20097–20107.
2009 journal article
Kinetics of enol formation from reaction of OH with propene
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 113(13), 3177–3185.
2009 journal article
Professor Jack Benny Howard (1937–2008), Massachusetts Institute of Technology
Combustion and Flame, 156(3), 547–548.
2009 journal article
Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry
Progress in Energy and Combustion Science, 35(2), 168–191.
2009 conference paper
The prehistory of soot: Small rings from small molecules
In H. Bockhorn (Ed.), Combustion Generated Fine Carbonaceous Particles: Proceedings of an International Workshop (pp. 30–47). KIT Scientific Publishing.
Ed(s): H. Bockhorn
Event: at Villa Orlandi, Anacapri on May 13-16, 2007
2008 journal article
A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames
Phys. Chem. Chem. Phys., 10(3), 366–374.
2008 journal article
A detailed chemical kinetic reaction mechanism for oxidation of four small alkyl esters in laminar premixed flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 32(Pt.1), 221–228.
2008 journal article
Benzene formation in premixed fuel-rich 1,3-butadiene flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 32(Pt.1), 623–630.
2008 journal article
Chemical engineering in the next 25 years
Chemical Engineering Progress , 104(11), 30–41.
2008 journal article
Design and lipase catalyzed synthesis of 4-methylcoumarin-siloxane hybrid copolymers
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry, 45(11), 926–931.
2008 journal article
Isomer-Specific Influences on the Composition of Reaction Intermediates in Dimethyl Ether/Propene and Ethanol/Propene Flame†
The Journal of Physical Chemistry A, 112(39), 9255–9265.
2008 journal article
Nanocomposites of TiO2 and siloxane copolymers as environmentally safe flame-retardant materials
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry, 45(11), 943–947.
2008 journal article
Nanocomposites of TiO2and Siloxane Copolymers as Environmentally Safe Flame-Retardant Materials†
Journal of Macromolecular Science, Part A, 45(11), 942–946.
2008 journal article
Species identification in a laminar premixed low-pressure flame of morpholine as a model substance for oxygenated nitrogen-containing fuels
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 32(Pt.1), 1269–1276.
2008 journal article
Thermal degradation of deoxybenzoin polymers studied by pyrolysis-gas chromatography/mass spectrometry
POLYMER DEGRADATION AND STABILITY, 93(6), 1059–1066.
2007 review
"Imaging" combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry
[Review of ]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 10(1), 20–34.
2007 journal article
Initial Steps of Aromatic Ring Formation in a Laminar Premixed Fuel-Rich Cyclopentene Flame†
The Journal of Physical Chemistry A, 111(19), 4081–4092.
2007 journal article
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(19), 4093–4101.
2007 article
RMDff: A smoothly transitioning, forcefield-based representation of kinetics for reactive molecular dynamics simulations
Smith, K. D., Stoliarov, S. I., Nyden, M. R., & Westmoreland, P. R. (2007, April 15). MOLECULAR SIMULATION, Vol. 33, pp. 361–368.
2006 journal article
Analysis of flame structure by molecular-beam mass spectrometry using electron-impact and synchrotron-photon ionization
Combustion, Explosion, and Shock Waves, 42(6), 672–677.
2006 journal article
Benzene precursors and formation routes in a stoichiometric cyclohexane flame
Proceedings of the Combustion Institute, 31(1), 565–573.
2006 journal article
Identification and Chemistry of C4H3and C4H5Isomers in Fuel-Rich Flames
The Journal of Physical Chemistry A, 110(10), 3670–3678.
2006 journal article
Identification of C5HxIsomers in Fuel-Rich Flames by Photoionization Mass Spectrometry and Electronic Structure Calculations
The Journal of Physical Chemistry A, 110(13), 4376–4388.
2006 journal article
Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames
Proceedings of the Combustion Institute, 31(1), 1157–1164.
2006 journal article
Photoionization mass spectrometry and modeling studies of the chemistry of fuel-rich dimethyl ether flames
Proceedings of the Combustion Institute, 31(1), 285–293.
2006 journal article
The influence of ethanol addition on premixed fuel-rich propene–oxygen–argon flames
Proceedings of the Combustion Institute, 31(1), 1119–1127.
2005 journal article
1,5-Hexadiyne and fulvene presence in premixed allene and propyne flames
Chemical and Physical Processes in Combustion, 4–7.
2005 article
Allene addition to a fuel-lean ethylene flat flame
PROCEEDINGS OF THE COMBUSTION INSTITUTE, Vol. 30, pp. 1353–1361.
2005 journal article
Combustion Chemistry of Enols: Possible Ethenol Precursors in Flames†
The Journal of Physical Chemistry A, 110(9), 3254–3260.
2005 journal article
Enols Are Common Intermediates in Hydrocarbon Oxidation
Science, 308(5730), 1887–1889.
2005 review
IUPAC critical evaluation of thermochemical properties of selected radicals. Part I
[Review of ]. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 34(2), 573–656.
2005 journal article
Identification of species and separation of isomers in a premixed fuel-rich cyclohexane flame
Chemical and Physical Processes in Combustion, 221–224.
2005 journal article
Insights into a premixed stoichiometric cyclohexane flame
Chemical and Physical Processes in Combustion, 69–99.
2005 journal article
Molecular modeling of the thermal decomposition of polymers
ACS Symposium Series, 922(Fire and Polymer IV), 306–319.
2005 journal article
Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source
REVIEW OF SCIENTIFIC INSTRUMENTS, 76(9).
2005 journal article
Recent advances in flame-sampling molecular-beam mass spectrometry
Chemical and Physical Processes in Combustion, 205–212.
2005 article
Studies of a fuel-rich propane flame with photoionization mass spectrometry
PROCEEDINGS OF THE COMBUSTION INSTITUTE, Vol. 30, pp. 1681–1688.
2005 journal article
Synchrotron photoionization measurements of combustion intermediates: Photoionization efficiency and identification of C3H2 isomers
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 7(5), 806–813.
2004 journal article
Biocatalytic synthesis of highly flame retardant inorganic-organic hybrid polymers
ADVANCED MATERIALS, 16(17), 1515-+.
2003 journal article
A reactive molecular dynamics model of thermal decomposition in polymers: 1. Poly(methyl methacrylate)
POLYMER, 44(3), 883–894.
2003 article
Applications of reactive molecular dynamics to the study of the thermal decomposition of polymers and nanoscale structures
Nyden, M. R., Stoliarov, S. I., Westmoreland, P. R., Guo, Z. X., & Jee, C. (2004, January 25). MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 365, pp. 114–121.
2003 journal article
Developing fire-safe polymers using milligram-scale test methods
Chemical and Physical Processes in Combustion, 53–56.
2003 journal article
In Honor of James M. Douglas
Industrial & Engineering Chemistry Research, 41(16), 3731–3734.
2003 journal article
Low flammability and thermal decomposition behavior of poly(3,3 '-dihydroxybiphenylisophthalamide) and its derivatives
MACROMOLECULES, 36(11), 3944–3954.
2003 journal article
Mechanism of the thermal decomposition of bisphenol C polycarbonate: nature of its fire resistance
POLYMER, 44(18), 5469–5475.
2003 journal article
New fire-safe polysiloxane polymers
Chemical and Physical Processes in Combustion, (49), 52.
2003 journal article
Selective detection of C3H4 and C6H6 isomers in flames
Chemical and Physical Processes in Combustion, 285–288.
2003 journal article
Selective detection of isomers using a new photoionization MBMS apparatus
Chemical and Physical Processes in Combustion, 281–284.
2003 journal article
Selective detection of isomers with photoionization mass spectrometry for studies of hydrocarbon flame chemistry
JOURNAL OF CHEMICAL PHYSICS, 119(16), 8356–8365.
2002 book
Applying Molecular and Materials Modeling: An International Comparative Study
http://www.wtec.org/loyola/molmodel/mm_final.pdf
2002 journal article
Modeling ethylene combustion from low to high pressure
Proceedings of the Combustion Institute, 29(1), 1257–1266.
2002 journal article
Synthesis of UV-sensitive and fire-resistant polyarylates
Polymer, 43(20), 5463–5472.
2002 journal article
Thermal decomposition and flammability of fire-resistant, UV/visible-sensitive polyarylates, copolymers and blends
POLYMER, 43(20), 5463–5472.
2001 book
Applying Molecular Simulation and Computational Chemistry : an AIChE Topical Conference : Reno, Nevada, November 4-9, 2001
New York: American Institute of Chemical Engineers.
Event: Applying Molecular Simulation and Computational Chemistry : AIChE Topical Conference at Reno, Nevada on November 4-9, 2001
2001 journal article
Chemistry and life sciences in a new vision of chemical engineering
Chemical Engineering Education, 35(4), 248–255.
2001 journal article
Flammability kinetics from TGA/DSC/GCMS, microcalorimetry and computational quantum chemistry
Thermochimica Acta, 367-368, 401–405.
2001 book
Foundations of molecular modeling and simulation : proceedings of the First International Conference on Molecular Modeling and Simulation, Keystone, Colorado, July 23-28, 2000
New York: American Institute of Chemical Engineers.
Event: First International Conference on Foundations of Molecular Modeling and Simulation at Keystone, Colorado on July 23-28, 2000
2001 journal article
New insights into fuel-lean ethylene flames
Chemical and Physical Processes in Combustion, 194–197.
2001 conference paper
Pericyclic chemistry in polymer thermal decomposition
In P. T. Cummings, P. R. Westmoreland, & B. Carnahan (Eds.), Foundations of molecular modeling and simulation : proceedings of the First International Conference on Molecular Modeling and Simulation, Keystone, Colorado, July 23-28, 2000 (pp. 127–130). New York: American Institute of Chemical Engineers.
Event: First International Conference on Molecular Modeling and Simulation at Keystone, Colorado on July 23-28, 2000
2000 magazine article
Does soot burn?
Westmoreland, P. R. (2000, October). Muse, 6.
1999 conference paper
Experimental Gas-Phase Kinetics for Parallel-Plate PECVD
In M. D. Allendorf, M. R. Zachariah, T. J. Mountziaris, & A. H. McDaniel (Eds.), Proceedings of the Fundamental Gas-Phase and Surface Chemistry of Vapor-Phase Materials Synthesis (Vol. 98-23, pp. 167–178). Pennington, NJ: The Electrochemical Society.
Ed(s): M. Allendorf, M. Zachariah, T. Mountziaris & A. McDaniel
1999 journal article
On the local stability of multiple solutions and oscillatory dynamics of spatially distributed flames
Combustion and Flame, 117(1-2), 307–322.
1998 book
Applying Molecular Modeling and Computational Chemistry
In AIChE. New York, NY: American Institute of Chemical Engineers.
1998 journal article
Inhibition of premixed methane-air flames by fluoroethanes and fluoropropanes
COMBUSTION AND FLAME, 113(1-2), 164–180.
1998 journal article
MBMS Analysis of a Fuel-Lean Ethylene Flame
Combustion and Flame, 115(4), 456–467.
1998 journal article
Measured flame structure and kinetics in a fuel-rich ethylene flame
COMBUSTION AND FLAME, 113(3), 333–347.
1997 journal article
C2H4 + H and C2H4 + OH chemistry measured in laminar, premixed flat flames
Chemical and Physical Processes in Combustion, 201–204.
1997 journal article
Catalytic ignition of methane/oxygen mixtures over platinum surfaces: comparison of detailed simulations and experiments
SURFACE SCIENCE, 385(2-3), L1029–L1034.
1997 journal article
Hierarchical reduced models for catalytic combustion: H-2/air mixtures near platinum surfaces
COMBUSTION SCIENCE AND TECHNOLOGY, 129(1-6), 243–275.
1997 chapter
Key Acetaldehyde and C2H3O Kinetics by Ab Initio Calculations
In J. Warnatz & F. Behrendt (Eds.), Modelling of Chemical Reaction Systems (pp. 35–31 to 35–38). Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Ruprecht-Karls-Universität Heidelberg.
Ed(s): J. Warnatz & F. Behrendt
1997 chapter
Key Species and Important Reactions in Fluorinated Hydrocarbon Flame Chemistry
In ACS Symposium Series (pp. 322–340).
1997 journal article
Modeling ignition of catalytic reactors with detailed surface kinetics and transport: Oxidation of H-2/air mixtures over platinum surfaces
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 36(7), 2558–2567.
1997 journal article
Self-sustained oscillations in distributed flames modeled with detailed chemistry
Chemical and Physical Processes in Combustion, 337–340.
1997 chapter
Theoretical Prediction of Thermochemical and Kinetic Properties of Fluorocarbons
In ACS Symposium Series (pp. 358–373).
1996 journal article
BAC-MP4 predictions of thermochemical data for C-1 and C-2 stable and radical hydrofluorocarbons and oxidized hydrofluorocarbons
JOURNAL OF PHYSICAL CHEMISTRY, 100(21), 8737–8747.
1996 journal article
Homogeneous ignition of hydrogen-air mixtures over platinum
Symposium (International) on Combustion, 26(1), 1763–1770.
1996 journal article
Initial measurements from reacting flows of hydrocarbons with chlorine
Chemical and Physical Processes in Combustion, 345–348.
1996 journal article
MBMS analysis of a fuel-lean ethylene flame
Chemical and Physical Processes in Combustion, 421–424.
1996 journal article
Propene Oxidation Chemistry in Laminar Premixed Flames
Bulletin Des Sociétés Chimiques Belges, 105(9), 501–512.
1995 journal article
C1 Fluoro- and hydrofluorocarbon effects on the extinction characteristics of methane vs. air counterflow diffusion flames
Chemical and Physical Processes in Combustion, 447–450.
1995 journal article
Computational Chemistry and Its Industrial Applications
I&EC Research, 12, 4149.
1995 journal article
Inhibition of homogeneous ignition by a catalytic surface
Chemical and Physical Processes in Combustion, 14–150.
1995 article
SYMPOSIUM ON COMPUTATIONAL CHEMISTRY AND ITS INDUSTRIAL APPLICATIONS
WESTMORELAND, P. R., & COX, K. R. (1995, December). INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol. 34, pp. 4149–4149.
1995 journal article
THEORETICAL PREDICTION OF THE THERMOCHEMISTRY AND KINETICS OF REACTIONS OF CF2O WITH HYDROGEN-ATOM AND WATER
JOURNAL OF PHYSICAL CHEMISTRY, 99(33), 12512–12519.
1995 review
Thermochemical and chemical kinetic data for fluorinated hydrocarbons
[Review of ]. PROGRESS IN ENERGY AND COMBUSTION SCIENCE, 21(6), 453–529.
1995 report
Thermochemical and chemical kinetic data for fluorinated hydrocarbons
(Technical Note No. 1412).
1995 journal article
Time-dependent solutions of the master equation for chemically activated reactions.
Chemical and Physical Processes in Combustion, 107–110.
1994 journal article
Book Review of "Gas cleaning for advanced coal-based power generation"
[Review of , by K. V. Thambimuthu]. Energy and Fuels, 8, 1528.
1994 chapter
Concentrations in PECVD of Diamondlike Carbon Using Molecular-Beam Mass Spectrometry
In T. J. Mountziaris, P. R. Westmoreland, G. Paz-Pujalt, & F. T. J. Smith (Eds.), Gas-Phase and Surface Chemistry in Electronic Materials Processing (Vol. 334, pp. 129–134). Pittsburgh: Materials Research Society.
1994 chapter
Flame Inhibition Chemistry and the Search for Additional Fire Fighting Chemicals
In W. L. Grosshandler, R. G. Gann, & W. M. Pitts (Eds.), Evaluation of Alternative In-Flight Fire Suppressants for Full-Scale Testing in Simulated Aircraft Engine Nacelles and Dry Bays (pp. 467–641). Gaithersburg, MD: National Institute of Standards and Technology.
Ed(s): W. Grosshandler, R. Gann & W. Pitts
1994 journal article
Fluoromethane chemistry and its role in flame suppression
Symposium (International) on Combustion, 25(1), 1505–1511.
1994 book
Gas-Phase and Surface Chemistry in Electronic Materials Processing
Pittsburgh: Materials Research Society.
1994 report
Industrial Applications of Computational Chemistry
(Workshop Report No. NISTIR-5450). Gaithersburg MD: National Institute of Standards and Technology.
1994 journal article
On the kinetics of vinyl + O2
Chemical and Physical Processes in Combustion, 425–428.
1994 journal article
Reduced Kinetic Mechanisms for applications in combustion systems by N. Peters and B. Rogg
AIChE Journal, 40(11), 1926–1927.
1993 journal article
Elements of Chemical Reaction Engineering
Chemical Engineering Education, 27, 161, 166–167.
1992 journal article
Chemical mechanisms of NOx formation for gas turbine conditions
Symposium (International) on Combustion, 24(1), 879–887.
1992 article
THERMOCHEMISTRY AND KINETICS OF C2H3+O2 REACTIONS
COMBUSTION SCIENCE AND TECHNOLOGY, Vol. 82, pp. 151–168.
1990 journal article
Predicted kinetics for silylene + oxygen: association with multiple isomerization
Chemical and Physical Processes in Combustion, 98/1–98/4.
1989 journal article
FORMING BENZENE IN FLAMES BY CHEMICALLY ACTIVATED ISOMERIZATION
JOURNAL OF PHYSICAL CHEMISTRY, 93(25), 8171–8180.
1989 journal article
On the kinetics and thermodynamics of C4H5 isomers
Chemical and Physical Processes in Combustion, 15/1–15/4.
1989 journal article
Testing predictions of C2-4 species in a fuel-rich acetylene flame
Chemical and Physical Processes in Combustion, 13/1–13/4.
1988 journal article
ANALYSIS OF FUEL-LEAN COMBUSTION USING CHEMICAL MECHANISMS
COMBUSTION AND FLAME, 72(3), 271–286.
1988 journal article
Tests of Published Mechanisms by Comparison with Measured Laminar Flame Structure in Fuel-Lean Acetylene Combustion
Combustion and Flame, 72, 271–286.
1988 journal article
Tests of published mechanisms by comparison with measured laminar flame structure in fuel-rich acetylene combustion
Symposium (International) on Combustion, 21(1), 773–782.
1988 journal article
The importance of obvious and disguised association reactions in combustion
Chemical and Physical Processes in Combustion, 17/1–17/4.
1987 journal article
Bimolecular QRRK analysis of methyl radical reactions
International Journal of Chemical Kinetics, 19(3), 207–228.
1986 journal article
Prediction of rate constants for combustion and pyrolysis reactions by bimolecular QRRK
AIChE Journal, 32(12), 1971–1979.
1981 chapter
Formation of Polycyclic Aromatic Hydrocarbons in Premixed Flames. Chemical Analysis and Mutagenicity
In M. Cooke & A. J. Dennis (Eds.), Analytical Chemistry and Biological Fate. Columbus (Ohio): Battelle Memorial Institute.
Ed(s): M. Cooke & A. Dennis
1981 report
Hydrocarbonization Research: Completion Report
(Technical Report No. ORNL/TM-6693).
1981 report
Pyrolysis and Physical Properties of Coal Blocks
(No. ORNL/TM-7313). Oak Ridge (TN) National Laboratory.
1980 journal article
Hydrocarbonization of Coal in a Fluidized Bed
Industrial & Engineering Chemistry Product Research and Development, 19(1), 29–34.
1980 journal article
Pyrolysis of Blocks of Lignite
In Situ, 4(4), 325–343.
1979 journal article
Two-Dimensional Pyrolysis Effects During In-Situ Coal Gasification: Preliminary Results
Journal of Petroleum Technology, 31(05), 571–573.
1978 chapter
In Situ Gasification: Recovery of Otherwise Inaccessible Coal Reserves
In E. Michaelides, Alternative Energy Sources (Vol. 7, p. 3113). Washington: Hemisphere Publishing Corporation.
1978 chapter
Removing Micron-Sized Particles from Coal Liquids
In Coal Processing Technology (Vol. 3, pp. 28–36). New York: AIChE.
1977 journal article
Comparative kinetics of high-temperature reaction between hydrogen sulfide and selected metal oxides
Environmental Science & Technology, 11(5), 488–491.
1977 report
Supporting Research and Development on Separations Technology
(Technical Report No. ORNL/TM-5843).
1976 journal article
Evaluation of candidate solids for high-temperature desulfurization of low-Btu gases
Environmental Science & Technology, 10(7), 659–661.
Updated: May 18th, 2019 08:43
2009 - present
2006 - 2009
1986 - 2009
1974 - 1979
Updated: May 18th, 2019 08:33
1979 - 1986
1973 - 1974
1969 - 1973
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