MIT Center for Airborne Organics

EPA Grant Number: R824970
Center: EERC - Center for Airborne Organics (MIT)
Center Director: Seinfeld, John
Title: MIT Center for Airborne Organics
Investigators: Howard, Jack B. , Molina, Mario J. , Pfeffer, Robert , Seinfeld, John
Institution: Massachusetts Institute of Technology , California Institute of Technology , New Jersey Institute of Technology
Current Institution: Massachusetts Institute of Technology
EPA Project Officer: Hahn, Intaek
Project Period: October 1, 1992 through September 30, 2002
Project Amount: $5,745,000
RFA: Center on Airborne Organics (1993) Recipients Lists
Research Category: Air Quality and Air Toxics , Targeted Research

Objective:

Abstract Currently Not Available


Journal Articles: 89 Displayed | Download in RIS Format

Other center views: All 125 publications 92 publications in selected types All 89 journal articles
Type Citation Sub Project Document Sources
Journal Article Allen JO, Fergenson DP, Gard EE, Hughes LS, Morrical BD, Kleeman MJ, Gross DS, Galli ME, Prather KA, Cass GR. Particle detection efficiencies of aerosol time of flight mass spectrometers under ambient sampling conditions. Environmental Science & Technology 2000;34(1):211-217. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Andino JM, Smith JN, Flagan RC, Goddard WA, Seinfeld JH. Mechanism of atmospheric photooxidation of aromatics: a theoretical study. Journal of Physical Chemistry 1996; 100(26):10967-10980. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Bhattacharjee B, Schwer DA, Barton PI, Green Jr. WH. Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms. Combustion and Flame 2003;135(3):191-208. R824970 (Final)
  • Full-text: ScienceDirect-Full Text HTML
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Other: ScienceDirect-Full Text PDF
    Exit
  • Journal Article Bowman FM, Odum JR, Seinfeld JH, Pandis SN. Mathematical model for gas-particle partitioning of secondary organic aerosols. Atmospheric Environment 1997;31(23):3921-3931. R824970 (Final)
    R823514 (Final)
  • Full-text: ScienceDirect-Full Text PDF
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Bozzelli JW, Dean AM. Hydrocarbon radical reactions with oxygen: comparison of allyl, formyl, and vinyl to ethyl. Journal of Physical Chemistry 1993; 97(17):4427-4441. R824970 (Final)
  • Full-text: ACS-Full Text PDF
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Journal Article Bozzelli JW, Sheng C. Thermochemistry, reaction paths, and kinetics on the hydroperoxy-ethyl radical reaction with O2: new chain branching reactions in hydrocarbon oxidation. Journal of Physical Chemistry A 2002;106(7):1113-1121. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Bozzelli JW, Chang AY, Dean AM. Molecular density of states from estimated vapor phase heat capacities. International Journal of Chemical Kinetics 1997; 29(3):161-170. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Chen C-J, Bozzelli JW. Kinetic analysis for HO2 addition to ethylene, propene, and isobutene, and thermochemical parameters of alkyl hydroperoxides and hydroperoxide alkyl radicals. Journal of Physical Chemistry A 2000; 104(21):4997-5012. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Chen C-J, Wong D, Bozzelli JW. Standard chemical thermodynamic properties of multichloro alkanes and alkenes:a modified group additivity scheme. Journal of Physical Chemistry 1998; 102(24):4551-4558. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Chen C-J, Bozzelli JW. Analysis of tertiary butyl radical + O2, isobutene + HO2, isobutene + OH, and isobutene-OH adducts + O2: a detailed tertiary butyl oxidation mechanism. Journal of Physical Chemistry A 1999; 103(48):9731-9769. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Chen C-J Bozzelli JW. Thermochemical property, pathway and kinetic analysis on the reactions of allylic isobutenyl radical with O2:an elementary reaction mechanism for isobutene oxidation. Journal of Physical Chemistry A 2000; 104(43):9715-9732. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Chesnokov EN, Krasnoperov LN. Complete thermodynamically consistent kinetic model of particle nucleation and growth:numerical study of the applicability of the classical theory of homogeneous nucleation. Journal of Chemical Physics 2007;126(14):144504. R824970 (Final)
  • Abstract from PubMed
  • Abstract: AIP-Abstract
    Exit
  • Journal Article Christoforou CS, Salmon LG, Hannigan MP, Solomon PA, Cass GR. Trends in fine particle concentration and chemical composition in Southern California. Journal of the Air & Waste Management Association 2000;50(1):43-53. R824970 (Final)
  • Abstract from PubMed
  • Full-text: SemanticsScholar-Full Text PDF
    Exit
  • Journal Article DiNaro JL, Howard JB, Green WH, Tester JW, Bozzelli JW. Elementary reaction mechanism for benzene oxidation in supercritical water. Journal of Physical Chemistry A 2000;104(45):10576-10586. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Forstner HJL, Flagan RC, Seinfeld JH. Molecular speciation of secondary organic aerosol from photooxidation of the higher alkenes:1-octene and 1-decene. Atmospheric Environment 1997;31(13):1953-1964. R824970 (Final)
  • Full-text: ScienceDirect-Full Text PDF
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Forstner HJL, Flagan RC, Seinfeld JH. Secondary organic aerosol from the photooxidation of aromatic hydrocarbons: molecular composition. Environmental Science & Technology 1997;31(5):1345-1358. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Gard EE, Kleeman MJ, Gross DS, Hughes LS, Allen JO, Morrical BD, Fergenson DP, Dienes T, Galli ME, Johnson RJ, Cass GR, Prather KA. Direct observation of heterogeneous chemistry in the atmosphere. Science 1998;279(5354):1184-1187. R824970 (Final)
  • Full-text: Science-Full Text PDF
    Exit
  • Abstract: Science-Abstract and Full Text HTML
    Exit
  • Journal Article Glarborg P, Kubel D, Dam-Johansen K, Chiang H-M, Bozzelli JW. Impact of SO2 and NO on CO oxidation under post-flame conditions. International Journal of Chemical Kinetics 1996;28(10):773-790. R824970 (Final)
  • Abstract: Wiley
    Exit
  • Journal Article Green WH, Barton PI, Bhattacharjee B, Matheu DM, Schwer DA, Song J, Sumathi R, Carstensen H-H, Dean AM, Grenda JM. Computer construction of detailed chemical kinetic models for gas-phase reactors. Industrial & Engineering Chemistry Research 2001;40(23):5362-5370. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Griffin RJ, Cocker III DR, Flagan RC, Seinfeld JH. Organic aerosol formation from the oxidation of biogenic hydrocarbons. Journal of Geophysical Research 1999;104(D3):3555-3567. R824970 (Final)
  • Full-text: Wiley-Full Text PDF
    Exit
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Griffin RJ, Dabdub D, Cocker III DR, Seinfeld JH. Estimate of global atmospheric organic aerosol from oxidation of biogenic hydrocarbons. Geophysical Research Letters 1999;26(17):2721-2724. R824970 (Final)
  • Full-text: Wiley-Full Text PDF
    Exit
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Grosjean E, Grosjean D, Seinfeld JH. Atmospheric chemistry of 1-octene, 1-decene, and cyclohexene: gas-phase carbonyl and peroxyacyl nitrate products. Environmental Science & Technology 1996;30(3):1038-1047. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Grosjean E, Grosjean D, Seinfeld JH. Gas-phase reaction of ozone with trans-2-hexenal, trans-2-hexenyl acetate, ethylvinyl ketone, and 6-methyl-5-hepten-2-one. International Journal of Chemical Kinetics 1996; 28(5):373-382. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Hannigan MP, Cass GR, Lafleur AL, Longwell JP, Thilly WG. Bacterial mutagenicity of urban organic aerosol sources in comparison to atmospheric samples. Environmental Science & Technology 1994;28(12):2014-2024. R824970 (Final)
  • Full-text: ACS-Full Text PDF
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Journal Article Hannigan MP, Cass GR, Lafleur AL, Busby Jr WF, Thilly WG. Seasonal and spatial variation of the bacterial mutagenicity of fine organic aerosol in Southern California. Environmental Health Perspectives 1996;104(4):428-436. R824970 (Final)
  • Full-text from PubMed
  • Abstract from PubMed
  • Associated PubMed link
  • Journal Article Hoffmann,T, Odum JR, Bowman F, Collins D, Klockow D, Flagan RC, Seinfeld JH. Formation of organic aerosols from the oxidation of biogenic hydrocarbons. Journal of Atmospheric Chemistry 1997;26(2):189-222. R824970 (Final)
  • Abstract: Springer-Abstract
    Exit
  • Journal Article Hughes LS, Allen JO, Kleeman MJ, Johnson RJ, Cass GR. Size and composition distribution of atmospheric particles in Southern California. Environmental Science & Technology 1999; 33(20):3506-3515. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Hughes LS, Allen JO, Bhave P, Kleeman MJ, Cass GR, Liu D-Y, Fergenson DP, Morrical BD, Prather KA. Evolution of atmospheric particles along trajectories crossing the Los Angeles basin. Environmental Science & Technology 2000;34(15):3058-3068. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract:
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Jung D, Chen C-J, Bozzelli JW. Structures, rotation barrier, and thermodynamic properties ΔHf°298, S°298, and Cp(T) of chloromethyl hypochlorites CH3OCl, CH2ClOCl, CHCl2OCl, and CCl3OCl. Journal of Physical Chemistry A 2000;104(42):9581-9590. R824970 (Final)
    R826371 (Final)
    R826371C009 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Jungkamp TPW, Seinfeld JH. The mechanism of methoxy radical oxidation: hydrogen abstraction versus trioxy radical formation. Journal of Chemical Physics 1996;263(3-4):371-378. R824970 (Final)
  • Full-text: ScienceDirect-Full Text PDF
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Jungkamp TPW, Seinfeld JH. The enthalpy of formation of trioxy radicals ROOO (R=H, CH3, C2H5). An ad initio study. Chemical Physics Letters 1996;257(1-2):15-22. R824970 (Final)
  • Full-text: ScienceDirect-Full Text PDF
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Jungkamp TPW, Seinfeld JH. Prediction of bond dissociation energies and transition state barriers by a modified complete basis set model chemistry. Journal of Physical Chemistry 1997;107(5):1513-1521. R824970 (Final)
  • Full-text: CalTech-Full Text PDF
    Exit
  • Abstract: AIP-Abstract
    Exit
  • Journal Article Jungkamp TPW, Smith JN, Seinfeld JH. Atmospheric oxidation mechanism of n-butane:the fate of alkoxy radicals. Journal of Physical Chemistry 1997;101(24):4392-4401. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Kronholm DF, Howard JB. Analysis of soot surface growth pathways using published plug-flow reactor data with new particle size distribution measurements and published premixed flame data. Proceedings of the Combustion Institute 2000;28(2):2555-2561. R824970 (Final)
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Lay TH, Bozzelli JW, Dean AM, Ritter ER. Hydrogen-atom bond increments for calculation of thermodynamic properties of hydrocarbon radical species. Journal of Physical Chemistry 1995;99(39):14514-14527. R824970 (Final)
  • Full-text: ACS-Full Text PDF
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Journal Article Lay TH, Bozzelli JW, Seinfeld JH. Atmospheric photochemical oxidation of benzene:benzene plus OH and the benzene-OH adduct (hydroxyl-2,4-cyclohexadienyl) + O2. Journal of Physical Chemistry 1996;100(16):6543-6554. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Lay TH. Krasnoperov LN, Venanzi CA, Bozzelli JW, Shokhirev NV. Ab initio study of alpha-chlorinated ethyl hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH: conformational analysis, internal rotation barriers, vibrational frequencies, and thermodynamic properties. Journal of Physical Chemistry 1996;100(20):8240-8249. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Lay TH, Bozzelli JW. Enthalpies of formation of cyclic alkyl peroxides: dioxane, 1,2-dioxetane, 1,2-dioxolane, and 1,2-dioxane. Chemical Physics Letters 1997;268(1-2):175-179. R824970 (Final)
  • Full-text: ScienceDirect-Full Text PDF
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Lay TH; Bozzelli JW. Enthalpies of formation and group additivity of alkyl peroxides and trioxides. Journal of Physical Chemistry A 1997;101(49):9505-9510. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Lay TH, Tsai P-L, Yamada T, Bozzelli JW. Thermodynamic parameters and group additivity ring corrections for three-to-six-membered oxygen heterocyclic hydrocarbons. Journal of Physical Chemistry A 1997;101(13):2471-2477. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Liang C, Pankow JF, Odum JR, Seinfeld JH. Gas/particle partitioning of semivolatile organic compounds to model inorganic, organic, and ambient smog aerosols. Environmental Science & Technology 1997;31(11):3086-3092. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Matheu DM, Green Jr. WH, Grenda JM. Capturing pressure-dependence in automated mechanism generation: reactions through cycloalkyl intermediates. International Journal of Chemical Kinetics 2003;35(3):95-119. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Meng Z, Dabdub D, Seinfeld JH. Chemical coupling between atmospheric ozone and particulate matter. Science 1997;277(5322):116-119. R824970 (Final)
  • Full-text: Science-Full Text PDF
    Exit
  • Abstract: Science-Abstract and Full Text HTML
    Exit
  • Journal Article Mitra S, Li WF, Kebbekus B. Evaluation of a thermionic ionization detector for selective detection of oxygenated volatile organic compounds. Journal of Chromatographic Science 1995;33(7):405-409. R824970 (Final)
  • Abstract: OUP-Abstract
    Exit
  • Journal Article Mitra S, Lai A. A sequential valve-microtrap injection system for continuous, online gas-chromatographic analysis at trace levels. Journal of Chromatographic Science 1995;33(6):285-289. R824970 (Final)
  • Abstract: OUP-Abstract
    Exit
  • Journal Article Molina MJ, Zhang R, Broekhuizen K, Lei W, Navarro R, Molina LT. Experimental study of intermediates from OH-initiated reactions of toluene. Journal of the American Chemical Society 1999;121(43):10225-10226. R824970 (Final)
  • Full-text: ACS-Full Text PDF
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Journal Article Odum JR, Hoffman, Thorsten, Bownman F, Collins D, Flagan RC, Seinfeld JH. Gas/particle partitioning and secondary organic aerosol yields. Environmental Science & Technology 1996;30(8):2580-2585. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Odum JR, Jungkamp TPW, Griffin RJ, Flagan RC, Seinfeld JH. The atmospheric aerosol-forming potential of whole gasoline vapor. Science 1997;276(5309):96-99. R824970 (Final)
  • Full-text: Science-Full Text PDF
    Exit
  • Abstract: Science-Abstract and Full Text HTML
    Exit
  • Journal Article Odum JR, Jungkamp TPW, Griffin RJ, Forstner HJL, Flagan RC, Seinfeld JH. Aromatics, reformulated gasoline, and atmospheric organic aerosol formation. Environmental Science & Technology 1997;31(7):1890-1897. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Palotas AB, Rainey LC, Feldermann CJ, Sarofim AF, Vander Sande JB. Soot morphology: an application of image analysis in high-resolution transmission electron microscopy. Microscopy Research and Technique 1996;33(3):266-278. R824970 (Final)
  • Abstract from PubMed
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Palotas AB, Rainey LC, Sarofim AF, Vander Sande JB, Ciambelli P. Effect of oxidation on the microstructure of carbon blacks. Energy & Fuels 1996;10(1):254-259. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Palotas AB, Rainey LC, Sarofim AF, Vander Sande JB, Flagan RC. Where Did That Soot Come From?. Chemtech 1998; 28(7): 24-30. R824970 (Final)
    not available
    Journal Article Park B-I, Bozzelli JW, Booty MR, Bernhard MJ, Mesuere K, Pettigrew CA, Shi J-C, Simonich SL. Polymer pyrolysis and oxidation studies in a continuous feed and flow reactor: cellulose and polystyrene. Environmental Science & Technology 1999;33(15):2584-2592. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Pope CJ, Howard JB. Simultaneous particle and molecule modeling (SPAMM): an approach for combining sectional aerosol equations and elementary gas-phase reactions. Aerosol Science and Technology 1997;27(1):73-94. R824970 (Final)
  • Full-text: Taylor and Francis-Full Text PDF
    Exit
  • Abstract: Taylor and Francis-Abstract
    Exit
  • Journal Article Procaccini C, Bozzelli JW, Longwell JP, Smith KA, Sarofim AF. Presence of chlorine radicals and formation of molecular chlorine in the post-flame region of chlorocarbon combustion. Environmental Science & Technology 2000;34(21):4565-4570. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Qian G-H, Bagyi I, Pfeffer R, Shaw H, Stevens JG. A parametric study of a horizontal rotating fluidized bed using slotted and sintered metal cylindrical gas distributors. Powder Technology 1998;100(2-3):190-199. R824970 (Final)
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Qian G-H, Bagyi I, Pfeffer R, Shaw H, Stevens JG. Particle mixing in rotating fluidized beds: inferences about the fluidized state. AIChE Journal 1999;45(7):1401-1410. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Rainey L, Palotas A, Bolsaitis P, Vander Sande JB, Sarofim AF. Application of high resolution electron microscopy for the characterization and source assignment of diesel particulates. Applied Occupational and Environmental Hygiene 1996;11(7):777-781. R824970 (Final)
  • Abstract: Taylor and Francis-Abstract
    Exit
  • Journal Article Richter H, Howard JB. Formation of polycyclic aromatic hydrocarbons and their growth to soot--a review of chemical reaction pathways. Progress in Energy and Combustion Science 2000;26(4-6):565-608. R824970 (Final)
  • Full-text: University of Southern California-Full Text PDF
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Richter H, Mazyar OA, Sumathi R, Green WH, Howard JB, Bozzelli JW. Detailed kinetic study of the growth of small polycyclic aromatic hydrocarbons 1. 1-naphthyl + ethyne. Journal of Physical Chemistry A 2001;105(9):1561-1573. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Roehl CM, Marka Z, Fry JL, Wennberg PO. Near-UV photolysis cross sections of CH3OOH and HOCH2OOH determined via action spectroscopy. Atmospheric Chemistry and Physics 2007;7(3):713-720. R824970 (Final)
  • Full-text: ACP-Full Text PDF
    Exit
  • Abstract: ACP-Abstract
    Exit
  • Journal Article Schwer DA, Tolsma JE, Green Jr. WH, Barton PI. On upgrading the numerics in combustion chemistry codes. Combustion and Flame 2002;128(3):270-291. R824970 (Final)
  • Full-text: ScienceDirect-Full Text HTML
    Exit
  • Abstract: ScienceDirect-Abstract
    Exit
  • Other: ScienceDirect-Full Text PDF
    Exit
  • Journal Article Sheng C, Bozzelli JW. ab initio molecular orbital and density functional analysis of acetylene + O2 reactions with CHEMKIN evaluation. International Journal of Chemical Kinetics 2000;32(10):623-641. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Sumathi R, Carstensen H-H, Green WH. Reaction rate prediction via group additivity Part 1: H abstraction from alkanes by H and CH3. Journal of Physical Chemistry A 2001;105(28):6910-6925. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Sumathi R, Carstensen H-H, Green WH. Reaction rate prediction via group additivity, Part 2: H-abstraction from alkenes, alkynes, alcohols, aldehydes, and acids by H atoms. Journal of Physical Chemistry A 2001;105(39):8969-8984. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Sumathi R, Carstensen H-H, Green WH. Reaction rate predictions via group additivity. Part 3: Effect of substituents with CH2 as the mediator. Journal of Physical Chemistry A 2002;106(22):5474-5489. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Sumathi R, Green Jr. WH. A priori rate constants for kinetic modeling. Theoretical Chemistry Accounts 2002;108(4):187-213. R824970 (Final)
  • Abstract: Springer-Abstract
    Exit
  • Journal Article Sumathi R, Green Jr. WH. Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenates. Physical Chemistry Chemical Physics 2003;5(16):3402-3417. R824970 (Final)
  • Abstract: RSC-Abstract
    Exit
  • Journal Article Sun H, Chen C-J, Bozzelli JW. Structures, intramolecular rotation barriers, and thermodynamic properties (enthalpies, entropies and heat capacities) of chlorinated methyl hydroperoxides (CH2ClOOH, CHCl2OOH, and CCl3OOH). Journal of Physical Chemistry A 2000;104(35):8270-8282. R824970 (Final)
    R826371C009 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Thomson MJ, Lucas D, Koshland CP, Sawyer RF, Wu Y-P, Bozzelli JW. An experimental and numerical study of the high-temperature oxidation of 1,1,1-C2H3Cl3. Combustion and Flame 1994;98(1-2):155-169. R824970 (Final)
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Tolsma JE, Barton PI. DAEPACK: an open modeling environment for legacy models. Industrial Engineering & Chemical Research 2000;39(6):1826-1839. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Tolsma JE, Clabaugh JA, Barton PI. Symbolic incorporation of external procedures into process modeling environments. Industrial Engineering & Chemical Research 2002;41(16):3867-3876. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Tolsma JE, Barton PI. Hidden discontinuities and parametric sensitivity calculations. SIAM Journal on Scientific Computing 2002;23(6):1861-1874. R824970 (Final)
  • Abstract: SIAM-Abstract
    Exit
  • Journal Article Tse CW, Flagan RC, Seinfeld JH. Rate constants for the gas-phase reaction of the hydroxyl radical with a series of dimethylbenzaldehydes and trimethylphenols at atmospheric pressure. International Journal of Chemical Kinetics 1997;29(7):523-525. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Wu K-C, Hochgreb S. The roles of chemistry and diffusion on hydrocarbon post-flame oxidation. Combustion Science and Technology 1997;130(1-6):365-398. R824970 (Final)
  • Abstract: Taylor and Francis-Abstract
    Exit
  • Journal Article Xiao S, Ma K, Tang X, Shaw H, Pfeffer R, Stevens JG. The lean catalytic reduction of nitric oxide by solid carbonaceous materials. Applied Catalysis B: Environmental 2001;32(1-2):107-122. R824970 (Final)
  • Abstract: ScienceDirect-Abstract
    Exit
  • Journal Article Yamada T, Lay TH, Bozzelli JW. Ab initio calculations and internal rotor: contribution for thermodynamics properties S(O)298 and Cp(T)'s (300 < T/K < 1500): group additivity for fluoroethanes. Journal of Physical Chemistry A 1998;102(37):7286-7293. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Yamada T, Bozzelli JW, Berry RJ. Thermodynamic properties (Delta H-f(298), S(298), and C-p(T) (300 <= T <= 1500)) of fluorinated propanes. Journal of Physical Chemistry A 1999;103(28):5602-5610. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Yamada T, Bozzelli JW, Lay T. Kinetic and thermodynamic analysis on OH addition to ethylene: adduct formation, isomerization, and isomer dissociations. Journal of Physical Chemistry A 1999; 103(38):7646-7655. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Yamada,T.; Bozzelli,J.W.. Thermodynamic properties Delta H-f degrees(298), S degrees(298), and C-p(T) for 2-fluoro-2-methylpropane, Delta H-f degrees(298) of fluorinated ethanes, and group additivity for fluoroalkanes. Journal of Physical Chemistry A. 1999; 103(36): 7373-7379. R824970 (Final)
    not available
    Journal Article Yamada T, Bozzelli JW, Lay TH. Comparisons of CBS-q and G2 calculations on thermodynamic properties, transition states, and kinetics of dimethyl-ether plus O2 reaction system. International Journal of Chemical Kinetics 2000;32(7):435-452. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Yu J, Flagan RC, Seinfeld JH. Identification of products containing -COOH, -OH, and -C=O in atmospheric oxidation of hydrocarbons. Environmental Science & Technology 1998;32(16):2357-2370. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Yu JZ, Griffin RJ, Cocker DR, Flagan RC, Seinfeld JH, Blanchard P. Observation of gaseous and particulate products of monoterpene oxidation in forest atmospheres. Geophysical Research Letters 1999;26(8):1145-1148. R824970 (Final)
  • Full-text: Wiley-Full Text PDF
    Exit
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Yu J, Cocker III DR, Griffin RJ, Flagan RC, Seinfeld JH. Gas-phase ozone oxidation of monoterpenes: gaseous and particulate products. Journal of Atmospheric Chemistry 1999;34(2):207-258. R824970 (Final)
  • Full-text: SemanticsScholar-Full Text PDF
    Exit
  • Abstract: Springer-Abstract
    Exit
  • Journal Article Zhong X, Bozzelli JW. Thermochemical and kinetic analysis of the H, OH, HO2, O, and O2 association reactions with cyclopentadienyl radical. Journal of Physical Chemistry A 1998;102(20):3537-3555. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Zhong X, Bozzelli JW. Thermochemical and kinetic analysis on the addition reactions of H, O, OH, and HO2 with 1,3 cyclopentadiene. International Journal of Chemical Kinetics 1997;29(12):893-913. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Journal Article Zhu L, Bozzelli JW, Ho W-P. Reaction of OH radical with C2H3Cl:rate constant and reaction pathway analysis. Journal of Physical Chemistry A 1999;103(39):7800-7810. R824970 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Zhu L, Chen C-J, Bozzelli JW. Structures, rotational barriers, and thermodynamic properties of C2 vinyl and chlorovinyl alcohols and additivity groups. Journal of Physical Chemistry A 2000;104(40):9197-9206. R824970 (Final)
    R826371C009 (Final)
  • Full-text: ACS-Full Text HTML
    Exit
  • Abstract: ACS-Abstract
    Exit
  • Other: ACS-Full Text PDF
    Exit
  • Journal Article Zhu N, Li Z, Mitra S. Application of on-line membrane extraction microtrap gas chromatography (OLMEM-GC) for continuous monitoring of VOC emission. Journal of Microcolumn Separations 1998;10(5):393-399. R824970 (Final)
  • Abstract: Wiley-Abstract
    Exit
  • Supplemental Keywords:

    RFA, Scientific Discipline, Air, Waste, particulate matter, Environmental Chemistry, Analytical Chemistry, Environmental Monitoring, Atmospheric Sciences, Ecology and Ecosystems, Incineration/Combustion, atmospheric particulate matter, emission control strategies, atmospheric particles, air quality models, airborne particulate matter, combustion emissions, air pollution control, airborne organics, air pollution, atmospheric transport, aerosol dynamics, combustion, combustion kinetics

    Progress and Final Reports:

  • 1993
  • 1994
  • 1995
  • 1996
  • 1997
  • 1998
  • 1999
  • 2000
  • 2001
  • Final Report
  • Subprojects under this Center: (EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
    R824970C001 Chemical Kinetic Modeling of Formation of Products of Incomplete Combustion from Spark-ignition Engines
    R824970C002 Combustion Chamber Deposit Effects on Engine Hydrocarbon Emissions
    R824970C003 Atmospheric Transformation of Volatile Organic Compounds: Gas-Phase Photooxidation and Gas-to-Particle Conversion
    R824970C004 Mathematical Models of the Transport and Fate of Airborne Organics
    R824970C005 Elementary Reaction Mechanism and Pathways for Atmospheric Reactions of Aromatics - Benzene and Toluene
    R824970C006 Simultaneous Removal of Soot and NOx from the Exhaust of Diesel Powered Vehicles
    R824970C007 Modeling Gas-Phase Chemistry and Heterogeneous Reaction of Polycyclic Aromatic Compounds
    R824970C008 Fundamental Study on High Temperature Chemistry of Oxygenated Hydrocarbons as Alternate Motor Fuels and Additives
    R824970C009 Markers for Emissions from Combustion Sources
    R824970C010 Experimental Investigation of the Evolution of the Size and Composition Distribution of Atmospheric Organic Aerosols
    R824970C011 Microengineered Mass Spectrometer for in-situ Measurement of Airborne Contaminants