Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States

EPA Grant Number: R826371
Center: Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States
Center Director: Seinfeld, John
Title: Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States
Investigators: Seinfeld, John , Arey, Janet , Atkinson, Roger , Bhave, Prakash , Bozzelli, Joseph W. , Cass, Glen , Dabdub, Donald , Davidson, Cliff I. , Kleeman, Michael J. , Pandis, Spyros N. , Pankow, James F. , Prather, Kimberly A. , Russell, Armistead G.
Institution: California Institute of Technology , Carnegie Mellon University , Georgia Institute of Technology , New Jersey Institute of Technology , Oregon Graduate Institute of Science & Technology , University of California - Irvine , University of California - Riverside
Current Institution: California Institute of Technology , Georgia Institute of Technology , New Jersey Institute of Technology , Oregon Graduate Institute of Science & Technology , University of California - Irvine , University of California - Riverside
EPA Project Officer: Shapiro, Paul
Project Period: April 15, 1998 through April 14, 2003
Project Amount: $2,999,210
RFA: Special Opportunity in Tropospheric Ozone (1997) RFA Text |  Recipients Lists
Research Category: Air Quality and Air Toxics , Air

Objective:

The objective of this research is to advance the understanding of emissions/air quality relationships for ozone and fine particles in the two most populous areas of the United States: California and the Northeastern states. First the description of the physics and chemistry that is incorporated into air quality models that simultaneously account for ozone and fine particle formation and transport will be improved, and methods will be developed to greatly increase the computational speed of such models. The models developed then will be applied both in Southern California and in the Northeastern United States, formal evaluations of model performance will be conducted, and the models will be used to study the effects of emissions controls on both ozone and fine particle air quality.

Approach:

The CIT airshed model and the nested grid version of that model (the URM model) previously have been employed to study emissions/air quality relationships leading to ozone formation in California and the Northeastern United States. These models will be used as platforms for testing new approaches to the creation of combined models that simultaneously account for both ozone and fine particle formation and transport. First the physics and chemistry that is available for incorporation into air quality models for ozone and fine particles will be improved. New aerosol thermodynamics models and models for aerosol/cloud interactions will be developed, and alternative approaches for representing the combined aerosol size and composition distribution within air quality models will be tested (Pandis and Russell), including methods for accurately representing particle-to-particle differences in chemical composition (Cass and Prather). An integrated study of how to best represent secondary organic aerosol formation within air quality models will be undertaken (Arey, Atkinson, Bozzelli, Flagan, Pankow and Seinfeld). The computational speed of the models will be increased through design of ozone and fine particle models that run on parallel supercomputers (Dabdub and Seinfeld). The completed models for ozone and fine particles will be evaluated through application in Southern California and throughout the Northeastern United States. Model evaluation in Southern California will be conducted by comparison to the detailed ozone, organic gases, and size-distributed particle data from the Southern California Air Quality Study (Dabdub and Seinfeld), and by comparison to a new 1996 set of field experimental data that details particle size and composition at the single particle level (Cass and Prather). Methods developed in California for representing the emissions of primary particles, organic gases and ammonia will be transferred to the eastern U.S. An improved emissions inventory for ammonia in the east will be prepared (Davidson and Cass). The multiscale version of the combined ozone and fine particle model will be evaluated against the best set of field observations that can be assembled in the east, including new fine particle data from a field monitoring network operated by Prof. Cass' group during 1995 in an area stretching from the Great Lakes to the Atlantic Ocean near Boston. The completed models will be used to evaluate the effects of emissions controls on ozone and fine particle air quality in both California and in the Northeast.

Expected Results:

This research will produce improved air quality models for both ozone and fine particle formation and transport, along with an evaluation of model performance both in California and in the Northeastern States, and an expanded understanding of the effect of emissions on air quality in those two regions. New algorithms for aerosol thermodynamics, secondary organic aerosol formation, aerosol/cloud interactions, representation of the particle size and composition distribution, and parallel computation will be developed that are needed by and will be made available to EPA's Models 3 initiative.


Journal Articles: 46 Displayed | Download in RIS Format

Other center views: All 49 publications 46 publications in selected types All 46 journal articles
Type Citation Sub Project Document Sources
Journal Article Anderson N, Strader R, Davidson C. Airborne reduced nitrogen: ammonia emissions from agriculture and other sources. Environment International 2003;29(2-3):277-286. R826371 (Final)
R826371C006 (Final)
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  • Journal Article Ansari AS, Pandis SN. An analysis of four models predicting the partitioning of semivolatile inorganic aerosol components. Aerosol Science and Technology 1999;31(2-3):129-153. R826371 (Final)
    R826371C005 (Final)
    R824793 (Final)
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  • Journal Article Ansari AS, Pandis SN. Water absorption by secondary organic aerosol and its effect on inorganic aerosol behavior. Environmental Science & Technology 2000;34(1):71-77. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Ansari AS, Pandis SN. The effect of metastable equilibrium states on the partitioning of nitrate between the gas and aerosol phases. Atmospheric Environment 2000;34(1):157-168. R826371C005 (Final)
    R824793 (Final)
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  • Journal Article Baker J, Aschmann SM, Arey J, Atkinson R. Reactions of stabilized criegee intermediates from the gas-phase reactions of O3 with selected alkenes. International Journal of Chemical Kinetics 2002;34(2):73-85. R826371 (Final)
    R826371C007 (Final)
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  • Journal Article Bethel HL, Atkinson R, Arey J. Products of the gas-phase reactions of OH radicals with p-xylene and 1,2,3- and 1,2,4-trimethylbenzene: effect of NO2 concentration. Journal of Physical Chemistry A 2000;104(39):8922-8929. R826371C007 (Final)
    R825252 (1998)
    R825252 (1999)
    R825252 (2000)
    R825252 (Final)
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  • Journal Article Bethel HL, Arey J, Atkinson R. Products of the OH radical-initiated reaction of 3-hexene-2,5-dione. Environmental Science & Technology 2001;35(22):4477-4480. R826371 (Final)
    R826371C007 (Final)
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  • Journal Article Bethel HL, Atkinson R, Arey J. Kinetics and products of the reactions of selected diols with the OH radical. International Journal of Chemical Kinetics 2001;33(5):310-316. R826371C007 (Final)
    R825252 (1998)
    R825252 (1999)
    R825252 (2000)
    R825252 (Final)
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  • Journal Article Bhave PV, Fergenson DP, Prather KA, Cass GR. Source apportionment of fine particulate matter by clustering single-particle data:tests of receptor model accuracy. Environmental Science & Technology 2001;35(10):2060-2072. R826371 (Final)
    R826371C001 (Final)
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  • Journal Article Bhave PV, Kleeman MJ, Allen JO, Hughes LS, Prather KA, Cass GR. Evaluation of an air quality model for the size and composition of source-oriented particle classes. Environmental Science & Technology 2002;36(10):2154-2163. R826371 (Final)
    R826371C001 (Final)
    R826371C004 (Final)
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  • Journal Article Bhave PV, Allen JO, Morrical BD, Fergenson DP, Cass GR, Prather KA. A field-based approach for determining ATOFMS instrument sensitivities to ammonium and nitrate. Environmental Science & Technology 2002;36(22):4868-4879. R826371 (Final)
    R826371C001 (Final)
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  • Journal Article Bozzelli JW, Jung D. Theoretical investigation on stability of the C•H2OCl radical. Journal of Physical Chemistry A 2001;105(16):3941-3946. R826371 (Final)
    R826371C009 (Final)
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  • Journal Article Capaldo KP, Pilinis C, Pandis SN. A computationally efficient hybrid approach for dynamic gas/aerosol transfer in air quality models. Atmospheric Environment 2000;34(21):3617-3627. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Clegg SL, Seinfeld JH, Brimblecombe P. Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds. Journal of Aerosol Science 2001;32(6):713-738. R826371 (Final)
    R826371C003 (Final)
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  • Journal Article Fahey KM, Pandis SN. Optimizing model performance:variable size resolution in cloud chemistry modeling. Atmospheric Environment 2001;35(26):4471-4478. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Fahey KM, Pandis SN. Size-resolved aqueous-phase atmospheric chemistry in a three-dimensional chemical transport model. Journal of Geophysical Research: Atmospheres 2003;108(D22):4690, doi:10.1029/2003JD003564. R826371C005 (Final)
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  • Journal Article Gaydos TM, Koo B, Pandis SN, Chock DP. Development and application of an efficient moving sectional approach for the solution of the atmospheric aerosol condensation/evaporation equations. Atmospheric Environment 2003;37(23):3303-3316. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Gaydos TM, Stanier CO, Pandis SN, Pandis SN. Modeling of in situ ultrafine atmospheric particle formation in the eastern United States. Journal of Geophysical Research: Atmospheres 2005;110(D7):D07S12 (12 pp.). R826371 (Final)
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  • Journal Article Goebes MD, Strader R, Davidson C. An ammonia emission inventory for fertilizer application in the United States. Atmospheric Environment 2003;37(18):2539-2550. R826371 (Final)
    R826371C006 (Final)
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  • Journal Article Griffin RJ, Dabdub D, Seinfeld JH. Secondary organic aerosol 1. Atmospheric chemical mechanism for production of molecular constituents. Journal of Geophysical Research 2002;107(D17):4332 (26 pp.). R826371 (Final)
    R826371C003 (Final)
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  • Journal Article Griffin RJ, Dabdub D, Kleeman MJ, Fraser MP, Cass GR, Seinfeld JH. Secondary organic aerosol 3. Urban/regional scale model of size-and composition-resolved aerosols. Journal of Geophysical Research: Atmospheres 2002;107(D17):4334 (14 pp.). R826371 (Final)
    R826371C003 (Final)
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  • 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. R826371 (Final)
    R826371C009 (Final)
    R824970 (Final)
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  • Journal Article Kleeman MJ, Cass GR. Source contributions to the size and composition distribution of urban particulate air pollution. Atmospheric Environment 1998;32(6):2803-2816. R826371 (Final)
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  • Journal Article Kleeman MJ, Hughes LS, Allen JO, Cass GR. Source contributions to the size and composition distribution of atmospheric particles:Southern California in September 1996. Environmental Science & Technology 1999;33(23):4331-4341. R826371 (Final)
    R826371C002 (Final)
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  • Journal Article Kleeman MJ, Cass GR. A 3D Eulerian source-oriented model for an externally mixed aerosol. Environmental Science & Technology 2001;35(24):4834-4848. R826371 (Final)
    R826371C002 (Final)
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  • Journal Article Kleeman MJ, Eldering A, Hall JR, Cass GR. Effect of emissions control programs on visibility in southern California. Environmental Science & Technology 2001;35(23):4668-4674. R826371 (Final)
    R826371C002 (Final)
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  • Journal Article Koo B, Gaydos TM, Pandis SN. Evaluation of the equilibrium, dynamic, and hybrid aerosol modeling approaches. Aerosol Science and Technology 2003;37(1):53-64. R826371 (Final)
    R826371C005 (Final)
    R831709 (2007)
    R831709C003 (2004)
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  • Journal Article Koo B, Ansari AS, Pandis SN. Integrated approaches to modeling the organic and inorganic atmospheric aerosol components. Atmospheric Environment 2003;37(34):4757-4768. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Lee J, Chen C-J, Bozzelli JW. Thermochemical and kinetic analysis of the acetyl radical (CH3C •O) + O2 reaction system. Journal of Physical Chemistry A 2002;106(31):7155-7170. R826371 (Final)
    R826371C009 (Final)
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  • Journal Article Lee J, Bozzelli JW. Reaction of H + ketene to formyl methyl and acetyl radicals and reverse dissociations. International Journal of Chemical Kinetics 2003;35(1):20-44. R826371 (Final)
    R826371C009 (Final)
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  • Journal Article Lee J, Bozzelli JW. Thermochemical and kinetic analysis of the formyl methyl radical + O2 reaction system. Journal of Physical Chemistry A 107(19):3778-3791. R826371 (Final)
    R826371C009 (Final)
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  • Journal Article Martin P, Tuazon EC, Aschmann SM, Arey J, Atkinson R. Formation and atmospheric reactions of 4,5-dihydro-2-methylfuran. Journal of Physical Chemistry A 2002;106(47):11492-11501. R826371 (Final)
    R826371C007 (Final)
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  • Journal Article Moya M, Ansari AS, Pandis SN. Partitioning of nitrate and ammonium between the gas and particulate phases during the1997 IMADA-AVER study in Mexico City. Atmospheric Environment 2001;35(10):1791-1804. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Moya M, Pandis SN, Jacobson MZ. Is the size distribution of urban aerosols determined by thermodynamic equilibrium? An approach to Southern California. Atmospheric Environment 2002;36(14):2349-2365. R826371 (Final)
    R826371C005 (Final)
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  • Journal Article Nguyen K, Dabdub D. Two-level time-marching scheme using splines for solving the advection equation. Atmospheric Environment 2001;35(9):1627-1637. R826371 (Final)
    R826371C004 (Final)
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  • Journal Article Nguyen K, Dabdub D. NOx and VOC control and its effect on the formation of aerosols. Aerosol Science & Technology 2002;36(5):560-572. R826371 (Final)
    R826371C004 (Final)
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  • Journal Article Pankow JF, Seinfeld JH, Asher WE, Erdakos GB. Modeling the formation of secondary organic aerosol. 1. Application of theoretical principles to measurements obtained in the α-pinene/, β-pinene/, sabinene/, Δ3-carene/, and cyclohexene/ozone systems. Environmental Science & Technology 2001;35(6):1164-1172. R826371 (Final)
    R826371C003 (Final)
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  • Journal Article Pun BK, Griffin RJ, Seigneur C, Seinfeld JH. Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents. Journal of Geophysical Research-Atmospheres 2002;107(D17):4333 (15 pp.). R826371 (Final)
    R826371C003 (Final)
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  • Journal Article Reisen F, Arey J. Reactions of hydroxyl radicals and ozone with acenaphthene and acenaphthylene. Environmental Science & Technology 2002;36(20):4302-4311. R826371 (Final)
    R826371C007 (Final)
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  • Journal Article Seinfeld JH, Erdakos GB, Asher WE, Pankow JF. Modeling the formation of secondary organic aerosol (SOA). 2. The predicted effects of relative humidity on aerosol formation in the α-pinene-, β-pinene-, Sabinene-, Δ3-carene-, and cyclohexene-ozone systems. Environmental Science & Technology 2001;35(9):1806-1817. R826371 (Final)
    R826371C003 (Final)
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  • Journal Article Song X-H, Hopke PK, Fergenson DP, Prather KA. Classification of single particles analyzed by ATOFMS using an artificial neural network, ART-2A. Analytical Chemistry 1999;71(4):860-865. R826371 (Final)
    R826371C001 (Final)
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  • 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. R826371C009 (Final)
    R824970 (Final)
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  • Journal Article Sun H, Bozzelli JW. Structures, intramolecular rotation barriers, and thermochemical properties of radicals derived from H atom loss in mono-, di-, and trichloromethanol and parent chloromethanols. The Journal of Physical Chemistry A 2001;105(18):4504-4516. R826371 (Final)
    R826371C009 (Final)
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  • Journal Article Sun H, Bozzelli JW. Structures, intramolecular rotation barriers, and thermochemical properties:ethanol, α-monoethanols, dichloroethanols, and corresponding radicals derived from H atom loss. Journal of Physical Chemistry A 2001;105(41):9543-9552. R826371 (Final)
    R826371C009 (Final)
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  • 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. R826371C009 (Final)
    R824970 (Final)
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  • Journal Article Zhu L, Bozzelli JW. Structures, rotational barriers, and thermochemical properties of chlorinated aldehydes and the corresponding acetyl (CC•=O) and formyl methyl radicals (C•C=O) and additivity groups. Journal of Physical Chemistry A 2002;106(2):345-355. R826371 (Final)
    R826371C009 (Final)
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  • Supplemental Keywords:

    air quality modeling, ambient air, particulate, ozone, environmental chemistry, California, Northeastern United States., RFA, Scientific Discipline, Air, particulate matter, Environmental Chemistry, Analytical Chemistry, tropospheric ozone, Atmospheric Sciences, aerosol formation, atmospheric particulate matter, fine particles, airborne particulate matter, fine particulates, ozone, air sampling, air pollution models, air quality model, chemical composition, atmospheric aerosol particles, aersol particles, California, aerosol thermodynamics, atmospheric chemistry, ambient aerosol particles

    Progress and Final Reports:

  • 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).
    R826371C001 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: Cal Tech, UC-Riverside, UC-San Diego, UC-Davis Report
    R826371C002 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: Cal Tech, Carnegie Mellon, Georgia Institute, NJIT, Oregon Institute, UC-Irvine, UC-Riverside Report
    R826371C003 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: Cal Tech Report
    R826371C004 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: California - Irvine Report
    R826371C005 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: Carnegie Mellon Report
    R826371C006 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: Carnegie Mellon Report
    R826371C007 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: UC-Riverside
    R826371C008 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: Oregon Health and Science Report
    R826371C009 Research Consortium on Ozone and Fine Particle Formation in California and in the Northeastern United States: NJIT Report