Final Report: 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 , 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 overall objective of this research consortium was 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 United States. The specific objectives of the Center were to: (1) improve the description of the physics and chemistry that is incorporated into air quality models that simultaneously predict ozone and fine particle formation and transport; (2) design and implement numerical algorithms to solve the atmospheric diffusion equation on computers having parallel architectures; (3) create a regional understanding of emissions/air quality relationships for ozone and fine particles in Southern California; and (4) develop and evaluate a multi-scale ozone and particulate matter model for the Northeastern United States and use the model to create a regional understanding of the cause and effect relationships that govern ozone and fine particle air quality in the Northeastern United States. The Center’s overall goal was to bring together a team of investigators from across the country to infuse state-of-the-science chemistry, physics, and numerical mathematics into models used to simulate particulate air quality, and then apply these models to two of the most important areas of the country from an air quality perspective: The South Coast Air Basin of California and the Northeastern United States.

Summary/Accomplishments (Outputs/Outcomes):

Atmospheric models are the tools by which one assesses the effect of emissions changes on air quality. Such models are a mathematical embodiment of all that is known about the chemistry and physics relevant for species emitted into the atmosphere. The U.S. Clean Air Act specifies that atmospheric models are to be used when formulating Air Quality Management Plans. First developed in the 1970s, three-dimensional air quality models were initially focused on gas-phase species; a major goal was simulating urban/regional ozone formation. In the late 1980s and early 1990s, particulate matter (aerosols) was integrated into atmospheric models. During this 30-year period, models have evolved as more is learned about the chemistry and physics of the atmosphere.

Simulation of gas and particulate air quality at the urban and/or regional scale now represents an undertaking of enormous importance and complexity. To insure that future decisions about levels of emission control needed to meet ambient air quality standards are based on the best science possible, it is essential that the U.S. Environmental Protection Agency (EPA) foster continued development of the state-of-the-art of atmospheric models.

Each Principal Investigator brought unique interests to the project. Figure 1 shows a schematic of the building blocks of a comprehensive, three-dimensional urban/regional-scale gas/particulate atmospheric model, with application to the two regions noted. The figure indicates the areas to which each of the Principal Investigators directed his or her efforts. The project was characterized by a significant degree of collaboration among investigators to achieve the goals set forward in the original proposal.

Major achievements of the Center include:

· Significant improvements in atmospheric air quality models were accomplished in the areas of aerosol microphysics, chemistry, and numerical methods. These improvements have been transferred to the EPA’s Community Multi-scale Air Quality model.

· Advancements in the understanding of gas-phase reactions important in ozone and aerosol formation were achieved through both laboratory and theoretical research.

· Techniques for using single-particle mass spectrometry data in evaluating atmospheric models have been developed and tested.

· Emissions inventory procedures were advanced, and a national inventory of ammonia emissions was assembled.

· A better understanding of impacts of emissions on ozone and particulate air quality was accomplished for the South Coast Air Basin of California and the Northeastern United States.


Figure 1. Roles of Principal Investigators in advancing the treatment of physics, chemistry, and numerical methods in comprehensive atmospheric ozone/particulate matter models.


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)
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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:

    atmosphere, ozone, chemicals, toxic, toxic substance, oxidants, sulfates, organics, particulates, volatile organic compound, VOC, nitrogen oxide, modeling, monitoring, Northeast, California, CA, Pacific Coast., 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:

    Original Abstract
  • 1998
  • 1999
  • 2000
  • 2001
  • 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