EPA Supersites Program-Related Emissions-Based Particulate Matter Modeling: Initial Applications and Advances

Abstract One objective of the U.S. Environmental Protection Agency’s (EPA’s) Supersite Program was to provide data that could be used to more thoroughly evaluate and improve air quality models, and then have those models used to address both scientific and policy-related issues dealing with air quality management. In this direction, modeling studies have used Supersites-related data and are reviewed here. Fine temporal resolution data have been used both to test model components (e.g., the inorganic thermodynamic routines) and air quality modeling systems (in particular, Community Multiscale Air Quality [CMAQ] and Comprehensive Air Quality Model with extensions [CAMx] applications). Such evaluations suggest that the inorganic thermodynamic approaches being used are accurate, as well as the description of sulfate production, although there are significant uncertainties in production of nitric acid, biogenic and ammonia emissions, secondary organic aerosol formation, and the ability to follow the formation and evolution of ultra-fine particles. Model applications have investigated how PM levels will respond to various emissions controls, suggesting that nitrate will replace some of the reductions in sulfate particulate matter (PM), although the replacement is small in the summer. Although not part of the Supersite program, modeling being conducted by EPA, regional planning organizations, and states for policy purposes has benefited from the detailed data collected, and the PM models have advanced by their more widespread use.

[1]  Richard Scheffe,et al.  Key scientific findings and policy- and health-relevant insights from the U.S. Environmental Protection Agency's Particulate Matter Supersites Program and related studies: an integration and synthesis of results. , 2008, Journal of the Air & Waste Management Association.

[2]  Spyros N. Pandis,et al.  Evaluation of a three‐dimensional chemical transport model (PMCAMx) in the eastern United States for all four seasons , 2007 .

[3]  P. Bhave,et al.  Seasonal and regional variations of primary and secondary organic aerosols over the continental United States: semi-empirical estimates and model evaluation. , 2007, Environmental science & technology.

[4]  Allen L. Robinson,et al.  Source contributions to primary organic aerosol : Comparison of the results of a source-resolved model and the chemical mass balance approach , 2007 .

[5]  S. Pandis,et al.  Predicted secondary organic aerosol concentrations from the oxidation of isoprene in the eastern United States. , 2007, Environmental science & technology.

[6]  Rohit Mathur,et al.  Evaluation of several PM2.5 forecast models using data collected during the ICARTT/NEAQS 2004 field study: PM2.5 FORECAST MODEL EVALUATION , 2007 .

[7]  Bonyoung Koo,et al.  Development and application of a three-dimensional aerosol chemical transport model, PMCAMx , 2007 .

[8]  A. M. Dunker,et al.  Implementing the decoupled direct method for sensitivity analysis in a particulate matter air quality model. , 2007, Environmental science & technology.

[9]  Allen L Robinson,et al.  Rethinking Organic Aerosols: Semivolatile Emissions and Photochemical Aging , 2007, Science.

[10]  High Time-Resolved Comparisons for In-Depth Probing of CMAQ Fine-Particle and Gas Predictions , 2007 .

[11]  A. Russell,et al.  Re‐examination of the 2003 North American electrical blackout impacts on regional air quality , 2006 .

[12]  Yongtao Hu,et al.  Evaluation of Fine Particle Number Concentrations in CMAQ , 2006 .

[13]  Yongtao Hu,et al.  Decoupled direct 3D sensitivity analysis for particulate matter (DDM-3D/PM) , 2006 .

[14]  Barbara Zielinska,et al.  Air Quality Measurements for the Aerosol Research and Inhalation Epidemiology Study , 2006, Journal of the Air & Waste Management Association.

[15]  David T. Allen,et al.  Modeling the impacts of emission events on ozone formation in Houston, Texas , 2006 .

[16]  A. Russell,et al.  Control Strategy Optimization for Attainment and Exposure Mitigation: Case Study for Ozone in Macon, Georgia , 2006, Environmental management.

[17]  M. Molina,et al.  Secondary organic aerosol formation from anthropogenic air pollution: Rapid and higher than expected , 2006 .

[18]  P. Adams,et al.  Temporally resolved ammonia emission inventories: Current estimates, evaluation tools, and measurement needs , 2006 .

[19]  Gail S. Tonnesen,et al.  CMAQ/CAMx annual 2002 performance evaluation over the eastern US , 2006 .

[20]  A. Russell,et al.  PM and light extinction model performance metrics, goals, and criteria for three-dimensional air quality models , 2006 .

[21]  Greg Yarwood,et al.  Model sensitivity evaluation for organic carbon using two multi-pollutant air quality models that simulate regional haze in the southeastern United States , 2006 .

[22]  Xiaoyang Zhang,et al.  Estimating emissions from fires in North America for air quality modeling , 2006 .

[23]  J. Schauer,et al.  Spatial distribution of carbonaceous aerosol in the southeastern United States using molecular markers and carbon isotope data , 2006 .

[24]  D. Allen,et al.  Secondary particle formation and evidence of heterogeneous chemistry during a wood smoke episode in Texas , 2006 .

[25]  James A. Mulholland,et al.  Source apportionment of PM2.5 in the southeastern United States using receptor and emissions-based models : Conceptual differences and implications for time-series health studies , 2006 .

[26]  P. Adams,et al.  Simulating the size distribution and chemical composition of ultrafine particles during nucleation events , 2006 .

[27]  C I Davidson,et al.  Semicontinuous measurements of organic carbon and acidity during the Pittsburgh Air Quality Study: implications for acid-catalyzed organic aerosol formation. , 2006, Environmental science & technology.

[28]  A L Robinson,et al.  Coupled partitioning, dilution, and chemical aging of semivolatile organics. , 2006, Environmental science & technology.

[29]  D. Byun,et al.  Review of the Governing Equations, Computational Algorithms, and Other Components of the Models-3 Community Multiscale Air Quality (CMAQ) Modeling System , 2006 .

[30]  D. Allen,et al.  Chlorine chemistry in urban atmospheres: Aerosol formation associated with anthropogenic chlorine emissions in southeast Texas , 2006 .

[31]  D. Allen,et al.  Modeling of surface reactions on carbonaceous atmospheric particles during a wood smoke episode in Houston, Texas , 2006 .

[32]  Yongtao Hu,et al.  Uncertainty in air quality model evaluation for particulate matter due to spatial variations in pollutant concentrations , 2006 .

[33]  James W. Boylan,et al.  Preliminary Evaluation of the Community Multiscale Air Quality Model for 2002 over the Southeastern United States , 2005, Journal of the Air & Waste Management Association.

[34]  Markku Kulmala,et al.  Observation of 2-methyltetrols and related photo-oxidation products of isoprene in boreal forest aerosols from Hyytiälä, Finland , 2005 .

[35]  John H. Seinfeld,et al.  Secondary organic aerosol formation from isoprene photooxidation under high‐NOx conditions , 2005 .

[36]  M. Claeys,et al.  Formation of 2-methyl tetrols and 2-methylglyceric acid in secondary organic aerosol from laboratory irradiated isoprene/NOX/SO2/air mixtures and their detection in ambient PM2.5 samples collected in the eastern United States , 2005 .

[37]  Armistead G Russell,et al.  Nonlinear response of ozone to emissions: source apportionment and sensitivity analysis. , 2005, Environmental science & technology.

[38]  Zhanqing Li,et al.  Simulations of fine particulate matter (PM2.5) in Houston, Texas , 2005 .

[39]  D. Allen,et al.  Hydrocarbon emissions from industrial release events in the Houston-Galveston area and their impact on ozone formation , 2005 .

[40]  Annmarie G Carlton,et al.  Isoprene forms secondary organic aerosol through cloud processing: model simulations. , 2005, Environmental science & technology.

[41]  David R Cocker,et al.  Impact of the hydrocarbon to NOx ratio on secondary organic aerosol formation. , 2005, Environmental science & technology.

[42]  Reply to comment by D. A. Hansen et al. on “The 2003 North American electrical blackout: An accidental experiment in atmospheric chemistry” , 2005 .

[43]  Dimitrios V. Vayenas,et al.  Simulation of the thermodynamics and removal processes in the sulfate-ammonia-nitric acid system during winter: Implications for PM2.5 control strategies , 2005 .

[44]  Jenise L. Swall,et al.  An assessment of the ability of three‐dimensional air quality models with current thermodynamic equilibrium models to predict aerosol NO3− , 2005 .

[45]  D. Allen,et al.  Predicting secondary organic aerosol formation rates in southeast Texas , 2005 .

[46]  J. Ondov,et al.  A new pseudodeterministic multivariate receptor model for individual source apportionment using highly time-resolved ambient concentration measurements : Particulate matter supersites , 2005 .

[47]  A. Goldstein,et al.  Atmospheric volatile organic compound measurements during the Pittsburgh Air Quality Study: Results, interpretation, and quantification of primary and secondary contributions , 2005 .

[48]  C. Stanier,et al.  Modeling of in situ ultrafine atmospheric particle formation in the eastern United States , 2005 .

[49]  Qi Ying,et al.  A comparison of the UCD/CIT air quality model and the CMB source-receptor model for primary airborne particulate matter , 2005 .

[50]  Christian Hogrefe,et al.  Examination of model predictions at different horizontal grid resolutions , 2005 .

[51]  D. Jacob,et al.  Estimating ground-level PM2.5 in the eastern United States using satellite remote sensing. , 2005, Environmental science & technology.

[52]  Klaus Wirtz,et al.  Is benzene a precursor for secondary organic aerosol? , 2005, Environmental science & technology.

[53]  Anthony S. Wexler,et al.  Size distribution of sea-salt emissions as a function of relative humidity , 2004 .

[54]  Andrey Khlystov,et al.  Nucleation Events During the Pittsburgh Air Quality Study: Description and Relation to Key Meteorological, Gas Phase, and Aerosol Parameters Special Issue of Aerosol Science and Technology on Findings from the Fine Particulate Matter Supersites Program , 2004 .

[55]  C. Davidson,et al.  Modeling the diurnal variation of nitrate during the Pittsburgh Air Quality Study , 2004 .

[56]  The 2003 North American electrical blackout: An accidental experiment in atmospheric chemistry , 2004 .

[57]  U. Baltensperger,et al.  Identification of Polymers as Major Components of Atmospheric Organic Aerosols , 2004, Science.

[58]  M. Andreae,et al.  Formation of Secondary Organic Aerosols Through Photooxidation of Isoprene , 2004, Science.

[59]  J. Seinfeld,et al.  Development and application of the Model of Aerosol Dynamics, Reaction, Ionization, and Dissolution (MADRID) , 2004 .

[60]  P. Mcmurry,et al.  Particulate matter science for policy makers : a NARSTO assessment , 2004 .

[61]  Kristen Lohman,et al.  PERFORMANCE EVALUATION OF FOUR AIR QUALITY MODELS APPLIED FOR AN ANNUAL SIMULATION OF PM OVER THE WESTERN UNITED STATES , 2004 .

[62]  T. Kleindienst,et al.  Determination of Secondary Organic Aerosol Products from the Photooxidation of Toluene and their Implications in Ambient PM2.5 , 2004 .

[63]  G. Hidy,et al.  The Southeastern Aerosol Research and Characterization Study: Part 1—Overview , 2003, Journal of the Air & Waste Management Association.

[64]  Thomas P. Kurosu,et al.  Global inventory of nitrogen oxide emissions constrained by space‐based observations of NO2 columns , 2003 .

[65]  N. Seaman,et al.  Future directions of meteorology related to air-quality research. , 2003, Environment international.

[66]  Armistead G Russell,et al.  High-order, direct sensitivity analysis of multidimensional air quality models. , 2003, Environmental science & technology.

[67]  Robin L. Dennis,et al.  Seasonal NH3 emission estimates for the eastern United States , 2003 .

[68]  B. Turpin,et al.  Origins of primary and secondary organic aerosol in Atlanta: results of time-resolved measurements during the Atlanta Supersite Experiment. , 2002, Environmental science & technology.

[69]  Christian Seigneur,et al.  Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents , 2002 .

[70]  Richard T. McNider,et al.  Development of a comprehensive, multiscale ''one-atmosphere'' modeling system: application to the Southern Appalachian Mountains , 2002 .

[71]  A. Wexler,et al.  Atmospheric aerosol models for systems including the ions H+, NH4+, Na+, SO42−, NO3−, Cl−, Br−, and H2O , 2002 .

[72]  Greg Yarwood,et al.  Comparison of source apportionment and source sensitivity of ozone in a three-dimensional air quality model. , 2002, Environmental science & technology.

[73]  G. Cass,et al.  An evaluation of the thermodynamic equilibrium assumption for fine particulate composition: Nitrate and ammonium during the 1999 Atlanta Supersite Experiment , 2002 .

[74]  K. Sahu,et al.  A Re-examination of the , 2001 .

[75]  Christian Hogrefe,et al.  Evaluating the performance of regional-scale photochemical modeling systems. Part III—Precursor predictions , 2001 .

[76]  I. J. Ackermann,et al.  Modeling the formation of secondary organic aerosol within a comprehensive air quality model system , 2001 .

[77]  Christian Seigneur,et al.  Current Status of Air Quality Models for Particulate Matter , 2001, Journal of the Air & Waste Management Association.

[78]  A. Russell,et al.  Emission Strength Validation Using Four-Dimensional Data Assimilation: Application to Primary Aerosol and Precursors to Ozone and Secondary Aerosol , 2001, Journal of the Air & Waste Management Association.

[79]  John N. McHenry,et al.  Evaluating the performance of regional-scale photochemical modeling systems: Part I—meteorological predictions , 2001 .

[80]  Da-Ren Chen,et al.  Measurement of Atlanta Aerosol Size Distributions: Observations of Ultrafine Particle Events , 2001 .

[81]  Iterative Inverse Modeling and Direct Sensitivity Analysis of a Photochemical Air Quality Model , 2000 .

[82]  J F Louis,et al.  Guidance for the Performance Evaluation of Three-Dimensional Air Quality Modeling Systems for Particulate Matter and Visibility , 2000, Journal of the Air & Waste Management Association.

[83]  A. Nenes,et al.  Continued development and testing of a new thermodynamic aerosol module for urban and regional air quality models , 1999 .

[84]  P. Solomon,et al.  The 1995-Integrated Monitoring Study (IMS95) of the California Regional PM10/PM2.5 Air Quality Study (CRPAQS) : Study overview : 1995 Integrated monitoring study , 1999 .

[85]  M. Jacobson Studying the effects of aerosols on vertical photolysis rate coefficient and temperature profiles over an urban airshed , 1998 .

[86]  A. Nenes,et al.  ISORROPIA: A New Thermodynamic Equilibrium Model for Multiphase Multicomponent Inorganic Aerosols , 1998 .

[87]  James G. Wilkinson,et al.  Fast, Direct Sensitivity Analysis of Multidimensional Photochemical Models , 1997 .

[88]  Peter H. McMurry,et al.  Modal Aerosol Dynamics Modeling , 1997 .

[89]  John H. Seinfeld,et al.  Photochemical modeling of the Southern California air quality study , 1993 .

[90]  John H. Seinfeld,et al.  Simulation of multicomponent aerosol dynamics , 1992 .

[91]  J. Seinfeld,et al.  Analysis of aerosol ammonium nitrate: Departures from equilibrium during SCAQS , 1992 .

[92]  J. Mann Control strategies. , 1987, AIDS action.

[93]  A. M. Dunker The decoupled direct method for calculating sensitivity coefficients in chemical kinetics , 1984 .

[94]  John H. Seinfeld,et al.  Relative humidity and temperature dependence of the ammonium nitrate dissociation constant , 1982 .

[95]  A. M. Dunker,et al.  Efficient calculation of sensitivity coefficients for complex atmospheric models , 1981 .

[96]  J. Seinfeld,et al.  Sectional representations for simulating aerosol dynamics , 1980 .

[97]  C H E N S O N G,et al.  Impact of the Hydrocarbon to NO x Ratio on Secondary Organic Aerosol Formation , 2022 .