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SPECIATE 4.5: Speciation Database Development Documentation

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SPECIATE 4.5: Speciation Database Development Documentation FINAL REPORT EPA/600/R-16/294 September 2016 SPECIATE Version 4.5 Database Development Documentation EPA Contract No. EP-W-11-003 Work Assignment No. 4-100 Prepared for: Mr. Michael Kosusko (E343-02) Office of Research and Development U.S. Environmental Protection Agency Research Triangle Park, NC 27711 Submitted by: Abt Associates Inc. Drs. Ying Hsu, Frank Divita, and Jonathan Dorn 4550 Montgomery Avenue Suite 800 North Bethesda, MD 20814 Final Report [This page intentionally left blank.] pg. ii Final Report Abstract SPECIATE is the U.S. Environmental Protection Agency’s (EPA) repository of volatile organic gas and particulate matter (PM) speciation profiles of air pollution sources. Some of the many uses of these source profiles include: (1) creating speciated emissions inventories for regional haze, PM, greenhouse gas (GHG), and photochemical air quality modeling; (2) estimating hazardous and toxic air pollutant emissions from PM and organic gas primary emissions; (3) providing input to chemical mass balance (CMB) receptor models; and, (4) verifying profiles derived from ambient measurements by multivariate receptor models (e.g., factor analysis and positive matrix factorization). This report documents the updates that EPA applied to SPECIATE version 4.4 to develop the SPECIATE 4.5 database. EPA generated SPECIATE 4.5 by appending 296 volatile organic gas profiles and 182 PM profiles to the SPECIATE 4.4 database. In total, the SPECIATE 4.5 database includes 6,206 PM, volatile organic compound (VOC), total organic gases (TOG), and Other Gases profiles. The SPECIATE 4.5 database also contains a table titled “Semi-volatile Organic Compounds (SVOC) Splitting Factors” that provides suggested SVOC partitioning factors between PM and gaseous phases. Abt Associates, Inc. developed SPECIATE 4.5 through a collaboration involving EPA’s Office of Research and Development (ORD) and Office of Air Quality Planning and Standards (OAQPS) in Research Triangle Park, NC, and Office of Transportation and Air Quality (OTAQ) in Ann Arbor, MI. This report first discusses the uses and structure of the SPECIATE 4.5 database in Chapters I and II, respectively. Chapter III identifies the major data sources and presents the methods used to develop the new profiles not previously included in SPECIATE. Chapter IV provides important notes and comments on the use of the profiles, Chapter V briefly discusses source profile preparation methods, and Chapter VI provides the references for this report. pg. iii Final Report [This page intentionally left blank.] pg. iv Final Report Acknowledgments SPECIATE 4.5 is made possible by the following funding organizations: • EPA National Exposure Research Laboratory (NERL) • EPA National Risk Management Research Laboratory (NRMRL) • EPA Office of Air Quality Planning and Standards (OAQPS) • EPA Office of Transportation and Air Quality (OTAQ) The authors would like to thank the members of EPA’s SPECIATE Workgroup and those individuals that provided data for the SPECIATE 4.5 database. The primary contact for the project is Mr. Michael Kosusko, the EPA Work Assignment Manager (WAM) for this project; the Alternate WAM is Dr. Madeleine Strum. The Workgroup is coordinated by Mr. Kosusko, and staffed by air quality professionals from the EPA’s Office of Research and Development and the Office of Air and Radiation. As of September 2016, the committee members include: SPECIATE WORKGROUP MEMBERSHIP, August 2016 NAME EPA OFFICE EPA DIVISION EXPERTISE/SPECIALIZATION Health Benefits of Air Quality Souad Benromdhane OAR/OAQPS HEID Management Richard Cook OAR/OTAQ NVFEL Mobile Source Air Toxics Emission Source Testing and Ingrid George ORD/NRMRL APPCD Black Carbon Air Pollution Research Beth Hassett-Sipple ORD/IOAA NPD (ACE) Management Michael Hays ORD/NRMRL APPCD Emission Source Testing Climate Change and Black Brooke Hemming ORD/NCEA NCEA-RTP Carbon Emission Source Testing and Amara Holder ORD/NRMRL APPCD Black Carbon Sue Kimbrough ORD/NRMRL APPCD Emission Source Testing Air Pollution Control, Project Michael Kosusko ORD/NRMRL APPCD Management Deborah Luecken ORD/NERL CED Gas-phase Chemistry Fugitive Source Emissions Rebecca Matichuk EPA REGION 8 OPRA Inventories Emissions Modeling George Pouliot ORD/NERL CED (Inventories and Platforms) Secondary Organic Aerosol Havala Pye ORD/NERL CED Modeling Biomass Burning and Black Venkatesh Rao OAR/OAQPS AQAD Carbon Inventory Air Pollution Research Lee Riddick ORD/NERL SED Management Heather Simon OAR/OAQPS AQAD Air Quality Modeling pg. v Final Report SPECIATE WORKGROUP MEMBERSHIP, August 2016 NAME EPA OFFICE EPA DIVISION EXPERTISE/SPECIALIZATION Mobile Source Emissions and Darrell Sonntag OAR/OTAQ ASD Air Quality Modeling Madeleine Strum OAR/OAQPS AQAD National Emissions Inventory Eben Thoma ORD/NRMRL APPCD Emission Source Testing Mobile Source Emissions and Catherine Yanca OAR/OTAQ ASD Air Quality Modeling Air Pollution Control, Tiffany Yelverton ORD/NRMRL APPCD Combustion, and Black Carbon pg. vi Final Report Contents Abstract .......................................................................................................................................... iii Acknowledgments............................................................................................................................v Contents ........................................................................................................................................ vii Tables .......................................................................................................................................... viii Figures.......................................................................................................................................... viii Acronyms and Abbreviations ........................................................................................................ ix CHAPTER I. Introduction ..............................................................................................................1 CHAPTER II. SPECIATE Database ..............................................................................................5 A. Use of the Database .............................................................................................................5 B. Database Design...................................................................................................................5 C. Data Dictionary ..................................................................................................................14 D. Profile Rating Criteria ........................................................................................................16 CHAPTER III. Profiles Included in SPECIATE ..........................................................................19 A. New Profiles Included in SPECIATE 4.5 ..........................................................................19 B. Additional EPA Speciation Data .......................................................................................20 C. Cass Group Speciation Data ..............................................................................................21 D. California Air Resources Board (CARB) Speciation Profiles ...........................................22 E. Desert Research Institute (DRI) Speciation Profiles .........................................................22 F. Texas Commission on Environmental Quality (TCEQ) Speciation Profiles ....................22 G. Profiles Prepared from Environment Canada’s National Pollutant Release Inventory .....23 H. Environment Canada Mobile Source Speciation Profiles ..................................................23 I. Coordinating Research Council E-75 Diesel Exhaust Speciation Database ......................23 J. SPECIATE 3.2 Legacy Profiles .........................................................................................24 CHAPTER IV. Important Notes and Comments Related to the SPECIATE Database ...............25 A. Completeness of the SPECIATE Database........................................................................25 B. Unresolved Mixtures within Profiles .................................................................................25 C. Preference of New Profiles ................................................................................................27 D. Identification of Species ....................................................................................................27 E. Mass Fractions of Unmeasured Species ............................................................................28 F. Renormalization of PM Profiles ........................................................................................31 G. Avoiding Double-Counting Compounds ...........................................................................31 H. Inorganic Gases in PM Profiles .........................................................................................32 I. Correction Factors for Oxygenated Compounds ...............................................................32 J. Other Correction Factors....................................................................................................32 K. Data from Tunnel Studies ..................................................................................................33 L. VOC-to-TOG Conversion Factors .....................................................................................33 M. Composite PM and TOG Profiles ......................................................................................33
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