EPA/600/R-11/121 September 2011 SPECIATE 4.3: ADDENDUM TO SPECIATE 4.2 SPECIATION DATABASE DEVELOPMENT DOCUMENTATION Prepared for: Mr. Lee Beck (E305-02) Office of Research and Development U.S. Environmental Protection Agency Research Triangle Park, NC27711 Prepared by: Drs. Ying Hsu and Frank Divita Jr. TranSystems | E.H. Pechan & Associates 5528-B Hempstead Way Springfield, VA22151 May 9, 2011 EPA Contract No. EP-D-07-097, WA 4-01 Pechan Report No. 10.12.001/9016.403 ------- ABSTRACT SPECIATE is the U.S. Environmental Protection Agency's (EPA) repository of volatile organic gas and paniculate matter (PM) speciation profiles of air pollution sources. Among the many uses of speciation data, these emission profiles can be used to: (1) create speciated emissions inventories for regional haze, PM, greenhouse gas (GHG), and photochemical air quality modeling; (2) estimate hazardous and toxic air pollutant emissions from PM and organic gas primary emissions; (3) provide input to the chemical mass balance (CMB) receptor model; and, (4) verify profiles derived from ambient measurements by multivariate receptor models (e.g., factor analysis and positive matrix factorization). The purpose of this addendum is to document how EPA developed the SPECIATE 4.3 database that updates the prior version of the SPECIATE 4.2 database. The majority of new speciation profiles incorporated came from EPA and peer reviewed literature. Emission source sectors include internal combustion engine exhaust from onroad vehicles and marine vessels, gasoline and its evaporative emissions, ethanol fuel production, pulp and paper industry, and several other stationary sources. In total, there were ISlvolatile organic gas profiles, 244 PM profiles, and 10 speciated mercury profiles appended to the SPECIATE 4.3 database. The SPECIATE 4.3 database includes a total of 5,592 PM, volatile organic gases, and Other Gases profiles. ------- ACKNOWLEDGMENTS The funding organizations and their key contributors are acknowledged for their support to the SPECIATE program which made this update possible. This includes: • EPA National Exposure Research Laboratory (NERL) - David Mobley, David Kryak, and Tim Watkins • EPA National Risk Management Research Laboratory (NRMRL) - Doug McKinney • EPA Office of Air Quality Planning and Standards (OAQPS) - Douglas Solomon • EPA Office of Transportation and Air Quality (OTAQ) - Joseph Somers • Environment Canada - Marc Deslauriers The authors would like to thank all of the following individuals who were members of the EPA SPECIATE Workgroup or who provided data to this latest update of the SPECIATE 4.3 database. They include representatives in the Office of Research and Development and in the Office of Air and Radiation. Specifically, David Mobley, NERL and Chair of the Workgroup; Lee Beck, NRMRL and Work Assignment Manager; Prakash Bhave, Chuck Lewis, Adam Reff, Golam Sarwar, NERL; Marc Houyoux, Madeleine Strum, Deborah Luecken, Bill Kuykendal, Phil Lorang, Bill Johnson, and David Sanders, OAQPS; Joseph Somers, Catherine Yanca, Bryan Manning, and Marion Hoyer, OTAQ. 11 ------- Section I. Introduction SPECIATE is the U.S. EPA repository of volatile organic gas and particulate matter (PM) speciation profiles of air pollution sources. Among the many uses of speciation data, these emission profiles may be used to: (1) create speciated emissions inventories for regional haze, PM, greenhouse gas (GHG), and photochemical air quality modeling; (2) estimate hazardous air pollutant (HAP) and toxic air pollutant (TAP) emissions from PM and organic gas primary emissions; (3) provide input to the Chemical Mass Balance (CMB) receptor model; and, (4) verify profiles derived from ambient measurements by multivariate receptor models (e.g., factor analysis and positive matrix factorization). The SPECIATE 3.2 database that was released in 2002 contains profiles that are the result of testing and/or studies that were conducted in the 1980s, and in some cases, the 1970s. However, there are numerous sources of speciation data for PM, volatile organic compounds (VOC), and total organic gases (TOG, which include non-VOC) available from recent research studies and air quality management agency surveys. The EPA has been collecting new speciation data and collaborating with researchers to update the SPECIATE database. As a result, EPA released an updated SPECIATE database version 4.0 and database development documentation (EPA, 2006). Since the release of SPECIATE 4.0, there have been numerous new profiles added to the databases, which are named SPECIATE 4.1, 4.2, and 4.3. The purpose of this report is to summarize recent updates made to the latest SPECIATE 4.3 database. Copies of the updated database described in this report can be obtained online at http://www.epa.gov/ttn/chief/software/speciate/ or from the EPA Work Assignment Manager, Mr. Lee Beck (Beck.Lee@epa.gov). The reader is encouraged to visit this web presentation for access to complete documentation, downloadable versions of the SPECIATE database, access to the SPECIATE Data Browser, and other useful information associated with SPECIATE. This report documents the development of the SPECIATE 4.3 database, which updates the SPECIATE 4.2 database. SPECIATE 4.3 includes a total of 5,592 profiles (with 5,187 carried forward from SPECIATE 4.2). Therewere ISlvolatile organic gasprofiles,244 PM profiles, and 10 speciated mercury profiles appended to this version of the database. For detailed documentation of the SPECIATE database (e.g., structure, source profile preparation methods), please refer to the SPECIATE 4.2 Database Development Documentation (EPA, 2009). The SPECIATE user community has a wide range of interests and needs. Receptor modelers use SPECIATE as a source of data for emission source chemical profiles. Photochemical modelers make use of speciation data to properly characterize photochemical reactivity of VOC emissions and the chemical composition of PM emissions. Emission inventory preparers often turn to SPECIATE to fill data gaps in inventories of TAPs (which include HAPs) and GHG (e.g., methane, or black carbon reported as elemental carbon). Also, air quality control strategy analysts have an interest in the chemical make-up of VOC and PM emissions, so that control programs can better target the appropriate sources. The steering committee for this project is a working group of EPA and E.H. Pechan & Associates, Inc. (Pechan) staff, university researchers, receptor/photochemical/dispersion modelers, emission inventory developers, and government agency staff. Members of the ------- workgroup have contributed and/or gathered data, and have provided recommendations as to which specific speciation profiles should be added to the database. The primary purpose of this project was to update the most recent SPECIATE database to capture recent and scientifically-meritorious volatile organic gases and PM speciation profile data available from EPA, state agencies, peer-reviewed literature and other relevant data sources. SPECIATE 4.3 allows for storage of important information underlying each profile (meta data such as sampling and analysis methods, overall subjective profile quality ratings, etc.). In addition, ancillary data are also updated. These include the VOC-to-TOG conversion factors and the SCC-to-SPECIATE profile cross-reference table. To date and as shown in Figure 1, the initiative to update SPECIATE has produced: • 3,570 PM profiles; • 1,775 volatile organic gas profiles; • 247 Other Gases profiles; • A total of 2,274 unique species; While the database has been revised and many profiles have been added, the SPECIATE workgroup has identified and prioritized many data sets for which profiles will be developed and added to future versions of the SPECIATE database as resources allow. ------- Figure 1. Number of Source Profiles by Profile Type, Source Sector, and SPECIATE Version Total Number of Source Profiles by Sector Stationary Gasoline Diesel Offroad Biomass Coal Other Road Dust & Engines Engines Engines Combustion Combustion Combustion Soil PM Profiles Emission Sector Distribution 900 Stationary Gasoline Engines Diesel Engines Offroad Biomass Coal Other Road DustS Engines Combustion Combustion Combustion Soil Organic Gas Profiles Emission Sector Distribution Biomass Coal Other Combustion Combustion Combustion 100 90 80 70 60 50 20 10 Other Gases Profiles Emission Sector Distribution •Version 4.3 a Version 4.2 aversion 4.1 •Version 4.0 aversion 3.2 Stationary Gasoline Diesel Engines Engines Offroad Engines Biomass Combustion Coal Combustion Other Combustion ------- Section II. New Profiles in SPECIATE 4.3 Database Lists of thenew profiles appended to the SPECIATE 4.3 database areprovided and described in this section. Tables 1 and 2 include new organic gas and PM profiles incorporated into the SPECIATE 4.3 database, respectively. Table 3 lists 10 new speciated mercury profiles added to this version of database. Finally, Table 4 presents a list of new chemical species as a result of incorporating new profiles into the SPECIATE 4.3 database. The new profiles added to the SPECIATE 4.3 version are based on recent recommendations from the SPECIATE workgroup. One of the major data sources for this update is the EPA Office of Transportation and Air Quality (OTAQ). The EPA OTAQ has conducted several large emission characterization studies which produced many comprehensive speciation data sets. For example, the Kansas City PM Characterization Study (EPA 2008) tested over 50 light duty gasoline vehicles for both PM and non-methane organic gas (NMOG) emissions. Speciation profiles based on these individual tests are incorporated into the current version of the SPECIATE database. Since they are in the same vehicle category, they all share the same profile name. Multiple TOG speciation profiles which characterize gasoline engine exhaust fueled with three ethanol blends were also supplied by EPA OTAQ. Another important TOG emission sector studied was the diurnal permeation evaporative emissions. These TOG speciation profiles are based on three ethanol blends at 2 different Reid Vapor Pressures (RVPs). All of these profiles have been adapted for air quality modeling and policy making consideration (OTAQ, 2010). SPECIATE 4.3 includes emission profiles for internal combustion engine exhaust from marine vessels using heavy oil and onroad vehicles based on liquefied petroleum gas, ethanol fuel production industry, oil-fired boilers, residential wood combustion, landfill gas, olefin manufacturing, and petroleum refining industry. In addition, there are 44 non-methane organic gas and PM profiles added to characterize the pulp and paper industry emissions. Speciation data corresponding to all sources pertinent to kraft, sulfite and non-chemical pulp mills, including bleach plants, pulping and repulping area sources, kraft and sulfite chemical recovery, paper machines wood residue, bark-fired boilers, and combination boilers firing various fuels. These pulp and paper industry speciated emissions data were mainly compiled from EPA, California, and Texas sponsored studies. One hundred and seventy new composite and simplified PM profiles are also incorporated. They are based on a peer reviewed journal article published by several of the SPECIATE workgroup members (Reff et al., 2009). The authors carefully filtered through emission profiles in SPECIATE and selected individual profiles that represent a certain emission sector. The median of weight percents were calculated and renormalized to develop a composite profile. These composite PM profiles encompass a wide range of major emission sectors, including road dust, wildfires, agricultural burning, engine and fuel combustion exhaust, cement and other manufacturing industry, commercial cooking, etc. These profiles have been adapted for air quality modeling studies. ------- Section III. Recommended Future Work Recommended future tasks to further improve SPECIATE are: 1. Review and Update the "Source Classification Code (SCC)-to-Profile" Cross Reference Tables: The SCC-to-Profile tables include thousands of SCC codes and assigned speciation profiles for PM and organic gas emissions (EPA, 2010). These tables are essential for air quality modeling and toxic/speciated emission inventories. Some of the new profiles have been adapted and updated by EPA air quality modelers, e.g., new motor vehicle speciation profiles provided by EPA OTAQ. While the EPA's OAQPS posts SCC-to-profile cross-references formatted for the Sparse Matrix Operator Kernel Emissions (SMOKE) modeling system that used in their air quality modeling platforms (e.g., see www.epa.gov/ttn/chief/emch), they may not have all of the latest available profiles and they include only the SCCs in the inventories for the modeling platform. There are many other profiles available to better characterize emission compositions, e.g., pulp and paper industry, landfill gas, olefin manufacturing, and petroleum refining industry, etc. It is recommended that the project team review the SCC-to-Profile cross reference tables and identify outdated profiles. In addition to updating SCC-to-Profile cross reference tables with new profiles, this recommended review can be very helpful to identify future speciation data needs and update considerations. 2. Further Speciation Data Needs and Profile Development Prioritization: Based on the findings from reviewing the SCC-to-Profile cross reference tables, data search efforts should focus on source sectors that lack appropriate speciation profiles and where the emissions are significant. In addition, the workgroup has identified a long list of available speciation data sets. The findings from recommendation 1 should be considered to prioritize the future profile needs. 3. Develop Composite Profiles: There are many new profiles in the SPECIATE database that are based on individual tests. For example, the Kansas City PM Characterization Study (EPA, 2008) tested over 50 light duty gasoline vehicles for both PM and NMOG emissions. It is well known that emission compositions can vary significantly. Representative composite profiles are needed for source sectors that have multiple profiles available. It is recommended that users follow the Reff et al., (2009) methodology to carefully study these profiles and develop composite profiles. ------- Section IV. References Compilation of Air Toxics and Total Hydrocarbon Emissions Data for Sources at Kraft, Sulfite, and Non-chemical Pulp Mills - An Update Technical Bulletin No. 858, National Council for Air and Stream Improvement, Inc., February 2003. EPA, 2006: U.S. Environmental Protection Agency, SPECIATE 4.0 Speciation Database Development Documentation, EPA/600/R-06/161, November 2006. EPA, 2008: U.S. Environmental Protection Agency, "Kansas City PM Characterization Study," EPA 420-R-08-009, Assessment and Standards Division, Office of Transportation and Air Quality, April 2008. EPA, 2009: U.S. Environmental Protection Agency, SPECIATE 4.2 Speciation Database Development Documentation, EPA/600-R-09/038, June 2009. EPA, 2010, Emissions Modeling Clearinghouse Speciation web page, accessed on December 2nd, 2010, http://www.epa.gov/ttn/chief/emch/speciation. EPA OTAQ, 2010: personal communications with Pechan. Reff et al., 2009: Adam Reff, Prakash V. Bhave, Heather Simon, Thompson G. Pace, George A. Pouliot, J. David Mobley, and Marc Houyoux, "Emissions Inventory of PM2.5 Trace Elements across the United States, Environ. Sci. Technol, 43 (15), pp 5790-5796, 2009. ------- Table 1. Summary of New Organic Gas Profiles Appended to SPECIATE 4.3 Database Profile Number 5618 5619 5620 5621 5622 5623 5624 5625 5626 5627 5628 5629 5630 5631 5632 5633 5634 5635 5636 5637 5638 5639 5640 5641 5642 5643 5645 5647 Profile Name Light Duty Vehicle Exhaust - Gasoline - Test ID: S1-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S1-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S3-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S3-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S4-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S4-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-5 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S8-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S8-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S8-3 Residential Oil Boilers Residual Oil-Fired Power Plant Profile Type NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG VOC VOC Note Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test ------- Profile Number 5649 5650 5651 5652 5653 5654 5655 5656 5657 5658 5659 5660 5661 5662 5663 5664 5665 5666 5667 5668 5677 5678 8756 8757 8758 8759 8760 8761 8762 8763 Profile Name Kraft Process Recovery Boiler Residential Wood Combustion Landfill Gas - composite of extraction well gas Landfill Gas - gas collection systems Landfill Gas - passive vents Landfill Gas - flux chamber samples Gasoline - Mobile Grade 87 - adjusted for oxygenates Gasoline - Exxon Grade 87 - adjusted for oxygenates Gasoline - Shell Grade 87 - adjusted for oxygenates Gasoline - Mobile Grade 93 - adjusted for oxygenates Gasoline - Exxon Grade 93 - adjusted for oxygenates Gasoline - Shell Grade 93 - adjusted for oxygenates Gasoline - Mobile Gasohol 85 - adjusted for oxygenates Gasoline Headspace Vapor - Mobile Grade 87 - adjusted for oxygenates Gasoline Headspace Vapor - Exxon Grade 87 - adjusted for oxygenates Gasoline Headspace Vapor - Shell Grade 87 - adjusted for oxygenates Gasoline Headspace Vapor - Mobile Grade 93 - adjusted for oxygenates Gasoline Headspace Vapor - Exxon Grade 93 - adjusted for oxygenates Gasoline Headspace Vapor - Shell Grade 93 - adjusted for oxygenates Gasoline Headspace Vapor - Mobile Gasohol 85 - adjusted for oxygenates Passenger ferry - four-stroke diesel engines Passenger ferry - four-stroke diesel engines Gasoline Exhaust - Tier 2 light-duty vehicles using 0% Ethanol - Composite Profile Gasoline Exhaust - Tier 2 light-duty vehicles using 10% Ethanol - Composite Profile Gasoline Exhaust - Tier 2 light-duty vehicles using 15% Ethanol - Composite Profile Gasoline Exhaust - Cold Start - Tier 2 light-duty vehicles using 0% Ethanol - Composite Profile Gasoline Exhaust - Cold Start - Tier 2 light-duty vehicles using 10% Ethanol - Composite Profile Gasoline Exhaust - Cold Start - Tier 2 light-duty vehicles using 15% Ethanol - Composite Profile Gasoline Headspace Vapor using 0% Ethanol - Composite Profile Gasoline Headspace Vapor using 10% Ethanol - Composite Profile Profile Type NMOG NMHC TOG NMOG NMOG NMOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG VOC VOC TOG TOG TOG TOG TOG TOG TOG TOG Note 10 ------- Profile Number 8764 8765 8766 8767 8768 8769 8770 8771 8772 8773 8774 8775 8776 8777 8778 8779 8780 8781 8782 8783 8784 8785 8786 8787 8788 Profile Name Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 7 RVP - Composite Profile Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 9 RVP - Composite Profile Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol - Combined - Composite Profile Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 7 RVP - Composite Profile Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 10 RVP - Composite Profile Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol - Combined - Composite Profile Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 15% Ethanol - Combined Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 7 RVP Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 9 RVP Diurnal Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol - Combined Diesel Exhaust Emissions from Pre-2007 Model Year Heavy-Duty Diesel Trucks Diesel Exhaust Emissions from 2007 Model Year Heavy-Duty Diesel Engines with Controls Dry Mill Fuel Ethanol Production - whole facility Dry Mill Fuel Ethanol Production - cooling cyclone Dry Mill Fuel Ethanol Production - distillation scrubber Dry Mill Fuel Ethanol Production - fermentation bypass Dry Mill Fuel Ethanol Production - fermentation scrubber Dry Mill Fuel Ethanol Production - fluid bed cooler Dry Mill Fuel Ethanol Production - thermal oxidizer Pulp and Paper Mills - Kraft Mill Bleach Plants Pulp and Paper Mills - Kraft Oxygen Delignification System Vents Pulp and Paper Mills - Pulp Knotters Pulp and Paper Mills - Pulp Screens Pulp and Paper Mills - Vacuum Drum Type Brownstock Washers Pulp and Paper Mills - "Other" Brownstock Washers Profile Type TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG NMOG NMOG NMOG NMOG NMOG NMOG Note 11 ------- Profile Number 8789 8790 8791 8792 8793 8794 8795 8796 8797 8798 8799 8800 8801 8802 8803 8804 8805 8806 8807 8808 8809 8810 8811 8812 8813 8814 8815 8816 8817 8818 Profile Name Pulp and Paper Mills - Kraft Pulp Deckers Pulp and Paper Mills - Batch Kraft Digester Relief Gases Pulp and Paper Mills - Continuous Kraft Digester Relief Gases Pulp and Paper Mills - Batch Kraft Digester Blow Gases Pulp and Paper Mills - Continuous Kraft Digester Blow Gases Pulp and Paper Mills - Batch Digester Kraft Pulp Mill Evaporator Gases Pulp and Paper Mills - Continuous Digester Kraft Pulp Mill Evaporator Gases Pulp and Paper Mills - Kraft Pulp Mill Stripper Gases Pulp and Paper Mills - Kraft Pulp Mill LVHC NCGs - Batch Digester and Evaporator Gases Only Pulp and Paper Mills - Kraft Pulp Mill LVHC NCGs - Continuous Digester and Evaporator Gases Only Pulp and Paper Mills - Kraft Batch Digester Fill Exhaust Gases Pulp and Paper Mills - Kraft NCG Thermal Oxidizers Pulp and Paper Mills - Weak Black Liquor Storage Tanks Pulp and Paper Mills - Strong Black Liquor Storage Tanks Pulp and Paper Mills - White and Green Liquor Storage Tanks Pulp and Paper Mills - Unbleached Kraft Pulp Storage Tanks Pulp and Paper Mills - Kraft Black Liquor Oxidation Tank Vents Pulp and Paper Mills - Kraft DCE Recovery Furnaces Pulp and Paper Mills - Kraft NDCE Recovery Furnaces Pulp and Paper Mills - Sulfite Recovery Furnaces Pulp and Paper Mills - Kraft Lime Kilns Pulp and Paper Mills - Kraft Smelt Dissolving Tanks Pulp and Paper Mills - Kraft Tall Oil Reactors Pulp and Paper Mills - Kraft Paper Machines and Pulp Dryers - Unbleached Linerboard Paper Machine Pulp and Paper Mills - Kraft Paper Machines and Pulp Dryers - Bleached Paper Machine & Pulp Dryer Pulp and Paper Mills - Wood-Fired Boilers Pulp and Paper Mills - Secondary Fiber Furnish Paper Machines Pulp and Paper Mills - Virgin Mechanical and Chemical Pulp Furnish Paper Machines Pulp and Paper Mills - Deinking (with Bleaching) Operations Pulp and Paper Mills - Mechanical Pulping Source Emissions - Thermomechanical Pulping Profile Type NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG NMOG Note 12 ------- Profile Number 8819 8820 8827 8828 8829 8830 8831 8832 8833 8834 8835 8836 8837 8838 8839 8840 8841 8842 8843 8844 8845 8846 8847 8848 8849 8850 8851 8852 8853 8854 Profile Name Pulp and Paper Mills - Mechanical Pulping Source Emissions - Pressurized Groundwood Pulp and Paper Mills - Mechanical Pulping Source Emissions - Stone Groundwood 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 7 RVP 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 9 RVP 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol - Combined 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 7 RVP 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 9 RVP 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol - Combined Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 7 RVP Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol at 9 RVP Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 20% Ethanol - Combined 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 7 RVP 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 9 RVP 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol - Combined 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 7 RVP 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 10 RVP 86°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol - Combined 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 7 RVP 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 9 RVP 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol - Combined 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 7 RVP 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 10 RVP 105°F Static Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol - Combined Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 7 RVP Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol at 9 RVP Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 0% Ethanol - Combined Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 7 RVP Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol at 10 RVP Dynamic Permeation Evaporative Emissions from Gasoline Vehicles using 10% Ethanol - Combined Gasoline Exhaust - Tier 2 light-duty vehicles using 20% Ethanol - Composite Profile Profile Type NMOG NMOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG TOG Note 13 ------- Profile Number 8855 8856 8857 8858 8859 8860 8861 8862 Profile Name Gasoline Exhaust - Tier 2 light-duty vehicles using 85% Ethanol - Composite Profile Liquefied Petroleum Gas (LPG) Composition Light Duty Vehicle Exhaust - Liquefied Petroleum Gas (LPG) - Test ID 1 Light Duty Vehicle Exhaust - Liquefied Petroleum Gas (LPG) - Test ID 2 Light Duty Vehicle Exhaust - Liquefied Petroleum Gas (LPG) - Test ID 3 Light Duty Vehicle Exhaust - Liquefied Petroleum Gas (LPG) - Average Olefins manufacturing (ethylene and propylene, SIC 2869) - Composite Profile Petroleum Refining (SIC 2911) - Composite Profile Profile Type TOG TOG TOG TOG TOG TOG VOC VOC Note 14 ------- Table 2. Summary of New PM Profiles Appended to SPECIATE 4.3 Database Profile Number 5566 5567 5568 5569 5570 5571 5572 5573 5574 5575 5576 5577 5578 5579 5580 5581 5582 5583 5584 5585 5586 5587 5588 5589 5590 5591 5592 5593 Profile Name Light Duty Vehicle Exhaust - Gasoline - Test ID: S1-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S1-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S2-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S3-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S3-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S4-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S4-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S5-5 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S6-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: S7-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: S8-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: S8-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: S8-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W1-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W1-2 Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test 15 ------- Profile Number 5594 5595 5596 5597 5598 5599 5600 5601 5602 5603 5604 5605 5606 5607 5608 5609 5610 5611 5612 5613 5614 5615 5616 5617 5644 5646 5648 5669 5670 5671 Profile Name Light Duty Vehicle Exhaust - Gasoline - Test ID: W1-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W2-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W2-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W2-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W3-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W3-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W3-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W4-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W4-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W4-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W5-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W5-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W5-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W6-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W6-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W6-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W6-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: W7-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W7-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W7-3 Light Duty Vehicle Exhaust - Gasoline - Test ID: W7-4 Light Duty Vehicle Exhaust - Gasoline - Test ID: W8-1 Light Duty Vehicle Exhaust - Gasoline - Test ID: W8-2 Light Duty Vehicle Exhaust - Gasoline - Test ID: W8-3 Residential Oil Boilers Residual Oil-Fired Power Plant Kraft Process Recovery Boiler Gas-Fired Boilers Gas-Fired Process Heaters Gas-Fired Combined Cycle and Cogeneration Plants Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test Individual test 16 ------- Profile Number 5672 5673 5674 5675 5676 5679 5680 5681 5682 5683 8821 8822 8823 8824 8825 8826 91100 91101 91102 91103 91104 91105 91106 91107 91108 91109 91110 91111 91112 91113 Profile Name Oil-Fired Boilers Diesel Engines Marine Vessel - Main Engine - Heavy Fuel Oil Marine Vessel - Auxiliary Engine - Marine Gas Oil Marine Vessel - Auxiliary Boiler - Heavy Fuel Oil Diesel Exhaust - Heavy-heavy duty truck - 2007 model year Diesel Exhaust - Heavy-heavy duty truck - 2007 model year Marine Vessel - Main Propulsion Engine - Heavy Fuel Oil Bituminous Coal-Fired Power Plant Construction Dust Pulp and Paper Mills - Kraft DCE Recovery Furnaces Pulp and Paper Mills - Kraft NDCE Recovery Furnaces Pulp and Paper Mills - Sulfite Recovery Furnaces Pulp and Paper Mills - Kraft Lime Kilns with ESPs Pulp and Paper Mills - Kraft Lime Kilns with Wet Scrubbers Pulp and Paper Mills - Kraft Smelt Dissolving Tanks Unpaved Road Dust - Composite Agricultural Soil - Composite Wildfires - Composite Agricultural Burning - Composite Bituminous Combustion - Composite Residential Wood Combustion - Composite HDDV Exhaust - Composite Construction Dust - Composite Paved Road Dust - Composite Prescribed Burning - Composite Sub-Bituminous Combustion - Composite Sand & Gravel - Composite Natural Gas Combustion - Composite Nonroad Gasoline Exhaust - Composite Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note 17 ------- Profile Number 91114 91115 91116 91117 91118 91119 91120 91121 91122 91123 91124 91125 91126 91127 91128 91129 91130 91131 91132 91133 91134 91135 91136 91137 91138 91139 91140 91141 91142 91143 Profile Name Wood Fired Boiler - Composite Distillate Oil Combustion - Composite Charbroiling - Composite Residual Oil Combustion - Composite Dairy Soil - Composite Kraft Recovery Furnace - Composite Mineral Products - Avg - Composite Industrial Manufacturing - Avg - Composite Onroad Gasoline Exhaust - Composite Heat Treating - Composite Chemical Manufacturing - Avg - Composite Lignite Combustion - Composite Solid Waste Combustion - Composite Cement Production - Composite Wood Products - Drying - Composite Surface Coating - Composite Food & Ag - Handling - Composite Wood Products-Sawing - Composite Aluminum Processing - Composite Open Hearth Furnace - Composite Brake Lining Dust - Composite Meat Frying - Composite Process Gas Combustion - Composite Aluminum Production - Composite Lime Kiln - Composite Sintering Furnace - Composite Charcoal Manufacturing - Composite Catalytic Cracking - Composite Fiberglass Manufacturing - Composite Glass Furnace - Composite Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note 18 ------- Profile Number 91144 91145 91146 91147 91148 91149 91150 91151 91152 91153 91154 91155 91156 91157 91158 91159 91160 91161 91162 91163 91164 91165 91166 91167 91168 91169 91170 91171 91172 91173 Profile Name Pulp & Paper Mills - Composite Petroleum Industry - Avg - Composite Slash Burning - Composite Misc. Sources - Composite Asphalt Roofing - Composite Inorganic Chemical Manufacturing - Composite Tire Dust - Composite Ferromanganese Furnace - Composite Wood Products - Sanding - Composite Electric Arc Furnace - Composite Food & Ag-Drying - Composite Residential Coal Combustion - Composite Residential Natural Gas Combustion - Composite Cast Iron Cupola - Composite Copper Processing - Composite Asphalt Manufacturing - Composite Fly Ash - Composite Sandblast - Composite LDDV Exhaust - Composite Ammonium Nitrate Production - Composite Limestone Dust - Composite Phosphate Manufacturing - Composite Gypsum Manufacturing - Composite Urea Fertilizer - Composite Lead Processing - Composite Crustal Material - Composite Copper Production - Composite Brick Grinding and Screening - Composite Calcium Carbide Furnace - Composite Coke Calciner - Composite Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note 19 ------- Profile Number 91174 91175 91176 91177 91178 91179 91180 91181 91182 91183 92095 92100 92101 92102 92103 92104 92105 92106 92107 92108 92109 92110 92111 92112 92113 92114 92115 92116 92117 92118 Profile Name Industrial Soil - Composite Potato Deep Frying - Composite Sea Salt - Composite Sludge Combustion - Composite Lead Production - Composite Steel Desulfurization - Composite Auto Body Shredding - Composite Ammonium Sulfate Production - Composite Inorganic Fertilizer - Composite Boric Acid Manufacturing - Composite Draft Bituminous Coal Combustion - Simplified Unpaved Road Dust - Simplified Agricultural Soil - Simplified Wildfires - Simplified Agricultural Burning - Simplified Bituminous Coal Combustion - Simplified Residential Wood Combustion - Simplified HDDV Exhaust - Simplified Construction Dust - Simplified Paved Road Dust - Simplified Prescribed Burning - Simplified Sub-Bituminous Combustion - Simplified Sand & Gravel - Simplified Natural Gas Combustion - Simplified Nonroad Gasoline Exhaust - Simplified Wood Fired Boiler - Simplified Distillate Oil Combustion - Simplified Charbroiling - Simplified Residual Oil Combustion - Simplified Dairy Soil - Simplified Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note 20 ------- Profile Number 92119 92120 92121 92122 92123 92124 92125 92126 92127 92128 92129 92130 92131 92132 92133 92134 92135 92136 92137 92138 92139 92140 92141 92142 92143 92144 92145 92146 92147 92148 Profile Name Kraft Recovery Furnace - Simplified Mineral Products - Avg - Simplified Industrial Manufacturing - Avg - Simplified Onroad Gasoline Exhaust - Simplified Heat Treating - Simplified Chemical Manufacturing - Avg - Simplified Lignite Combustion - Simplified Solid Waste Combustion - Simplified Cement Production - Simplified Wood Products - Drying - Simplified Surface Coating - Simplified Food & Ag - Handling - Simplified Wood Products - Sawing - Simplified Aluminum Processing - Simplified Open Hearth Furnace - Simplified Brake Lining Dust - Simplified Meat Frying - Simplified Process Gas Combustion - Simplified Aluminum Production - Simplified Lime Kiln - Simplified Sintering Furnace - Simplified Charcoal Manufacturing - Simplified Catalytic Cracking - Simplified Fiberglass Manufacturing - Simplified Glass Furnace - Simplified Pulp & Paper Mills - Simplified Petroleum Industry - Avg - Simplified Slash Burning - Simplified Misc. Sources - Simplified Asphalt Roofing - Simplified Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note 21 ------- Profile Number 92149 92150 92151 92152 92153 92154 92155 92156 92157 92158 92159 92160 92161 92162 92163 92164 92165 92166 92167 92168 92169 92170 92171 92172 92173 92174 92175 92176 92177 92178 Profile Name Inorganic Chemical Manufacturing - Simplified Tire Dust - Simplified Ferromanganese Furnace - Simplified Wood Products - Sanding - Simplified Electric Arc Furnace - Simplified Food & Ag-Drying - Simplified Residential Coal Combustion - Simplified Residential Natural Gas Combustion - Simplified Cast Iron Cupola - Simplified Copper Processing - Simplified Asphalt Manufacturing - Simplified Fly Ash - Simplified Sandblast - Simplified LDDV Exhaust - Simplified Ammonium Nitrate Production - Simplified Limestone Dust - Simplified Phosphate Manufacturing - Simplified Gypsum Manufacturing - Simplified Urea Fertilizer- Simplified Lead Processing - Simplified Crustal Material - Simplified Copper Production - Simplified Brick Grinding and Screening - Simplified Calcium Carbide Furnace - Simplified Coke Calciner- Simplified Industrial Soil - Simplified Potato Deep Frying - Simplified Sea Salt - Simplified Sludge Combustion - Simplified Lead Production - Simplified Profile Type PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM PM Note 22 ------- Profile Number 92179 92180 92181 92182 92183 92200 Profile Name Steel Desulfurization - Simplified Auto Body Shredding - Simplified Ammonium Sulfate Production - Simplified Inorganic Fertilizer - Simplified Boric Acid Manufacturing - Simplified Marine Vessel - Auxiliary Boiler - Heavy Fuel Oil - Simplified Profile Type PM PM PM PM PM PM Note 23 ------- Table 3. Summary of New Speciated Mercury Profiles Appended to SPECIATE 4.3 Database Profile Number 6318 6327 6319 6320 6321 6322 6323 6324 6325 6326 Profile Name Bituminous Coal-Fired Power Plant Waste Disposal Coal Combustion - Power Plants Coal Combustion - Residential Heat Oil Combustion Cement Production Non-Ferrous Metals - Lead Non-Ferrous Metals - Zinc Pig and Iron Caustic Soda Profile Type Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury Speciated Mercury 24 ------- Table 4. Summary of New Chemical Species Appended to SPECIATE 4.3 Database Species ID 2663 2664 2665 2666 2667 2668 2669 2670 2671 2672 2673 2674 2675 2676 2677 2678 2679 2680 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 CAS Number 14331-85-2 7440-52-0 7440-06-4 1560-86-7 6418-45-7 7732-18-5 18540-29-9 1072-05-5;2040-96-2 13269-52-8; 1120-62-3 2738-19-4;7642-10-6 3899-36-3; 14686-13-6 591-49-1;589-53-7 109-67-1;503-17-3 110-83-8;589-34-4 107-39-1; 10574-37-5 691-38-3; 107-83-5 3074-71-3;3221-61-2 2207-03-6; 624-29-3 300-57-2 2198-23-4 7439-88-5 513-86-0 513-85-9 98-01-1 Chemical Name Protactinium Erbium Platinum 2-methylnonadecane 3-methylnonadecane Particulate Water Non-Carbon Organic Matter (see Note 1 below) Metal-bound Oxygen (see Note 2 below) Other Unspeciated PM2.5 (see Note 3 below) Chromium(VI) 2,6-dimethylheptane, propylcyclopentane Trans-3-hexene; 3-methylcyclopentene 2-methyl-2-hexene; cis-3-heptene 3-methyl-trans-3-hexene; Trans-2-heptene 1 -methylcyclohexene; 4-methylheptane 1-pentene; 2-butyne Cyclohexene; 3-methylhexane 2,4,4-trimethyl-1 -pentene; 2,3-dimethyl-2-pentene 4-methyl-cis-2-pentene; 2-methylpentane (isohexane) 2,3-dimethylheptane; 2-methyloctane Trans-1 ,3-dimethylcyclohexane; Cis-1 ,4-dimethylcyclohexane Allyl benzene 4-nonene Iridium Hydrated sulfate (see Note 4 below) 3-Hydroxy-2-butanone 2,3-Butanediol 2-Furancarboxaldehyde (or Furfural) 25 ------- Species ID 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700 2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2711 2712 2713 2714 CAS Number 50-21-5 624-92-0 156-59-2 88-06-2 51-28-5 121-14-2 88-75-5 13466-78-9 534-52-1 100-02-7 39638-32-9 95-57-8 2051-24-3 25512-42-9 117-84-0 35065-27-1 77-47-4 32598-14-4 87-86-5 26914-33-0 38444-78-9 99-85-4 110-71-4 13389-42-9;6876-23-9 Chemical Name Lactic acid Dimethyl Disulfide 1,2-Dichloroethene 2,4,6-Trichlorophenol 2,4-Dinitrophenol 2,4-Dinitrotoluene 2-Nitrophenol (o-Nitrophenol) 3-Carene 4,6-Dinitro-o-cresol 4-Nitrophenol Bis(2-chloroisopropyl) ether 2-Chlorophenol Decachlorobiphenyl Dichlorobiphenyl Di-n-octyl phthalate 2,2',4,4',5,5'-Hexachlorobiphenyl Hexachlorocyclopentadiene 2,3,3',4,4'-Pentachlorobiphenyl Pentachlorophenol Tetrachlorobiphenyl 2,2',3-Trichlorobiphenyl Gamma-Terpinene 1 ,2-Dimethoxyethane Trans-2-octene; Trans-1 ,2-dimethylcyclohexane Note: 1. Non-Carbon Organic Matter is calculated for each source category by multiplying OC emissions by a source-category specific OM/OC (OM = organic matter) ratio to calculate an OM emission, and subtracting OC from OM. PNCOM = POC*(OM/OC Ratio - 1) where POC is from each profile and OM/OC ratio is based on the "Supporting information for: Emissions Inventory of PM2:5 Trace Elements across the United States", By Adam Reff, Prakash V. Bhave, Heather Simon, Thompson G. Pace, 26 ------- George A.Pouliot, J. David Mobley, and Marc Houyoux (http://www.epa.gov/AMD/peer/products/Reff_ES&T2008_supportInfo.pdf), e.g., 1.25 for on/off-road motor vehicle exhaus, 1.7 for wood combustion, 1.4 for other sources including marine vessel engines. 2. Metal-bound oxygen (MO) is calculated by multiplying most of the trace elemental emissions by an oxygen-to-metal ratio. These ratios were based on the expected oxidation states of the metals in the atmosphere. Calculation details provided in supporting information of Adam Reff, Prakash V. Bhave, Heather Simon, Thompson G. Pace, George A.Pouliot, J. David Mobley, and Marc Houyoux (http://www.epa.gov/AMD/peer/products/Reff_ES&T2008_supportInfo.pdf). 3. Other Unspeciated PM2.5 is calculated by subtracting the sum of speciated compounds in a profile from 100% of PM2.5 mass. 4. A ratio of 6.5 H2O molecules to a H2SO4 molecule is used to calculate hydrated sulfate, because it represents the lowest energy state for a sulfate water complex. (Comprehensive Simultaneous Shipboard and Airborne Characterization of Exhaust from a Modern Container Ship at Sea, Cocker, Murphy et al, ES&T, VOL. 43, NO. 13, 2009, pp. 4626-4640) 27 ------- |