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
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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.
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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
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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
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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.
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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
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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.
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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.
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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.
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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
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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
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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
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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
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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
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