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
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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.
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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
Souad Benromdhane
OAR/OAQPS
HEID
Health Benefits of Air Quality
Management
Richard Cook
OAR/OTAQ
NVFEL
Mobile Source Air Toxics
Ingrid George
ORD/NRMRL
APPCD
Emission Source Testing and
Black Carbon
Beth Hassett-Sipple
ORD/IOAA
NPD (ACE)
Air Pollution Research
Management
Michael Hays
ORD/NRMRL
APPCD
Emission Source Testing
Brooke Hemming
ORD/NCEA
NCEA-RTP
Climate Change and Black
Carbon
Amara Holder
ORD/NRMRL
APPCD
Emission Source Testing and
Black Carbon
Sue Kimbrough
ORD/NRMRL
APPCD
Emission Source Testing
Michael Kosusko
ORD/NRMRL
APPCD
Air Pollution Control, Project
Management
Deborah Luecken
ORD/NERL
CED
Gas-phase Chemistry
Rebecca Matichuk
EPA REGION 8
OPRA
Fugitive Source Emissions
Inventories
George Pouliot
ORD/NERL
CED
Emissions Modeling
(Inventories and Platforms)
H aval a Pye
ORD/NERL
CED
Secondary Organic Aerosol
Modeling
Venkatesh Rao
OAR/OAQPS
AQAD
Biomass Burning and Black
Carbon Inventory
Lee Riddick
ORD/NERL
SED
Air Pollution Research
Management
Heather Simon
OAR/OAQPS
AQAD
Air Quality Modeling
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SPECIATE WORKGROUP MEMBERSHIP, August 2016
NAME
EPA OFFICE
EPA DIVISION
EXPERTISE/SPECIALIZATION
Darrell Sonntag
OAR/OTAQ
ASD
Mobile Source Emissions and
Air Quality Modeling
Madeleine Strum
OAR/OAQPS
AQAD
National Emissions Inventory
Eben Thoma
ORD/NRMRL
APPCD
Emission Source Testing
Catherine Yanca
OAR/OTAQ
ASD
Mobile Source Emissions and
Air Quality Modeling
Tiffany Yelverton
ORD/NRMRL
APPCD
Air Pollution Control,
Combustion, and Black Carbon
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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
N. Molecular Weights 38
O. Quality Assurance Project Plan 38
P. Protocol for Revising Speciation Profiles in a Published Version of the SPECIATE
Database 38
CHAPTER V. Source Profile Preparation Methods 40
CHAPTER VI. References 42
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APPENDIX A. LISTING OF NEW PROFILES ADDED TO THE SPECIATE 4.5
DATABASE A-l
APPENDIX B. PROTOCOL FOR EXPANSION OF SPECIATE DATABASE B-l
APPENDIX C. SPECIATION PROFILES FOR EXAMPLE MIXTURES C-l
APPENDIX D. SEMI-VOLATILE ORGANIC COMPOUND PARTITIONING
FACTORS AND METHODOLOGY APPLIED TO PREPARE
MOBILE SOURCE EXHAUST PROFILES IN THE SPECIATE
DATABASE D-l
Table 1. Descriptive Data Dictionary 8
Table 2. Overall Objective Profile Quality Ratings 16
Table 3. Profile Counts by J-rating in the SPECIATE 4.5 Database 17
Table 4. Profile #2425 for Surface Coatings - General 26
Table 5. Assumed Oxide Forms of Each Metal and Resulting Mean Oxygen-to-Metal Ratio
Used to Calculate the Emissions of Metal-Bound Oxygen 29
Table 6. PM Composite Profiles Carried Forward into the SPECIATE 4.5 Database 34
Table A-l. List of New Organic Gas Profiles Added to the SPECIATE 4.5 Database A-2
Table A-2. Summary of New PM Profiles Added to the SPECIATE 4.5 Database A-13
Table C-l. SPECIATE Profile #3141 for Mineral Spirits C-l
Table C-2. SPECIATE Profile #4439 for Xylene Mixtures C-5
Table D-l. Average Emission Rates ([j,g/km) and Distribution of Organic Species in Medium
Duty Diesel Truck Exhaust D-4
Figure 1. SPECIATE 4.5 Data Diagram 7
Figure 2. Distribution of Profile J-ratings in SPECIATE 4.5 18
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Acronyms and Abbreviations
AAAR American Association for Aerosol Research
ACE Air, Climate and Energy Program
ACS American Chemical Society
AMAD Atmospheric Modeling and Analysis Division, EPA
APPCD Air Pollution Prevention and Control Division, EPA
AQAD Air Quality Assessment Division, EPA
ASD Assessment and Standards Division, EPA
CARB California Air Resources Board
CAS Chemical Abstracts Service
CED Community & Ecosystem Division
CMAQ EPA Models-3 Community Multi-scale Air Quality Modeling System
CMB chemical mass balance
CRC Coordinating Research Council
DOE Department of Energy
DRI Desert Research Institute
EC elemental carbon
ERMD Emissions Research and Measurement Division (Environment Canada)
EPA Environmental Protection Agency
EPHD Environmental Public Health Division, EPA
ES&T Environmental Science and Technology
FID flame ionization detector
GC gas chromatography
GHG greenhouse gas
HDDV heavy-duty diesel vehicle
HEASD Human Exposure and Atmospheric Sciences Division, EPA
HEID Health and Environmental Impacts Division, EPA
HPLC high performance liquid chromatography
ID identification
10 immediate office
10AA Immediate Office of the Assistant Administrator, EPA
ITN internal tracking number
kg kilogram
km kilometer
LDDV light-duty diesel vehicle
mg milligram
MO metal-bound oxygen
MTBE methyl t-butyl ether
MW molecular weight
NAICS North American Industry Classification System
NCEA National Center for Environmental Assessment, EPA
NEI National Emissions Inventory
NERL National Exposure Research Laboratory, EPA
NHEERL National Health and Environmental Effects Research Laboratory, EPA
NMHC non-methane hydrocarbons
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NMOG
non-methane organic gas
NPD
National Program Director
NPRI
National Pollutant Release Inventory (Environment Canada)
NREL
National Renewable Energy Laboratory
NRMRL
National Risk Management Research Laboratory, EPA
NVFEL
National Vehicle and Fuel Emissions Laboratory
OAQPS
Office of Air Quality Planning and Standards, EPA
OAR
Office of Air and Radiation, EPA
OC
organic carbon
OEP
Office of Ecosystem Protection, EPA Region 1
OM
organic matter
OPRA
Office of Partnerships and Regulatory Assistance
ORD
Office of Research and Development, EPA
OTAQ
Office of Transportation and Air Quality, EPA
PAHs
polycyclic aromatic hydrocarbons
PAMS
photochemical assessment monitoring station
PM
particulate matter
PM10
particulate matter with an aerodynamic diameter <10 micrometers
PM2.5
particulate matter with an aerodynamic diameter < 2.5 micrometers
PNCOM
particulate non-carbon organic matter
RFG
reformulated gasoline
RPCS
Research Planning and Coordination Staff, EPA
RTP
Research Triangle Park
SAROAD
Storage and Retrieval of Aerometric Data
SIC
Standard Industrial Classification
SPPD
Sector Policies and Programs Division, EPA
SRS
Substance Registry System
SVOC
semi-volatile organic compounds
TAME
t-amylmethyl ether
TAP
toxic air pollutant
TC
total carbon
TCEQ
Texas Commission on Environmental Quality
THC
total hydrocarbon
TOG
total organic gases
TOR
thermal optical reflectance
TOT
thermal optical transmission
UV
ultraviolet-visible
VOC
volatile organic compounds
WAM
Work Assignment Manager
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CHAPTER I. Introduction
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 (Simon et al., 2010). A speciation profile
outlines the chemical composition of an emission source in weight percent of PM or volatile organic gas.
Speciation data are developed through source testing by laboratories and research institutes, and are often
published in journal articles. Each profile in SPECIATE is supplemented with metadata to document the
source of data. There are instances where multiple profiles are available for the same source type. In these
cases, the Workgroup develops composite profiles to better represent the emission source compositions (see
Chapter IV, Section M for a description of composite profiles).
Some of the many uses of these emission 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).
The primary purpose of this project is to update the SPECIATE database to capture recent and scientifically-
meritorious VOC, TOG, and PM speciation profile data available from EPA, state agencies, peer-reviewed
literature and other relevant data sources. Recent SPECIATE databases (i.e., versions 4.0, 4.1, 4.2, 4.3, 4.4,
and 4.5) allow for storage of important information underlying each profile (metadata such as sampling and
analysis methods, normalization procedures, overall subjective profile quality ratings, etc.).
The SPECIATE Workgroup (Workgroup) consists of EPA and Abt Associates, Inc. staff, university
researchers, receptor/photochemical/dispersion modelers, emission inventory developers, and government
agency staff. Members of the Workgroup contribute and/or gather data, and provide recommendations as to
which specific speciation profiles should be added to the database.
The SPECIATE 3.2 database, which was released in 2002, contained profiles that are the result of testing
and/or studies conducted in the 1980s, and in some cases, the 1970s. EPA released an updated SPECIATE
database version 4.0 in November 2006 to capture more recent VOC and PM speciation profiles developed by
EPA staff and other researchers. Since the release of SPECIATE 4.0, there have been numerous new profiles
added to the database, resulting in SPECIATE versions 4.1, 4.2, 4.3, 4.4, and 4.5. The purpose of this report is
to document the updates that EPA applied to SPECIATE 4.4 (see hyperlink below) to generate the SPECIATE
4.5 database and to describe additional work that could be performed to further improve the database. Copies
of the SPECIATE 4.5 database can be obtained from the EPA Project Manager, Mr. Michael Kosusko
(kosusko.mike@epa.gov) or downloaded from the EPA
website: https://www3.epa.gov/ttn/chief/software/speciate/index.html.
The following is an overview of the SPECIATE 4.x versions:
SPECIATE 4.0 (2006) included a total of 4,080 PM and organic gas profiles (2,009 new profiles and 2,071
profiles carried forward from SPECIATE 3.2). SPECIATE 4.0 also included 1,360 new PM profiles (of which
95 are simplified profiles and 47 are composite profiles) and 649 organic gas profiles (of which 11 are
composite profiles). The SPECIATE 4.1 database, which was never officially published by EPA, included a
total of 4,180 PM and organic gas profiles (with 4,080 carried forward from SPECIATE 4.0). The primary
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Final Report
update to the SPECIATE 4.1 database was the addition of 100 VOC profiles obtained from Environment
Canada's National Pollutant Release Inventory (NPRI) database.
SPECIATE 4.2 (2008) included an additional 408 VOC profiles and 462 PM profiles. EPA changed the
structure of the SPECIATE 4.2 database by adding a new category called Other Gases. This category contains
speciated mercury, nitrogen oxides, and semi-volatile organic compounds (SVOC) which do not fall into VOC
or PM profile categories. There are 237 Other Gases profiles incorporated into SPECIATE 4.2. The
SPECIATE 4.2 database and later versions also contain a new table titled "SVOC Splitting Factors", which
provides suggested SVOC partitioning factors in PM and gaseous phases based on a Schauer et al. study (1999;
see memorandum in Appendix D for more details). Note that the partitioning factor of each SVOC species is
not universal, but dependent on sampling conditions (e.g., temperature and pressure).
SPECIATE 4.3 (2011) added an additional 151 volatile organic gas (including TOG and VOC) profiles, 244
PM profiles, and 10 speciated mercury profiles. The majority of the 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, the pulp and paper industry, and several other stationary sources. Additionally, numerous profiles
were added to support PM speciation compatibility with the AER06 aerosol module in the CMAQ
photochemical model (versions 5.0 and later). This model requires emissions of particulate non-carbon organic
material (PNCOM), particulate-bound water, ammonium, sodium, chloride and 8 trace metals as distinct
model species using the approach in Reff et al. (2009).
SPECIATE 4.4 (2014) includes comprehensive speciation of TOG profiles from oil and gas fugitive
emissions, gasoline vehicle exhaust, VOC emissions from the dairy industry (including silages, other
feedstuffs, and animal waste), gasoline vapor from enclosed fuel tanks, PM profiles from the Kansas City
Light-Duty Vehicle Emissions Study (EPA, 2008), outdoor wood boiler aerosol emissions, and commercial
aircraft jet engine PM emission profiles. In total, there were an additional 104 volatile organic gas profiles and
32 PM profiles included in the SPECIATE 4.4 database.
The SPECIATE 4.5 (2016) database focuses on the incorporation of individual and composite volatile
organic gas and PM profiles from the oil and natural gas sector, motor vehicle exhaust, biomass combustion,
waste incineration, and tire and break wear emissions.
As of September 2016, the initiative to update SPECIATE to version 4.5 has produced:
• Additional "model-ready"1 PM profiles following the method described in Reff et al. (2009);
• VOC-to-TOG conversion factors for applicable gas profiles;
• Suggested partitioning factors for SVOC compounds in gas and PM phases; and
• The SPECIATE 4.5 database with the following total number of profiles and unique species:
o 3,782 PM profiles;
o 2,175 organic gas profiles;
o 249 Other Gases profiles;
1 Model-ready PM profiles refer to PM profiles that are compatible with the requirements for CMAQ versions 5.0 and later
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Final Report
o 2,602 unique species; and
o Composite profiles for 85 (51 PM and 34 organic gas) source categories.
SPECIATE is expected to be an ongoing project that supports Agency research, regulation development and
enforcement. The Workgroup has identified and prioritized numerous datasets for which profiles will be
developed and added to future versions of SPECIATE. Comments and questions based on review of the
database and documentation are welcome and may be directed to Mr. Michael Kosusko
(kosusko.mike@epa.gov) or Dr. Madeleine Strum (Strum.Madeleine@epa.gov).
The remainder of this report discusses the structure and use of the SPECIATE 4.5 database in Chapter II, and
then details the development of the profiles and supporting tables in Chapter III. Comments on the use of the
profiles appear in Chapter IV and Chapter V briefly discusses source profile preparation methods. Chapter VI
provides the references for this report. Tables A-l and A-2 of Appendix A provide a summary of the organic
gas and PM profiles in the SPECIATE 4.5 database, respectively. Appendix B provides a protocol for
preparing profiles for the future versions of the SPECIATE database. Appendix C provides speciation profiles
for unresolved mixtures of compounds listed as a single species. Appendix D provides SVOC partitioning
factors and the methodology applied to prepare mobile source exhaust profiles in the SPECIATE database.
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CHAPTER II. SPECIATE Database
This chapter describes the organization of the SPECIATE 4.5 database. This includes subsections on the use
of the database, the data dictionary, overall subjective profile quality rating criteria, and profile identification
(ID) numbers.
A. Use of the Database
The SPECIATE 4.5 database is a data repository housed in a Microsoft Access® database file. In order to use
the SPECIATE 4.5 database, Microsoft Access® 2002 or above must be installed. The current SPECIATE
database and other relevant documentation can be downloaded from EPA's Clearinghouse for Inventories &
Emissions Factors website (https://www.epa.gov/air-emissions-modeling/speciate-version-44-through-32). To
facilitate inspection of the data by persons without detailed database manipulation skills, the queries
VIEWPMPROFILES and VIEWGASPROFILES have been added and are available on the Queries tab in
MS Access. The VIEW GAS PROFILES query links the GAS PROFILE, GAS SPECIE, and
SPECIEPROPERTIES tables together to allow the user to view all of the fields in these tables when the
query is run. The VIEW PM PROFILES query links the PMPROFILE, PM SPECIE, and
SPECIE PROPERTIES tables together to allow the user to view all of the fields in these tables when the
query is run.
B. Database Design
The SPECIATE 4.5 database design appears in Figure 1. The design is based on suggestions from the October
2002 meeting of the SPECIATE Expert Panel held at the American Association for Aerosol Research
conference in Charlotte, NC, as well as additional recommendations provided by EPA over the years.
PM profiles may be expressed over any PM size range (i.e., PM particle size ranges are not pre-determined).
This capability is provided through the upper- and lower- size limit fields in the PM PROFILE table. In
instances in which multiple profiles (arising from multiple size distributions) result from a single study, the
particle size range will be explicitly designated in the table. The SPECIATE 4.5 database can therefore
accommodate species size distributions for any range. Future studies that require more particle size resolution
can be accommodated, consistent with the expectations of future research.
Profiles for particulates, organic gases, and Other Gases continue to be housed in separate tables due to their
slight variance in database architecture. Other tables, such as SPECIE PROPERTIES and KEYWORD, are
common to organic gases, particulates, and other gases.
The data dictionary (see Table 1 and subsection C below) is intended to be general and not specific to any
particular database architecture. Accordingly, variance from the data dictionary expressions for some fields
(e.g., Logical versus Boolean) may occur. Fields such as T METHOD (sampling method) and
ANLYMETHOD (analytical method) contain character expressions representing the respective method
employed.
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Final Report
The profile tables include rating fields for profile vintage (V-rating), data sample size (D-rating), and expert
judgment (J-rating). The Overall Objective Profile Quality Rating is the product of the V-rating and D-rating
[see Chapter II.D (Profile Rating Criteria) for rationale regarding profile overall ratings].
The use of P NUMBER as the primary key for the profiles tables has been retained from the previous versions
of SPECIATE. This is the unique logical key when accessing common tables.
A REGION field is intended to house information on the geographic testing locale of certain profiles. For
example, the VOC profiles based on Environment Canada's NPRI database can be identified by two-letter
province abbreviations under the Region column in the Gas Profile table (e.g., BC stands for British Columbia)
or gas profile numbers 7100 -7199. NORM BASIS indicates the aggregation of species by which the profile
has been normalized [e.g., TOG, VOC, and PM with an aerodynamic diameter equal to or less than 10
micrometers (PMio)]. For the case where both a PM and GAS profile have been taken from the same study,
the SIBLING field is used to identify the associated profiles.
The fields UN CERT AINT, UNC METHOD, and ANLYMETHOD (see Table 1 and subsection C below) in
the species table store species-specific uncertainty values, uncertainty methods, and analytical methods,
respectively.
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Final Report
Figure 1. SPECIATE 4.5 Data Diagram
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Final Report
Table 1. Descriptive Data Dictionary
Field
Type Length Decimals Description
Primary
key
P_NUMBER
NAME
QUALITY
CONTROLS
P_DATE
NOTES
TOTAL
MASTER_POL
T_METHOD
NORM_BASIS
ORIG_COMPO
STANDARD
INCL_GAS
TEST_YEAR
J_RATING
V_RATING
D_RATING
REGION
LOWER_SIZE
UPPER SIZE
C
C
C
D
M
N
M
C
C
L
N
N
N
N
C
N
N
PM_PROFILE Table
10 PM Profile Number
255 PM Profile Name
3 Overall Objective Profile Quality Rating (A-E) of the profile (related to the
products of the V and D ratings, see Chapter II.D for an explanation)
100 Emission Controls Description
Date profile added (MM/DD/YYYY)
Notes
6 2 Sum of species percentages for a given profile, excluding organic species,
inorganic gases, and elemental sulfur in individual PM profiles (see Chapter
IV.G "Avoiding Double Counting Compounds" of this report for rationale).
5 Indicates the pollutant to be used in calculation. Allowed value: 'PM'. In the
future, other values may be allowed (e.g., PM_PRI, PM_FIL, PM_CON)
Description of sampling method
25 Description of how profile was normalized (see Chapter IV.F for details)
1 Specifies whether the profile is original or composite. Allowed values: 'C','0'
1 Indicates whether the profile is provided by EPA SPECIATE (standard) or user-
added. The database is constructed to allow users to add profiles.
1 Indicates whether or not the profile includes inorganic gas species (e.g., sulfur
dioxide, hydrogen sulfide, oxides of nitrogen, etc.)
4 0 Indicates year testing was conducted
4 2 Subjective expert judgment rating based on general merit (see Chapter II.D for
an explanation)
4 2 Vintage based on TEST_YEAR field (see Chapter II.D for an explanation)
4 2 Data sample size rating based on number of observations (see Chapter II.D for
an explanation)
50 geographic region of applicability
5 2 Identifies lower end of aerodynamic diameter particle size, micrometers
5 2 Identifies upper end of aerodynamic diameter particle size, micrometers
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Table 1 (continued)
Type1 Length* Decimals Description
Field
Foreign key SIBLING
Primary key
Foreign key
Foreign key
Primary key
Foreign key
Foreign key
Primary key
VERSION
SIMPLIFIED
ID
SPECIEJD
P_NUMBER
WEIGHT_PER
UNCERTAINT
UNC_METHOD
ANLYMETHOD
ID
P_TYPE
P_NUMBER
DATA_ORIGN
PRIMARY
DESCRIPTIO
DOCUMENT
P_NUMBER
NAME
QUALITY
CONTROLS
P_DATE
NOTES
C
L
N
N
C
N
N
C
C
N
C
C
C
M
M
C
C
C
C
D
M
10
10
1
9
9
10
7
7
25
50
9
1
10
50
10
255
3
100
GAS Profile number; samples taken from the same source and study, if
available.
SPECIATE database version that a profile was added to
Is the profile a PM Simplified Profile?
PM_SPECIE Table
0 Unique Identifier
0 Species Identifier (The same as ID in SPECIE_PROPERTIES)
PM Profile number (Link to PM_Profile Table)
3 Weight percent of pollutant (%)
3 Uncertainty percent of pollutant (%)
Description of method used to calculate uncertainty
Description of analytical method (e.g., X-ray fluorescence spectroscopy,
ion chromatography, etc.)
REFERENCE Table
0 Unique Identifier
Indicates PM or GAS. Allowed values: P (PM), G (Gas), Other gases
(Other Gases)
Profile number (Link to PM_PROFILE and GAS_PROFILE tables)
Source of data (e.g., EPA Air Pollution Prevention and Control Division
(APPCD), Schauer, CARB, DRI, NPRI, Literature)
Designates a reference as primary. When a profile is based on multiple
references, this field allows one reference to be tagged as the primary
reference.
Stores the descriptive information about the profile.
Complete reference citation.
GAS_PROFILE Table
GAS Profile Number
GAS Profile Name
Overall Objective Profile Quality Rating (A-E) of the profile (related to the
products of the V and D ratings, see Chapter II.D for an explanation)
Emission Controls Description
Date profile added (MM/DD/YYYY)
Notes
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Final Report
Table 1 (continued)
Type1 Length* Decimals Description
Field
Foreign key
Primary key
Foreign key
Foreign key
TOTAL
MASTER POL
T_METHOD
NORM_BASIS
ORIG_COMPO
STANDARD
TEST_YEAR
J_RATING
V_RATING
D_RATING
REGION
SIBLING
VERSION
VOCtoTOG
ID
SPECIEJD
P_NUMBER
WEIGHT_PER
UNCERTAINT
UNC_METHOD
ANLYMETHOD
N
C
M
C
C
N
N
N
N
C
C
C
N
N
N
C
N
N
C
C
6
4
25
1
1
4
4
4
4
50
10
10
7
9
9
10
6
7
25
50
GAS
2 Sum of organic gas species percentages for a given profile
Indicates the pollutant to be used in calculation. Allowed values: 'VOC',
'TOG'. When methane is not measured in a study, ethane, acetone and
other non-VOCs are removed from the profile and it is defined as a VOC
profile.
Description of sampling method
Description of how profile was normalized
Specifies whether the profile is original or composite. Allowed values:
'0','C'
Indicates whether the profile is provided by EPA SPECIATE (standard) or
user-added. The database is constructed to allow users to add profiles.
Indicates year testing was conducted
2 Subjective expert judgment rating based on general merit (see Chapter II.D
for an explanation)
2 Vintage based on TEST_YEAR field (see Chapter II.D for an explanation)
2 Data sample size rating based on number of observations (see Chapter
II.D for an explanation)
Geographic region of source
PM Profile number; samples taken from the same source and study, if
available.
SPECIATE database version to which profile was added
3 VOC to TOG conversion factor
.SPECIE Table
0 Unique Identifier
0 Species Identifier (Must be the same as ID in SPECIE_PROPERTIES)
GAS Profile Number (Link to GAS_PROFILE table)
2 Weight percent of pollutant (%)
3 Uncertainty percent of pollutant (%)
Description of method used to calculate uncertainty
Description of analytical method (e.g., gas chromatography (GC)/flame
ionization detector (FID), GC/mass spectrometer (MS), high performance
liquid chromatography (HPLC)/ultraviolet-visible (UV))
pg. 10
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Final Report
Table 1 (continued)
Type1 Length* Decimals Description
Field
Primary key
P_NUMBER
NAME
P TYPE
C
C
C
OTHER GASES PROFILE Table
10
255
25
Other Gases Profile Number
Other Gases Profile Name
Indicates Hg, SVOC, or NO/NQ2/HONO
Foreign key
Primary key
Foreign key
QUALITY
CONTROLS
P_DATE
NOTES
TOTAL
MASTER_POL
T_METHOD
NORM_BASIS
ORIG_COMPO
STANDARD
TEST_YEAR
J_RATING
V_RATING
D_RATING
REGION
LOWER_SIZE
UPPER_SIZE
SIBLING
VERSION
ID
SPECIE ID
C
D
M
N
C
M
C
C
L
N
N
N
N
C
N
N
C
C
N
N
100
6
5
25
1
1
4
4
4
4
50
5
5
10
10
9
9
Overall Objective Profile Quality Rating (A-E) of the profile (related to the
products of the V and D ratings, see Chapter II.D for an explanation)
Emission Controls Description
Date profile added (MM/DD/YYYY)
Notes
Sum of species percentages for a given profile
Indicates the pollutant to be used in the calculation.
Description of sampling method
Description of how profile was normalized (see Chapter IV.F for details)
Specifies whether the profile is original or composite. Allowed values: 'C','0'
Indicates whether the profile is provided by EPA SPECIATE (standard) or user-
added. The database is constructed to allow users to add profiles.
Indicates year testing was conducted
Subjective expert judgment rating based on general merit (see Chapter II.D for
an explanation)
Vintage based on TEST_YEAR field (see Chapter II.D for an explanation)
Data sample size rating based on number of observations (see Chapter II.D for
an explanation)
Geographic region of applicability
Identifies lower end of aerodynamic diameter particle size, micrometers
Identifies upper end of aerodynamic diameter particle size, micrometers
Profile number; samples taken from the same source and study, if available.
SPECIATE database version to which profile was added
OTHER GASES_SPECIE Table
0 Unique Identifier
0 Species Identifier (The same as ID in SPECIE_PROPERTIES)
0
2
2
2
2
2
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Final Report
Table 1 (continued)
Field
Type1
Length'1
Decimals
Description
Foreign key
P_NUMBER
C
10
Other Gases Profile number (Link to OTHER GASES_Profile Table)
ANLYMETHOD
C
50
Description of analytical method (e.g., GC/MS)
PHASE
c
50
Indicates emissions were measured for PM, gaseous, or both phases.
WEIGHT_PER
N
7
3
Weight percent of pollutant (%)
SPECIES EMISSION
N
7
3
Species emission rate
RATE
UNCERTAINT
N
7
3
Uncertainty percent of pollutant (%)
UNC METHOD
C
25
Description of method used to calculate uncertainty
PM EMISSION RATE
N
7
3
PM emission rate
VOC EMISSION RATE
N
7
3
VOC emission rate
OTHER EMISSION
N
7
3
Other normalization basis (emission rate) other than PM or VOC, e.g., NOx,
RATE
total Hg. Indicate pollutant, e.g., 5.3 (NOx), 3.6 (total Hg)
EMISSION RATE UNIT
C
25
Units, e.g., mg/mile, mg/cycle
KEYWORD Table
Primary key
ID
N
9
0
Unique Identifier
Foreign key
P_TYPE
C
1
Indicates PM or GAS. Allowed values: P, G
Foreign key
P_NUMBER
C
10
Profile Number (Link to PM_PROFILE and GAS_PROFILE Tables)
KEYWORD
C
255
Keyword describing profile
SPECIE_PROPERTIES Table
Primary key
ID
N
9
0
Unique Identifier (Link to PM_SPECIES and GAS_SPECIES tables)
CAS
C
50
Chemical Abstracts Service (CAS) number assigned to pollutant (with hyphens)
(blank if no CAS)
EPAJD
C
50
EPA Chemical Identifier; provided by EPA Substance Registry System (SRS)
for species without CAS numbers
SAROAD
C
5
Storage and Retrieval of Aerometric Data (SAROAD) code
PAMS
L
1
Is PAMS pollutant? (Yes or No)
HAPS
L
1
Is Hazardous Air Pollutant? (Yes or No)
NAME
C
255
Pollutant name
SYMBOL
C
9
Standard chemical abbreviation (provided by Eric Fujita, DRI)
SPEC_MW
N
6
2
Species molecular weight
NonVOCTOG
L
1
Is this species regarded as a volatile organic gas?
NOTE
C
250
Record notes
pg. 12
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Final Report
Table 1 (continued)
Type1 Length* Decimals Description
Field
SRS ID C
Molecular Formula C
Smiles Notation C
Primary key ID N
Foreign key P_TYPE C
Foreign key P_NUMBER C
DRI_PNUMBR C
MNEMONIC C
50 EPA Substance Registry System Chemical Identifier
50 Molecular formula
100 Smiles notation
MNEMONIC Table
9 0 Unique Identifier
1 Indicates PM or GAS. Allowed values: P (PM), G (Gas)
10 Profile number (Link to PM_PROFILE and GAS_PROFILE tables)
6 DRI profile number (Original DRI profile numbers)
60 Alphanumeric code unique to each profile. Used in CMB input files.
1 Field types. C: Character; D: Date; L: Logical; M: Memorandum; N: Numeric.
2 Length - number of characters allowed.
pg. 13
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Final Report
C. Data Dictionary
The SPECIATE 4.5 database is a Microsoft Access® relational database containing ten tables as described in
Table 1 and Figure 1.
• The PMPROFILE table includes, but is not limited to, profile number, name, notes on the profile, and
descriptive information about the profile such as sum of species, test method, and normalization basis.
Also incorporated in this table are the ratings including expert judgment, vintage, data sample size, and
overall objective profile quality rating. The use of the ratings is detailed in Chapter II.D of this report.
• PMSPECIE table includes the species identification number, the profile number associated with the
species, the percentage of the species in the profile, the uncertainty associated with the percentage
value, the method used to determine uncertainty, and a description of the analysis method used to
determine the species percentage in the profile.
• The REFERENCE table includes information that characterizes the reference documents associated
with the profiles, including whether or not a particular reference is the primary reference (thus
allowing multiple and unlimited references for any profile).
• The GASPROFILE table includes, but is not limited to, profile number, name, notes on the profile,
and descriptive information about the profile such as sum of species, test method, and normalization
basis. Also incorporated in this table are the ratings including expert judgment, vintage, data sample
size, and overall objective profile quality rating. The use of the ratings is detailed in Chapter II.D of
this report. The GAS PROFILE table contains Total Organic Gases (TOG), Non-Methane Organic
Gases (NMOG), Volatile Organic Compounds (VOC), and Non-Methane Hydrocarbons (NMHC)
profiles, depending on the available species and analytical methods. TOGs are compounds of carbon,
excluding carbon monoxide, carbon dioxide, carbonic acid, metallic carbides or carbonates, and
ammonium carbonate. VOCs contain similar compounds as TOGs, except VOCs exclude compounds
that have negligible photochemical reactivity (i.e., exempt compounds). The EPA definition of VOC
and a list of exempt organic gases are available at http://www.ecfr.gov/cgi-bin/text-
idx?SID=b77fdl7146a534c225c8557b5ed4a469&node=40:2.0.1.1.2.3.8. I&rgn=div8
Below are the relationships of TOG, VOC, NMOG, THC, and NMHC:
TOG = VOC + exempt compounds (e.g., methane, ethane, various chlorinated fluorocarbons,
acetone, perchloroethylene, volatile methyl siloxanes, etc.)
TOG means "compounds of carbon, excluding carbon monoxide, carbon dioxide, carbonic acid,
metallic carbides or carbonates, and ammonium carbonate." TOG includes all organic gas
compounds emitted to the atmosphere, including the low reactivity, or "exempt VOC"
compounds (e.g., methane, ethane, various chlorinated fluorocarbons, acetone,
perchloroethylene, volatile methyl siloxanes, etc.). TOG also includes low volatility or "low
vapor pressure" (LVP) organic compounds (e.g., some petroleum distillate mixtures). TOG
includes all organic compounds that can become airborne (through evaporation, sublimation, as
aerosols, etc.), excluding carbon monoxide, carbon dioxide, carbonic acid, metallic carbides or
carbonates, and ammonium carbonate.
pg. 14
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Final Report
VOC means any compound of carbon that participates in atmospheric photochemical reactions.
VOC excludes the mass of methane, ethane, acetone, carbon monoxide, carbon dioxide,
carbonic acid, metallic carbides or carbonates, and ammonium carbonate.
TOG = NMOG + methane
THC = NMHC + methane [contain only hydrocarbons (i.e., not oxygenated compounds like
aldehydes) due to gas chromatography-flame ionization detector (GC-FID)
measurement technique]
THC means organic compounds, as measured by a GC-FID. Notably, a FID does not accurately
measure all of the mass of oxygenated organic gas, which influences the abundances of specific
chemical compounds relative to the total in the measured organic compounds.
NMOG = NMHC + oxygenated compounds
• The GASSPECIE table includes the species identification number, the profile number associated with
the species, the percentage of the species in the profile, the uncertainty associated with the percentage
value, the method used to determine uncertainty, and a description of the analysis method used to
determine the species percentage in the profile.
• The Other GasesPROFILE table includes, but is not limited to, profile number, name, notes on the
profile, and descriptive information about the profile such as sum of species, test method, and
normalization basis. Also incorporated in this table are the ratings including expert judgment, vintage,
data quality, and overall subjective profile quality rating. The use of the ratings is detailed in Chapter
II.D of this report. The Other Gases Profiles are those that do not fit in the organic gas categories (TOG
or VOC). Examples of the Other Gases Profiles are nitrogen oxides (NO, NO2, HONO) and speciated
mercury (elemental and oxidized mercury).
• The Other Gases SPECIE table includes the species identification number, the profile number
associated with the species, the percentage or emission rate of the species in the profile, the uncertainty
associated with the percentage value, the method used to determine uncertainty, and a description of
the analysis method used to determine the species percentage or emission rate in the profile.
• The KEYWORD table includes descriptive keywords of profiles. This information can be used in
keyword-based searches for profiles.
• The SPECIEPROPERTIES table includes the identifying numbers associated with the compounds
that are species in the database, as well as other characteristic information such as molecular weight.
• The MNEMONIC table includes abbreviated profile names used in CMB receptor models.
pg. 15
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Final Report
D. Profile Rating Criteria
SPECIATE is a legacy application that the EPA and other environmental stakeholders have used for many
years. The new profiles added to SPECIATE 4.0 and later versions were developed based on datasets that
have become available since the release of SPECIATE 3.2, as described in Chapter III. This report subsection
explains rating criteria that the Workgroup developed for the new profiles added to SPECIATE 4.0 and later
versions. These ratings are meant to be used for comparing the new profiles relative to one another. In general,
the Workgroup believes it is useful to compare a rating based on the number of samples and vintage of the
data since profiles created from more tests may be more robust and newer data are more representative of
today's emission sources and ever improving measurement techniques. However, one should also consider the
J-rating (expert judgment) and NOTES field when selecting profiles for use in their particular application.
The profile ratings developed for the source profiles are based on the following criteria:
• V-rating (profile vintage) - the vintage of the profile which reflects measurement technology and
methodology. For profiles before year 1980, score = 1; 1980-1990, score = 2; 1991-2000, score = 3;
2001-2005, score = 4; and after year 2006, score = 5. These data are housed in the V_RATING field in
the PM and Gas profile tables.
• D-rating (Data sample size) - assigned a "1" (poor) to "4" (excellent) rating. This category is rated
based on the number of samples: # of samples >10, score = 4; 5-9 samples, score = 3; 3-4 samples and
composite samples, score = 2; 1-2 or unknown # of samples, score = 1. These data are housed in the
DRATING field in the PM and Gas profile tables.
• Overall Objective Profile Quality Rating - assigned a value of "A" (highest quality) to "E" (lowest
quality) to each non-legacy profile based on the "Quality Score " calculated as the "V-rating" x "D-
rating". Table 2 shows the range of quality scores that are mapped to each overall profile quality rating.
The overall subjective profile quality rating is found in the PM and Gas profile tables under the field
named QUALITY.
Table 2. Overall Objective Profile Quality Ratings
Profile Quality
Quality Score Ranges
A
17-20
B
13-16
C
9-12
D
5-8
E
<5
Note that ratings are not provided for the composite profiles since these profiles are developed by
combining data for two or more individual profiles that have different scores for the same rating
category (see Chapter IV Section M for the description of composite profiles). Also, ratings are not
provided for the simplified profiles. The user should refer to the ratings for the individual profiles used
to develop the composite and simplified profiles.
Legacy profiles originating from SPECIATE 3.2 do not have entries for VRATING or D RATING
(or J RATING shown below); however, they retain their legacy quality rating expressed numerically
pg. 16
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Final Report
(5 = highest quality, 1= lowest quality). The SPECIATE 3.2 documentation does not identify how the
quality ratings were selected.
• J-rciting (expert judgment) - assigned a "1" (poor) to "5" (excellent) rating based on the information
underlying each profile, including but not limited to:
o Profile composition compared with majority of other profiles of the same emission source;
o Relative ratios of species within the profile;
o Sum of the speciated mass fractions;
o Normalization basis (Profiles based on Sum of Species may have only targeted specific
compounds and may therefore not be complete.);
o Supporting documentation;
o Source of data (e.g. "good" peer-reviewed journals and reports or well-written documents by
acknowledged experts in the field); and
o State-of-the-art data collection and analysis methods used whenever data are obtained.
Many of these items are discussed in more detail in Chapter III. The complexity of each profile precluded the
development of an objective rule by which to assign the J-rating. These inherently qualitative values are
assigned by the principal investigator for profiles obtained from the Desert Research Institute (DRI), by Abt
Associates technical staff, or per the guidance of the Workgroup. EPA SPECIATE workgroup members, DRI
and Abt Associates all have extensive experience in source testing for speciation or processing speciated data
for emissions inventories, toxic emissions assessment, photochemical modeling, and source-receptor
modeling. The technical staff has published numerous peer-reviewed papers and prepared speciation profiles
and methodologies for air quality management agencies. Owing to the subjective nature of this rating, J-rating
is not a component of the Overall Objective Profile Quality Rating. The overall quality rating and its
constituent ratings, as well as the expert judgment rating, are available to the user and auditor for their
consideration. Users may consider the ratings as well as the reference and summary information about the
profiles housed in the profile tables to determine the suitability of a profile to their needs. Table 3 lists the
profile count by J-rating for profiles in SPECIATE 4.5. The distribution of profile J-ratings are shown in
Figure 2.
Table 3. Profile Counts by J-rating in the SPECIATE 4.5 Database
Organic Gas
Profiles
PM Profiles
Other Gases
Profiles
J-ratings
Counts
Counts
Counts
1
112
2
0
2
29
8
4
3
166
35
2
4
46
238
8
5
1,243
1,768
235
pg-17
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Final Report
Figure 2. Distribution of Profile J-ratings in SPECIATE 4.5
J-rating 1
3%
J-rating 2
_1%
J-rating 3
5%
J-rating 4
8%
l-rating 5
83%
pg. 18
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Final Report
CHAPTER III. Profiles Included in SPECIATE
Speciation data and profiles obtained from EPA, CARB, DRI, TCEQ, Environment Canada, CRC, NREL, and
numerous peer-reviewed journal articles were considered for inclusion in the SPECIATE 4.0 through 4.5
databases.
A list of new speciation profiles added to the SPECIATE 4.5 database, as of June 2016, is shown in Appendix
A. Users should refer to the SPECIATE database for the full list of speciation profiles. The following
subsections describe significant datasets from which the Workgroup obtained profiles. Subsection A contains
new speciation profiles included in the SPECIATE 4.5 database. All other subsections in this chapter identify
the profiles carried forward from the SPECIATE 4.0 through 4.4 databases.
During the development of the SPECIATE database, the Workgroup identified hundreds of peer-reviewed
journal articles and technical reports to evaluate for use in developing profiles for SPECIATE. The
Workgroup prioritized the datasets, with the highest priority given to EPA data as well as the data selected for
SPECIATE 4.5 listed in Section A below. The high-priority datasets were further analyzed for completeness
of information for profile development, the number of profiles that could be developed, priorities for source
categories for which profiles previously were not available or for which improved profiles were needed, and
the level-of-effort required to process the datasets. In addition, a MS Excel file (filename is Master Evaluation
of Profiles.xlsx) is used to show the prioritization of the datasets and to track the progress of profiles being
incorporated into the SPECIATE database. This file contains three worksheets: (1) data completed and
incorporated into SPECIATE 4.5; (2) references reviewed that are to be processed for incorporation into future
versions of SPECIATE; and (3) reports that do not contain sufficient data or details for developing profiles.
In addition, the Workgroup has prepared guidance to assist profile data collectors on how to collect and
present source profile data to maximize their utility to SPECIATE users, to assist future SPECIATE managers
in assessing whether the data should be incorporated, and to facilitate the process for preparing profiles in
SPECIATE format. This information is provided in Appendix B of this report.
A. New Profiles Included in SPECIATE 4.5
SPECIATE 4.5 includes new profiles from EPA OTAQ, ORD, and Region 8, the U.S. Geological Survey and
the scientific literature. EPA's Office of Transportation and Air Quality continues to develop gasoline, diesel,
and natural gas exhaust speciation profiles from onroad and nonroad sources. Other EPA offices (ORD and
Region 8) and U.S. Geological Survey have published numerous speciation profiles from oil and natural gas
fugitive emissions. Multiple waste incineration and biogenic combustion profiles are identified in the
literature as well. The major sources of new profiles that Abt Associates staff incorporated into the
SPECIATE 4.5 database are listed below.
1. Speciation Profiles and Toxic Emission Factors for Nonroad Engines (EPA-420-R-14-028; TOG
profiles);
2. Assessment of VOC and HAP Emissions from Oil and Natural Gas Well Pads Using Mobile Remote
and Onsite Direct Measurement (Brantley et al., 2015; TOG profiles);
3. Tribal Minor Source Registration Data, Region 8 - Uintah & Ouray Indian Reservation (EPA Region 8;
TOG profiles);
pg. 19
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Final Report
4. WRAP Phase III oil and gas speciation profiles (WRAP Phase III Support Data; TOG profiles);
5. Petroleum Systems and Geologic Assessment of Oil and Gas in the San Joaquin Basin Province,
California (USGS Professional Paper 1713; TOG profiles);
6. VOC Emissions from Oil and Condensate Storage Tanks (Texas Environmental Research Consortium,
2009; TOG profiles)
7. Tunnel studies (Gentner et al., 2013; Liu et al, 2014; NMOG profiles);
8. Animal waste and poultry production (Howard et al., 2010, Trabue et al., 2010; ROG profiles);
9. Gaseous and Particulate Emissions from Prescribed Burning in Georgia (Lee et al, 2005; TOG profiles);
10. Wildland Fire Emissions, Carbon, and Climate: Emission factors (Urbanski, 2014; TOG profiles);
11. Chemical and Physical Characterization of Municipal Sludge Incinerator Emissions (EPA-600/S3-84-
047; PM profiles);
12. CNG Transit Bus Exhaust (EPA-420-R-15-022; PM profiles);
13. Carbonaceous Aerosols Emitted from Light-Duty Vehicles Operating on Gasoline and Ethanol Fuel
Blends (Hays et al., 2013; PM profiles);
14. Brake wear and tire dust (HEI, Research Report 133 by Schauer et al., 2006; PM profiles);
15. Emissions from Charbroiling and Grilling of Chicken and Beef (McDonald et al, 2003; PM profiles);
16. Oil and Gas Production - Glycol Dehydrator (EPAOAQPS, 2016; TOG profile); and
17. Natural Gas Flare (EPAOAQPS, 2016, using TCEQ 2010 Flare Study Final Report).
Other speciation datasets included in SPECIATE 4.5 are light-duty gasoline/diesel exhaust, 2-stroke moped
profiles, constituents of fly ash from coal combustion, fireplace and residential wood stove combustion, gas-
fired boilers, welding fumes, garbage burning, brick and charcoal making kiln emissions, and composite
profiles from oil and natural gas production.
B. Additional EPA Speciation Data
In addition to the above EPA profiles added to the SPECIATE 4.5 database, other EPA data carried forward
from previous versions of SPECIATE include the speciation of hundreds of gasoline and diesel liquids and
headspace vapors, burning of foliar fuels, agricultural biomass burning, motor vehicle exhaust, iron and steel
manufacturing facilities, and oil and natural gas emissions. Examples of major EPA-collected speciation data
are provided below:
1. Gasoline and diesel liquids and headspace vapors, and motor vehicle exhaust (EPA, 2008a and 2008b;
TOG profiles, added to SPECIATE 4.0, 4.2, and 4.3);
2. Burning of foliar fuels (Hays et al., 2002), agricultural biomass burning (Hays et al., 2005; VOC
profiles, added to SPECIATE 4.0);
3. Iron and steel manufacturing facilities (Machemer, 2004; PM profiles, added to SPECIATE 4.0);
4. Combustion of residual fuel oil (Huffman, et al., 2000; PM profiles, added to SPECIATE 4.0);
5. Wood-fired industrial boilers (ERG, 2001; PM profiles, added to SPECIATE 4.0)
6. Exhaust emissions from four-stroke lawn mower engines (Gabele, 1997; TOG profiles, added to
SPECIATE 4.2);
7. Heavy-duty vehicle chassis dynamometer testing for emissions inventory, air quality modeling,
source apportionment and air toxics emissions inventory (CRC, 2003; CRC, 2005; CRC, 2007; PM
and TOG profiles, added to SPECIATE 4.2);
8. Oil-fired utility boilers (Beck, 2004; PM profiles, added to SPECIATE 4.3);
P9- 20
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Final Report
9. Fugitive particulate emissions from construction mud/dirt carryout (Kinsey et al., 2004; PM profiles,
added to SPECIATE 4.3);
10. Pulp and paper boilers (EPA, 2003; PM and NMOG profiles, added to SPECIATE 4.3);
11. Physical and chemical characterization of residential oil boiler emissions (Hays et al., 2008; PM and
VOC profiles, added to SPECIATE 4.3);
12. Characterization of landfill gas composition at the Fresh Kills municipal solid-waste landfill (Eklund
et al., 1998; TOG profiles, added to SPECIATE 4.3);
13. Emissions inventory of PM2.5 trace elements across the United States (Refif et al., 2009; PM profiles,
added to SPECIATE 4.3);
14. Kansas City PM characterization study (EPA, 2008a; TOG, NMOG, and PM profiles, added to
SPECIATE 4.4);
15. Composition of natural gas for use in the oil and natural gas sector rulemaking (EPA, 201 la; TOG
profiles, added to SPECIATE 4.4);
16. Composite gasoline headspace vapor - EPAct/V2/E-89 Program and CRC Report CRC-E-80 (EPA,
2009 and CRC, 2011; TOG profiles, added to SPECIATE 4.4);
17. Characterization of carbonaceous aerosols emitted from outdoor wood boilers (Hays et al., 2011; PM
profiles, added to SPECIATE 4.4);
18. Hydrocarbon composition of gasoline vapor emissions from enclosed fuel tanks (EPA, 2010 and
EPA, 201 lb; TOG and VOC profiles, added to SPECIATE 4.4);
19. Emissions from small-scale burns of simulated deployed U.S. military waste (Woodall et al., 2012;
VOC profiles, added to SPECIATE 4.4);
20. Chemical characterization of the fine particle emissions from commercial aircraft engines during the
Aircraft Particle Emissions experiment (APEX) 1 to 3 (Kinsey et al., 2011; PM profiles, added to
SPECIATE 4.4); and
21. The effects of operating conditions on semivolatile organic compounds emitted from light-duty,
gasoline-powered motor vehicles (Herrington et al., 2012; PM profiles, added to SPECIATE 4.4).
C. Cass Group Speciation Data
Researchers at the California Institute of Technology have conducted many speciation studies. This subsection
identifies the studies resulting from this research group for which profiles were developed and included in the
SPECIATE database upon recommendation by the Workgroup. Schauer et al. (1998) conducted a research
study with CARB to characterize seven air pollution sources: meat charbroiling, cooking with seed oils,
medium-duty diesel trucks, gasoline-powered motor vehicles, fireplace combustion of wood, cigarette smoke,
and industrial spray painting operations. Along with these seven source sectors, this research study also
includes liquid gasoline and headspace vapor profiles and paved road dust profiles for source receptor
modeling. Profiles from five out of the seven source sectors are published in peer-reviewed journals. The other
profiles mentioned above are identified in the final report to CARB (Schauer et al., 1998) and incorporated
into the database.
It is important to note that Schauer et al. continued an earlier CARB funded research study by Rogge, et al.
(1993) that applied several techniques to speciate pollutant compositions. Due to limited resources, these
profiles have yet to be incorporated into the database.
Both the Schauer et al. and Rogge et al. studies are extremely detailed in that they speciated hundreds of
organic compounds in PM, in addition to ions, metals, elemental carbon (EC) and organic carbon (OC). These
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detailed PM profiles are different from most other PM profiles which usually provide EC, OC, ions, and trace
element information only. The additional OC speciation data provide important source markers for receptor
modeling (e.g., hopanes, steranes, phenols, syringols, and levoglucosan) and toxic air pollutant (TAP)
emission inventories for health risk assessments [e.g., polycyclic aromatic hydrocarbons (PAHs)].
D. California Air Resources Board (CARB) Speciation Profiles
CARB has assembled many TOG and PM profiles as a result of survey work, testing programs, and other
research. CARB speciation profiles are available to the public on the internet (CARB, 2003). These profiles
are used by CARB during the development of state implementation plans (e.g., to assess photochemical
reactivity of VOC mixtures), TAP emission inventories, photochemical modeling, receptor modeling, and
other air quality projects. In all, 328 TOG and 8 PM profiles from CARB were selected for incorporation into
the SPECIATE database. These profiles cover emission sources such as consumer products (based on 1997
survey data), aerosol coatings (1997 survey data), architectural coatings (1998 survey data), pesticides, landfill
gas, wastewater treatment plants, thinning solvents (mineral spirits), degreasing solvents (SPECIATE 4.0),
vehicle hot soak (Hsu, 2003; SPECIATE 4.2), and other motor vehicle emission sources powered by
California reformulated gasoline (RFG; SPECIATE 4.2).
CARB developed additional profiles as part of CARB funded projects to DRI, and these profiles are included
under the DRI data discussion below. Another CARB funded study (CARB, 1991) to speciate organic gas
profiles from oil fields in California was added to SPECIATE 4.4.
E. Desert Research Institute (DRI) Speciation Profiles
A total of 1,230 PM speciation profiles were obtained from DRI and incorporated into the SPECIATE 4.0
database. The source sectors represent emissions from geological material, vegetative burning, industrial fuel
combustion, forest fires, road dust, refineries, coal combustion, motor vehicles, and many others. Moreover,
the profiles measured for the U.S. Department of Energy funded Gasoline-Diesel PM Split Study (DOE, 2005)
are included in the SPECIATE 4.2 database.
DRI prepared an additional set of fireplace wood burning and road dust profiles for the California Lake Tahoe
Source Characterization Study (Kuhns, et al., 2004), and a study on middle- and neighborhood-scale variations
of PMio source contributions in Las Vegas, Nevada (Chow, et al., 1999). Due to priority, these PM profiles
will be considered for a later version of SPECIATE.
F. Texas Commission on Environmental Quality (TCEQ) Speciation Profiles
As recommended by the Workgroup, a total of eight VOC profiles for five refineries and three olefin
manufacturing plants were added to the SPECIATE 4.0 database (Allen, 2004). However, these profiles are
given a low quality rating because metadata (e.g., analytical and sampling methods, source documentation,
number of samples needed for profile quality rating) are not readily available and significant resources would
be required to retrieve the underlying information (i.e., reviewing the facility reports, likely maintained at the
facilities).
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G. Profiles Prepared from Environment Canada's National Pollutant Release Inventory
A total of 100 VOC profiles were developed and included in the SPECIATE 4.1 database (and carried forward
in later versions of SPECIATE) from data contained in Environment Canada's National Pollutant Release
Inventory (NPRI). The NPRI is the only nationwide, publicly-accessible program of its type in Canada that
provides information on annual releases of pollutants to the air, water, land, and disposal or recycling from all
sectors.
The NPRI database contains 22 tables that are structured in an MS Access relational database format. The
NPRI database provides detailed stationary source facility-level emissions by pollutant along with facility
contact information, addresses, and North American Industry Classification System (NAICS) code and/or
Canadian or American Standard Industrial Classification (SIC) code. For this project, several methods were
developed to match the fields in the NPRI database to the format of SPECIATE. The main difference between
the SPECIATE database and the NPRI database is that the NPRI data are not provided at the emissions
process or unit level but are aggregated to the facility level to avoid the disclosure of confidential information.
Consequently, many of the data fields in the two databases could not be matched directly. For example, a
facility may have emissions from boilers fueled with diesel and natural gas, volatile compound emissions from
fugitive sources, and emissions from internal combustion engines. All of these speciated emissions are
collectively registered to one facility account in the NPRI database by plant operators. Since operation of each
emission source is different from one plant to another, the SPECIATE database is designed to capture
speciation profiles in the most disaggregated form possible.
H. Environment Canada Mobile Source Speciation Profiles
In addition to the NPRI database, Environment Canada also has extensive research programs to characterize
emissions from vehicles with various engine and emission control technologies when operated on traditional
gasoline, different blends of ethanol gasolines, diesel, biodiesel, and other fuels. Several studies tested vehicles
at 0 °C and 20 °C for speciated emission composition comparisons (e.g., ERMD Report 00-37). Programs
were undertaken to help identify and quantify the emissions impact of different blended fuels on the tailpipe
and evaporative emissions. In general, reports discuss gaseous emissions of carbon monoxide (CO), oxides of
nitrogen (NOx), total hydrocarbon (THC), non-methane hydrocarbons (NMHC), non-methane organic gases
(NMOG), ethanol, and PM, in addition to comprehensive speciated compounds (e.g., ERMD Report 1998-
26718, ERMD Report 2005-39; SPECIATE 4.2).
I. Coordinating Research Council E-75 Diesel Exhaust Speciation Database
In order to better assess the current state of speciated diesel emissions data, the CRC and the U.S. DOE NREL
jointly contracted with consultants to conduct the E-75 project comprising the following three objectives:
• Perform a literature review of diesel speciation studies;
• Compile speciated exhaust emissions data from on-road diesel vehicles designed to meet U.S. emission
standards; and
• Assess the quality and completeness of the data.
The consultants reviewed studies that provided data on speciated diesel exhaust emissions from vehicles with
and without the use of advanced emission reduction technologies. In performing the literature search to
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Final Report
determine the datasets that could be incorporated into a diesel emissions database for this project, the
consultants accessed peer-reviewed materials such as journal papers [e.g., Environmental Science and
Technology (ES&T)] and papers and reports from the Society of Automotive Engineers, CRC, NREL, CARB,
U.S. EPA, and research institutes (e.g., University of Wisconsin, West Virginia University, University of
California at Riverside)]. After review and analysis of the report content and speciation methodology
employed, the consultants summarized the suitability of each reference for this project (Hsu and Mullen, 2007).
Multiple heavy duty diesel exhaust profiles have been incorporated into the SPECIATE database (SPECIATE
4.2 and 4.3).
J. SPECIATE 3.2 Legacy Profiles
The profiles in SPECIATE 3.2 have been incorporated into SPECIATE 4.0 and carried forward in later
database versions. The GAS PROFILE and PM PROFILE tables in the SPECIATE 4.5 database both contain
a field named VERSION to identify profiles that originate from SPECIATE 3.2 (see Table 1 for the definition
of this field). The data from SPECIATE 3.2 are reformatted for storage in the SPECIATE 4.5 database, but the
additional fields that appear in SPECIATE 4.5 and not in SPECIATE 3.2 are not populated. The SPECIATE
3.2 profiles are not subject to the SPECIATE 4.5 profile rating criteria as discussed in Chapter II.
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Final Report
CHAPTER IV. Important Notes and Comments Related to the SPECIATE
Database
Throughout this project, the Workgroup raised issues and questions regarding the SPECIATE database. This
chapter describes results and recent decisions made by the Workgroup.
A. Completeness of the SPECIATE Database
The SPECIATE 4.5 database includes speciation profiles covering the top 20 VOC and PM contributing
source sectors in the 2011 NEI, accounting for over 80% of all emissions. For example, EPA constructed VOC
and PM foliar fuel profiles that are appropriate to the prescribed burning and wildfires categories, two of the
largest VOC and PM emission sectors in the NEI. There are also TOG profiles for oil and gas extraction
fugitive emissions, natural gas flaring, gasoline motor vehicle exhaust (catalyst and non-catalyst), surface
coatings (architectural coatings and aerosol coatings both solvent-borne and water-borne), liquid gasoline and
the latest EPA gasoline exhaust, evaporative, and diesel headspace profiles all reflect changes in new
regulations and formulations. A much more complete speciation of diesel exhaust VOC is also included in the
SPECIATE 4.5 database. The gasoline and diesel onroad sectors are among the largest organic gas emitters.
Speciation data for other large emission sectors like paved and unpaved road dust, degreasing, diesel exhaust,
pesticides, solvents, consumer products, fireplaces, dry cleaning, graphic arts and household products were
included in SPECIATE 4.4 and carried forward into the SPECIATE 4.5 database.
During the development of the SPECIATE 4.5 database, the Workgroup identified many mobile source
emissions datasets that contain diesel exhaust PM and organic gases, gasoline vehicle exhaust and evaporative
emissions, and non-road vehicle emissions. In addition to conventional vehicle emissions data, future fuels
(e.g., low sulfur diesel, biodiesel), and advanced technology vehicles are included in the SPECIATE 4.5
database.
Even though SPECIATE 4.5 contains speciation profiles for a comprehensive list of emission sources, the
Workgroup continuously strives to search for speciation data that are more specific for source types, processes,
and different regions. Examples of source sectors where speciation data profiles are needed include the oil and
gas industry (extraction wells, dehydration sumps, processing plants, storage tanks, distribution and
transmission leaks), household and yard waste burning, biodiesel engine exhaust, pulp and paper industry
boiler combustion, architectural and industrial maintenance coating, wild fires, prescribed burnings, and coal-
fired power plants. There are also data gaps for PM profiles that differentiate filterable and condensable
speciation data. In addition to individual profiles, composite profiles are also important for SPECIATE users.
B. Unresolved Mixtures within Profiles
Many TOG and VOC speciation profiles contain mixtures of compounds listed as a single species (e.g.,
surface coatings and adhesives profiles have mineral spirits and/or "aromatic 100" solvents). Users could
further speciate these unresolved fractions using appropriate solvent profiles provided in the SPECIATE 4.5
database (i.e., organic gas profile numbers 3141 and 4423 - 4461). Further effort should be expended to
resolve these mixtures within each of the SPECIATE profiles. This is an important issue for many users of
SPECIATE, including photochemical modelers, inventory preparers, and control strategy analysts.
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Final Report
Photochemical modelers have expressed an interest in seeing these mixtures resolved in speciation profiles
(Carter, 2004).
The issue of unresolved mixtures is illustrated in Table 4 below using the example TOG profile #2425 for
"surface coatings - general". The top chemical listed is mineral spirits at 31% by weight. Another important
mixture in this profile is xylene isomers at 11% by weight. Since these chemicals are made up of many
individual species, the use of this profile can present problems for users. Speciation profiles for mineral spirits
and xylene mixtures are shown in Appendix C. Additional effort is needed to resolve the mixtures in order to
present reasonably complete (i.e., species-specific) profiles for the user community. The key profiles are those
with substantial amounts of mixtures (e.g., >3-5% by weight) and those that are commonly used in regional
modeling and inventory development. For example, although there are additional mixtures shown in the
profile in Table 4 (e.g., oxygenates, ketones), their contributions are fairly small.
Table 4. Profile #2425 for Surface Coatings - General
Chemical Name
Weight
Percent
CAS#
MINERAL SPIRITS
31.05
64475850
TOLUENE
12.34
108883
XYLENE, ISOMERS OF
11.02
1330207
METHYL ETHYL KETONE
4.16
78933
BUTYL ACETATE N-
3.90
123864
ETHYLENE GLYCOL
3.35
107211
METHYL ISOBUTYL KETONE
3.15
108101
BUTYL CELLOSOLVE
2.94
111762
DIACETONE ALCOHOL
2.94
123422
BUTYL ALCOHOL S-
2.92
78922
ACETONE
2.36
67641
ISOBUTYL ALCOHOL
2.06
78831
ETHYL ALCOHOL
1.69
64175
ETHYL ACETATE
1.50
141786
ISOPROPYL ALCOHOL
1.50
67630
PROPYLENE GLYCOL
1.24
57556
TRICHLOROETHANE 1,1,1-
1.01
71556
UNDEFINED VOC
0.87
PROPYL ACETATE N-
0.60
109604
PROPYLENE GLYCOL MONOMETHYL ETHER
ACETATE
0.60
108656
BUTYL CARBITOL
0.54
112345
OXYGENATES
0.49
KETONES - GENERAL
0.44
CELLOSOLVE ACETATE
0.36
111159
METHOXY-2-PROPANOL 1-
0.30
107982
MONOMETHYL ETHER DIPROPYLENE GLYCOL
0.30
34590948
CELLOSOLVE
0.24
110805
CARBITOL
0.12
111900
METHYL CARBITOL
0.12
111773
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Final Report
The profiles listed for mineral spirits and xylene mixtures in Appendix C show that there are important
implications for resolving these mixtures. For users involved in preparing TAP inventories, important species
are present in significant amounts (e.g., toluene, ethylbenzene, xylene isomers). Resolving these mixtures will
also help photochemical modelers and control strategy analysts better understand the reactivity of the overall
profile.
C. Preference of New Profiles
For certain source categories, SPECIATE users can choose from a set of relevant profiles. The SPECIATE 4.5
database incorporates updated speciation profiles that reflect the changes in product composition that have
been made in response to new regulations (e.g., ethanol blended gasoline) and sampling technologies (e.g.,
dilution sampling for combustion sources). For example, consumer and commercial product categories are
among the highest contributors to VOC emissions nationally. Due to new federal and state regulations,
different ingredients have been developed for consumer products. Users should take into account the most
appropriate vintage of profile for their particular application. Another example is the reduction of lead content
in road dust, presumably due to the phase-out of leaded gasoline. Newer profiles are generally recommended
where a choice exists, except when conducting retrospective emissions or modeling analyses. Therefore, users
should refer to the TESTYEAR field associated with each profile when choosing profiles. The VRATING
field may also be useful for this purpose.
D. Identification of Species
The individual species that make up the profiles may be identified by several methods, so the SPECIATE 4.5
database provides several fields that can be used to distinguish each species. A Chemical Abstracts Service
(CAS) number is an identifier assigned to a specific compound by the American Chemical Society (ACS).
EPA is often interested in groups of compounds, such as VOCs or PAHs. These groups are assigned EPA IDs
where there are no CAS numbers in ACS. CAS numbers and EPA IDs are mutually exclusive — that is, a
compound or group never has both identifiers. An EPA internal tracking number (ITN) is assigned to all
compounds or groups tracked in the EPA Substance Registry System (SRS) and makes a useful unique
identifier for compounds/groups. However, it is not as well-known or as readily available as the CAS number.
Finally, ongoing research and analysis shows that there are compounds and mixtures that have no associated
identification numbers.
Within the SPECIATE 4.5 database, all species, whether individual compounds or groupings, are identified
and detailed in the SPECIEPROPERTIES table. A unique Species ID is designated for each species tracked
within the database; its various identifiers and characteristics are stored in the fields or columns of the record.
The internal workings of SPECIATE depend on the Species ID within the SPECIATE 4.5 database, rather
than a particular ID number (such as CAS or EPA ID). Thus, the SPECIATE 4.5 database can function with
or without the presence of a CAS or EPA ID.
In cases where neither the CAS number, EPA ID, nor EPA ITN is available, the ID field in the
SPECIE PROPERTIES table may be used to identify species in ancillary applications, such as mappings.
Note that the SPECIATE temporary ID was used during the development of SPECIATE 4.0 to facilitate
tracking of data but is no longer used.
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Final Report
If a CAS number, EPA ID, or EPA ITN is subsequently defined for a compound or group, that information
will be recorded in the SPECIATE database in the SPECIEPROPERTIES table. The EPA Office of
Environmental Information provided identification information on compounds in SPECIATE that were
previously without identification numbers and are tracked in the SRS. These identifiers have been
incorporated into the SPECIATE 4.5 database in the SPECIE PROPERTIES table.
SAROAD codes are the other widely used chemical identifiers. However, EPA no longer maintains SAROAD
codes for chemicals. Currently, SAROAD codes are included in many speciation databases and are built into
photochemical and dispersion models. Since there is no central SAROAD codes database, there are several
versions of SAROAD codes among EPA, state agencies and organizations (due to users generating their own
SAROAD codes, as needed). Since there are conflicts in SAROAD codes, the Workgroup is undecided about
whether they should be included in the SPECIATE database. For SPECIATE 4.5, the SAROAD codes
associated with SPECIATE 3.2 profiles are kept in the database.
E. Mass Fractions of Unmeasured Species
To account for as much as possible of the emitted mass of fine particulate matter (PM2.5), Reff et al. (2009)
calculated additional species that were not in the original raw profiles in SPECIATE. Details about these
calculations are provided below.
Particulate-Bound Water
Reff et al. (2009) calculated particulate-bound water (H2O) emissions for each composite profile as 24% of
the sum of SO4 and NH4+ emissions. H2O emissions from combustion and other high-temperature sources
were forced to be 0 with the expectation that the water emitted from such environments is likely to be in the
vapor phase. Sources considered to have no particulate H20 emissions are agricultural burning, bituminous
combustion, calcium carbide furnace, charbroiling, charcoal manufacturing, distillate oil combustion, electric
arc furnace, ferromanganese furnace, glass furnace, heavy-duty diesel vehicle (HDDV) exhaust, heat treating,
Kraft recovery furnace, light-duty diesel vehicle (LDDV) exhaust, lignite combustion, lime kiln, meat frying,
natural gas combustion, non-road gasoline exhaust, on-road gasoline exhaust, open hearth furnace, prescribed
burning, process gas combustion, pulp & paper mills, residential coal combustion, residential natural gas
combustion, residential wood combustion, residual oil combustion, sintering furnace, slash burning, sludge
combustion, solid waste combustion, sub-bituminous combustion, wildfires, and wood fired boilers.
Metal-Bound Oxygen
Reff et al. (2009) calculated metal-bound oxygen (MO) 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. Table 5 shows the expected oxide forms of each metal, which are based on the most common
oxidation states of the metals. Total MO was then calculated for each source category using the following
equation:
n
M O = ^ Ox £ 1 ¦ Ei 1
El
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Final Report
where Oxei is the oxygen-to-metal ratio for metal El, and Eei is the emission of metal El after accounting for
bonding with SO4 . For metals with more than one common oxidation state, the mean of the oxygen-to-metal
ratios was used for the Oxei value (see Table 5).
Table 5. Assumed Oxide Forms of Each Metal and Resulting Mean Oxygen-to-Metal Ratio Used to
Calculate the Emissions of Metal-Bound Oxygen
Species Oxide Form 1 Oxide Form 2 Oxide Form 3 Oxygen/Metal Ratio
Na
Na20
0.348
Mg
MgO
0.658
A1
A1203
0.889
Si
Si02
1.139
P
P 2O3
P2O5
1.033
K
k2o
0.205
Ca
CaO
0.399
Ti
Ti02
0.669
V
v2o5
0.785
Cr
Cr203
Cr03
0.692
Mn
MnO
Mn02
Mn2Oy 0.631
Fe
FeO
Fe203
0.358
Co
CoO
Co203
0.339
Ni
NiO
0.273
Cu
CuO
0.252
Zn
ZnO
0.245
Ga
Ga203
0.344
As
As203
AstOj
0.427
Se
SeO
Se02
Se03 0.405
Rb
Rb20
0.094
Sr
SrO
0.183
Zr
Zr02
0.351
Mo
Mo02
Mo03
0.417
Pd
PdO
Pd02
0.226
Ag
Ag20
0.074
Cd
CdO
0.142
In
ln203
0.209
Sn
SnO
Sn02
0.202
Sb
Sb203
Sb205
0.263
Ba
BaO
0.117
La
La203
0.173
Ce
Ce203
Ce02
0.2
Hg
Hg20
HgO
0.06
Pb
PbO
Pb02
0.116
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Final Report
This is an extension of the assumption described by Malm et al. (1994), where two common forms of Fe are
assumed to exist in ambient particulate matter in equal quantities. The list of metal oxides in Table 5 is
inclusive of metal oxide forms used in some previous studies of particulate matter. In the Sea Salt profile, MO
is forced to be zero because the Na, Mg, Ca, and K ions are assumed to be neutralized by CI" and SO4 rather
than oxygen. In the Agricultural Burning profile, the Workgroup assumed all K to be in the form of KC1 rather
than K20.
Particulate Non-Carbon Organic Matter
Particulate Non-Carbon Organic Matter (PNCOM) consists of hydrogen, oxygen, nitrogen, and other elements
bound to carbon in OC. PNCOM is calculated for each source category by multiplying OC emissions by a
source-category specific organic matter (OM)/OC ratio to calculate an OM emission, and subtracting OC from
OM. For all new profiles added to SPECIATE 4.5 in 2016, we used the methods described in Reff et al. (2009)
unless PNCOM was explicitly measured and reported in the source tests.
Reff et al. (2009) used an OM/OC ratio of 1.25 for all motor vehicle exhaust sources (LDDV and HDDV
exhaust, non-road and on-road gasoline exhaust source categories), which is a median of the values from
Aiken et al. (2008) (1.22, 1.25); Lipsky and Robinson (2006) with artifact correction (1.4); Russell (2003) (1.2,
1.3, 1.1); and Japar et al (1984) (1.43). This ratio is also fairly consistent with the value of 1.2 used by
Kleeman et al. (2000) and Sheesley et al. (2003), based on the measurements by Schauer et al. (1999, 2002).
Reff et al. (2009) used an OM/OC ratio of 1.7 for wood combustion sources (wildfires, agricultural burning,
residential wood combustion, prescribed burning, and slash burning source categories), which is a median of
the values from Aiken et al. (2008) (1.55, 1.7); Lipsky and Robinson (2006) with artifact correction (1.8);
Hays et al. (2002) (1.2); and Turpin and Lim (2001) (1.9) - the 1.9 was computed from the organic-molecular
data of Schauer et al. (2001). The ratio of 1.7 is in agreement with the mass-closure estimates reported by
Sheesley et al. (2003) (1.7) and Bae et al. (2006) (1.74), and falls in the range of estimates reported by Jimenez
et al. (2007) (1.5, 1.8, and 2.0). The Wood Fired Boiler category was originally assigned an OM/OC ratio of
1.7, but was changed from 1.7 to 1.4 because a wood-fired boiler should not have as much oxygen as an open
fire (Reff et al., 2009).
An OM/OC ratio of 1.4 was applied to the emissions from all other source categories based on the long-
standing value used in numerous studies of atmospheric PM2.5 (Turpin and Lim, 2001).
Ammonium
In cases where NH4+ values were not explicitly measured, NH4+ values were imputed stoichiometrically in the
profiles for the Ammonium Sulfate Production [assuming (NH4)2S04] and Ammonium Nitrate Production
(assuming NH4NO3) source categories.
Sulfate and Sulfur
Many of the raw profiles contained a value for either SO4 or S, but not both. In these cases, Reff et al. (2009)
used stoichiometry to compute the missing value from the available measurement (assuming all S was present
in the form of SO4 ). In profiles of the Ammonium Sulfate Production, Copper Processing, Lime Kiln, and
Catalytic Cracking categories, both SO4 and S values were given in the data, but they were not
stoichiometrically consistent. In these cases S was computed from SO4 due to the higher accuracy of ion
chromatography compared to X-ray fluorescence.
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F. Renormalization of PM Profiles
Most PM profiles are normalized to the gravimetric mass of PM by dividing the species weight by the
gravimetric mass of PM collected on Teflon filters as reported in the primary literature. Due to the nature of
sampling and analytical technologies, many PM speciation profiles show a total mass of larger than 100% due
to OC measurements having "organic gas adsorption artifacts". OC collected on quartz fiber filters have
positive artifacts due to adsorption of organic gases on the filter. Desorption of SVOC contributes to negative
artifacts. There is no easy fix for these artifacts (Chow, 2004). Organic gas denuders and backup quartz fiber
filters have been studied as methods for correcting these artifacts, but there are no standard solutions to date.
Most of these profiles are technically accurate for the individual componentST
DRI applied two other normalization bases to a set of DRI PM profiles (SPECIATE 4.0). When measured
mass was below 1 to 2 milligrams (mg) or exceeded 5 mg, the effect of gaseous OC adsorption on quartz-fiber
filters became apparent since the sum of the ratio of chemical species to measured mass ratios exceeded unity.
These samples were renormalized to the sum of species or reconstructed mass rather than measured
gravimetric mass. For the sum of species, only total carbon (TC) was used to represent carbonaceous material
while 1.4 x [OC] + [EC] was used for reconstructed mass to account for the mass of other elements (such as N,
S, and O) associated with OC. The factor of 1.4 was selected to adjust the OC mass for other elements
assumed to be associated with the OC molecule (White and Roberts, 1977; Japar et al., 1984). Similarly,
crustal material was estimated by 2.2 x [Al] + 2.49 x [Si] + 1.63 x [Ca] + 2.42 x [Fe] + 1.94 x [Ti] in the
reconstructed mass by summing the mass of those elements predominantly associated with soil, with
allowance for oxygen present in the common compounds (e.g., AI2O3, Si02, CaO, K20, FeO, Fe203, Ti02).
The NORM BASIS field in the PM PROFILE table identifies the normalization basis (PM mass, sum of
species, or reconstructed mass) used for a DRI profile if this information is available.
To compute "model-ready" PM profiles, new speciation profiles added to SPECIATE 4.5 in 2016 (i.e., 95219,
95220, 95429 - 95462) are normalized by reconstructed mass using the method laid out in Reff et al. (2009).
The reconstructed mass is calculated by summing the mass of speciated compounds (e.g., EC, OC, metals) and
those inferred (e.g., particulate-bound water, MO, and PNCOM). When the reconstructed mass is less than the
PM gravimetric mass, an additional species called "Other Unspeciated PM" is added to the profile to make the
sum of species equal to 100% of PM. In this case, the gravimetric mass of PM is applied to normalize the
profile.
G. Avoiding Double-Counting Compounds
The total speciated percentage of a given PM profile is listed under the TOTAL field in the SPECIATE 4.5
database. It is calculated as the sum of all speciated compounds (e.g., EC, OC, sulfates, nitrates, metals),
excluding elemental sulfur and speciated organics in PM (e.g., PAHs).
As described previously, speciated organic compounds are measured in many of EPA's and Schauer's PM
profiles. The mass of these organic species is divided by PM mass to calculate their mass fraction. For these
PM profiles, the mass of each PM-associated organic species is excluded from the sum of all speciated
compounds to avoid double-counting with OC and PNCOM (i.e., organic species such as PAHs are included
in the OC and PNCOM fractions). The OC included in these PM speciation data have a higher mass than the
sum of the speciated organic compounds (since not all species are identified and quantified). Therefore, the
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OC mass is used in the calculation of total PM mass when the profile is developed in order to achieve better
mass closure.
Similarly, elemental sulfur and ionic sulfate are measured in many PM speciation datasets. They are analyzed
using different analytical techniques (e.g., X-ray fluorescence spectroscopy, flame atomic absorption, ion
chromatography). For the purposes of determining total PM mass, the ionic sulfate results from the ion
chromatography analysis are used, since this technique provides a higher total mass than the elemental
measurements.
H. Inorganic Gases in PM Profiles
Sulfur dioxide, ammonia and other inorganic gases are sometimes collected and measured along with DRI PM.
Sulfur dioxide and other gases are presented as percentages by dividing the individual gas mass by total PM
mass but are not included in the Total Mass calculation for the profile. The Workgroup recommended
inclusion of inorganic gases for receptor modeling purposes, with inorganic gases distinctly indicated as a gas
in the chemical names. Inorganic gases are not added to the PM mass. The database includes a field
(INCL GAS) indicating whether a PM profile has associated inorganic gases. These DRI PM profiles were
added to SPECIATE 4.0 database and carried forward into the SPECIATE 4.5 database.
I. Correction Factors for Oxygenated Compounds
The EPA gasoline and diesel headspace vapor data are calibrated by generic standards (e.g., correlate gas
chromatograph responses to hexane standard gas), and, therefore, need to be adjusted with correction factors
(Lewis, 2004). Common oxygenated compounds in speciation profiles are ethanol, methyl t-butyl ether
(MTBE), and t-amylmethyl ether (TAME). The mass percentages for oxygenated compounds are adjusted
based on gas chromatography responses. These oxygenated compounds are adjusted based on correction
factors in the literature (1.5, 1.25, and 1.2 for ethanol, MTBE, and TAME, respectively; Scanlon et al., 1985;
Jorgensen et al., 1990). Both adjusted and unadjusted speciation profiles for the EPA headspace vapor data are
incorporated in SPECIATE 4.0 database and carried forward into SPECIATE 4.5. The terms "adjusted for
oxygenates" and "not adjusted for oxygenates" are added to the end of the names of the profiles in the
GAS PROFILE table in the SPECIATE 4.5 database to clearly identify the profiles for which response factors
are applied versus the profiles for which the response factors are not applied.
J. Other Correction Factors
Thermal optical reflection (TOR) and thermal optical transmission (TOT) instruments are commonly used to
measure EC and OC. Both analyzers quantify carbon atoms only (i.e., the mass of associated oxygen,
hydrogen, nitrogen and other atoms is not included). EC and OC measurements reported in DRI PM profiles
are measured by the TOR procedure. EPA and Schauer's profiles used the TOT procedure for EC and OC
analyses. This is important since previous studies have observed that the discrepancy in EC resulting from
TOR and TOT procedures could be up to 40% due to differences in the operational definitions of EC and OC.
Since there is no consensus on the best method for EC and OC measurements, data are reported as measured
without an adjustment. The SPECIATE 4.5 database includes an analytical methods field (ANLYMETHOD)
in the PM SPECIE table indicating which method is used.
pg.32
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K. Data from Tunnel Studies
Profiles generated from tunnel studies should be associated with onroad motor vehicle emissions, including
mixtures of gasoline and diesel exhaust, evaporative sources, road dust, tire wear, brake wear, etc. These types
of profiles can be identified from references in the database as well as the NOTES field. While these types of
profiles may not be useful for the purposes of emission inventory development (since they are mixtures of
many emission sources), they are useful for source apportionment (receptor) modeling.
L. VOC-to-TOG Conversion Factors
The process of calculating the VOC-to-TOG conversion factor for a given profile consists of determining the
organic gases in the profile that are exempted from the EPA VOC definition and determining what portion of
the overall profile is composed of these non-photochemically reactive compounds (e.g., methane, ethane,
acetone). Once the weight fraction sum of these non-photochemically reactive compounds is known, it is
divided into 1 to obtain the VOC-to-TOG conversion factor. The EPA definition of VOC and a list of exempt
organic gases are available at http://www.ecfr.gov/cgi-bin/text-
idx?SID=b77fdl7146a534c225c8557b5ed4a469&node=40:2.0.1.1.2.3.8.I&rgn=div8 (accessed June 2016).
Using the EPA list of exempt organic gases, database queries are used to compute the VOC-to-TOG
conversion factors. For example, if a profile contains 20% methane (not a VOC) and 80% VOC, the VOC-to-
TOG conversion factor is the sum of all species divided by the portion that is VOC, or 100 ^ 80 in this
example. The resulting conversion factor (1.25) is stored with the profile in the VOC to TOG field. It can be
applied to an estimate of VOC emissions to estimate TOG emissions. For composite profiles, the conversion
factors are computed after the composites are developed.
M. Composite PM and TOG Profiles
Many emission source categories have multiple speciation profiles in prior SPECIATE versions. There are
131 composite PM profiles (Refif et al., 2009) carried forward into the SPECIATE 4.5 database. There are four
composite tire dust and brake wear PM profiles (95495 - 95462) added to SPECIATE 4.5. Table 6 lists the
PNUMBER and name of the profiles. Users may employ the composite profiles to avoid manual comparison
of several relevant but diverse profiles, using the Workgroups as an indication of central tendency for the
source category. Users may equally prefer their own analysis of the constituent profiles, determining the best
fit for their needs, thereby obviating the need for the composites.
The PM-composite profiles developed by Refif et al. (2009) are identified by profile numbers (P NUMBER)
that start with "91xxx". The term "composite" is also included at the end of the name in the NAME field in
the PMPROFILE table. The composite profiles are easily identified by the ORIG COMPO field (allowed
value = "O" for Original, "C" for Composite, Null for legacy profiles). The NOTES field in the
PM PROFILE table identifies the individual profiles (first included in the SPECIATE 4.2 database) upon
which the composite profiles are based. The documentation provided in the NOTES field is also provided in
the DESCRIPTION field in the REFERENCE table; the DOCUMENT field in the REFERENCE table is null
since the composite profiles are based on more than one individual profile. Users may look-up the references
for the individual profiles in the database to identify the references supporting the PM-composite profiles.
pg. 33
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Table 6. PM Composite Profiles Carried Forward into the SPECIATE 4.5 Database
P_NUMBER
NAME
91000
Draft Agricultural Burning - Composite
91001
Draft Agricultural Soil - Composite
91002
Draft Brake Lining Dust - Composite
91003
Draft Catalytic Cracking - Composite
91004
Draft Cement Production - Composite
91005
Draft Charbroiling - Composite
91006
Draft Cigarette Smoke - Composite
91007
Draft Construction Dust - Composite
91008
Draft Copper Production - Composite
91009
Draft Crustal Material - Composite
91011
Draft Electric Arc Furnace - Composite
91012
Draft Ferromanganese Furnace - Composite
91013
Draft Fly Ash - Composite
91014
Draft Food & Ag - Handling - Composite
91015
Draft Industrial Soil - Composite
91016
Draft Inorganic Fertilizer - Composite
91017
Draft LDDV Exhaust - Composite
91018
Draft Lime Kiln - Composite
91019
Draft Limestone Dust - Composite
91020
Draft Natural Gas Combustion - Composite
91021
Draft Non-catalyst Gasoline Exhaust - Composite
91022
Draft Onroad Gasoline Exhaust - Composite
91023
Draft Paved Road Dust - Composite
91024
Draft Phosphate Manuf- Composite
91025
Draft PMS02ControlledLigniteCombustion - Composite
91026
Draft Prescribed Burning - Composite
91027
Draft Process Gas Combustion - Composite
91028
Draft Residential Coal Combustion - Composite
91029
Draft Residential Wood Combustion: Eucalyptus - Composite
91030
Draft Residential Wood Combustion: Hard - Composite
91031
Draft Residential Wood Combustion: HardSoft - Composite
91032
Draft Residential Wood Combustion: HardSoftN/A - Composite
91033
Draft Residential Wood Combustion: Soft - Composite
91035
Draft Sand & Gravel - Composite
91036
Draft Sandblast - Composite
91037
Draft Secondary Aluminum - Composite
91038
Draft Sintering Furnace - Composite
91039
Draft Slash Burning - Composite
91040
Draft Solid Waste Combustion - Composite
91041
Draft Sub-bituminous Combustion - Composite
pg.34
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P_NUMBER
NAME
91042
Draft Surface Coating - Composite
91043
Draft Tire Dust - Composite
91044
Draft Unpaved Road Dust - Composite
91045
Draft Wildfires - Composite
91046
Draft Wood Product Drying - Composite
91047
Draft Wood Product Sawing - Composite
91048
Draft Bituminous Coal Combustion - Composite
91100
Unpaved Road Dust - Composite
91101
Agricultural Soil - Composite
91102
Wildfires - Composite
91103
Agricultural Burning - Composite
91104
Bituminous Combustion - Composite
91105
Residential Wood Combustion - Composite
91106
HDDV Exhaust - Composite
91107
Construction Dust - Composite
91108
Paved Road Dust - Composite
91109
Prescribed Burning - Composite
91110
Sub-bituminous Combustion - Composite
91111
Sand & Gravel - Composite
91112
Natural Gas Combustion - Composite
91113
Nonroad Gasoline Exhaust - Composite
91114
Wood Fired Boiler - Composite
91115
Distillate Oil Combustion - Composite
91116
Charbroiling - Composite
91117
Residual Oil Combustion - Composite
91118
Dairy Soil - Composite
91119
Kraft Recovery Furnace - Composite
91120
Mineral Products - Avg - Composite
91121
Industrial Manufacturing - Avg - Composite
91122
Onroad Gasoline Exhaust - Composite
91123
Heat Treating - Composite
91124
Chemical Manufacturing - Avg - Composite
91125
Lignite Combustion - Composite
91126
Solid Waste Combustion - Composite
91127
Cement Production - Composite
91128
Wood Products - Drying - Composite
91129
Surface Coating - Composite
91130
Food & Ag - Handling - Composite
91131
Wood Products-Sawing - Composite
91132
Aluminum Processing - Composite
91133
Open Hearth Furnace - Composite
91134
Brake Lining Dust - Composite
pg. 35
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P_NUMBER
NAME
91135
Meat Frying - Composite
91136
Process Gas Combustion - Composite
91137
Aluminum Production - Composite
91138
Lime Kiln - Composite
91139
Sintering Furnace - Composite
91140
Charcoal Manufacturing - Composite
91141
Catalytic Cracking - Composite
91142
Fiberglass Manufacturing - Composite
91143
Glass Furnace - Composite
91144
Pulp & Paper Mills - Composite
91145
Petroleum Industry - Avg - Composite
91146
Slash Burning - Composite
91147
Misc. Sources - Composite
91148
Asphalt Roofing - Composite
91149
Inorganic Chemical Manufacturing - Composite
91150
Tire Dust - Composite
91151
Ferromanganese Furnace - Composite
91152
Wood Products - Sanding - Composite
91153
Electric Arc Furnace - Composite
91154
Food & Ag-Drying - Composite
91155
Residential Coal Combustion - Composite
91156
Residential Natural Gas Combustion - Composite
91157
Cast Iron Cupola - Composite
91158
Copper Processing - Composite
91159
Asphalt Manufacturing - Composite
91160
Fly Ash - Composite
91161
Sandblast - Composite
91162
LDDV Exhaust - Composite
91163
Ammonium Nitrate Production - Composite
91164
Limestone Dust - Composite
91165
Phosphate Manufacturing - Composite
91166
Gypsum Manufacturing - Composite
91167
Urea Fertilizer - Composite
91168
Lead Processing - Composite
91169
Crustal Material - Composite
91170
Copper Production - Composite
91171
Brick Grinding and Screening - Composite
91172
Calcium Carbide Furnace - Composite
91173
Coke Calciner - Composite
91174
Industrial Soil - Composite
91175
Potato Deep Frying - Composite
91176
Sea Salt - Composite
pg. 36
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P_NUMBER
NAME
91177
Sludge Combustion - Composite
91178
Lead Production - Composite
91179
Steel Desulfurization - Composite
91180
Auto Body Shredding - Composite
91181
Ammonium Sulfate Production - Composite
91182
Inorganic Fertilizer - Composite
91183
Boric Acid Manufacturing - Composite
The weight percent value of each species included in the composite profile is based on the median weight
percent value available from the individual profiles upon which the composite profile is based. For some
source categories (e.g., paved road dust), composite profiles are created hierarchically by forming a
"subcomposite" profile based on profiles that are measured from very similar source tests (e.g., Central
California road dust) and then computing a composite based on the median of the subcomposite profiles. The
median is chosen over the mean to help mitigate possible large errors stemming from the presence of outlier
samples and measurements (Reff et al., 2009). Null values in the individual profiles are treated as "no data
available" and are excluded from determining the median value for the composite profile. Zero values in the
individual profiles are assumed to mean that the weight percent value for a species is zero and is included in
determining the median value for the composite profile. OC and EC composite values are calculated by the
following method to account for differing analytical methods:
1. Prior to profile compositing, the OC and EC fractions are summed to calculate TC for each source
profile.
2. The mean OC, mean EC, and mean TC values are calculated for each source category. If any
SPECIATE profiles in a source category measured carbon using a TOR method, then only those
profiles are included in the mean calculations. If no profiles in the category measured carbon by TOR,
then all profiles are used to calculate mean OC, EC, and TC values.
3. Two ratios are calculated using the above mean values for each source category: OC:TC and EC:TC.
4. "Carbon method corrected" OC and EC values are calculated for each SPECIATE profile by
multiplying the source category specific OC:TC and EC:TC ratios against the original TC values of
each source profile.
5. The medians of these "Carbon method corrected" OC and EC values in each source category are taken
as the final value for the composite profile of each source category.
In addition to PM composite profiles, there are a set of composite TOG profiles (95325 - 95333, 95398 -
95408, 95417 - 95428) added to SPECIATE 4.5. Profiles 95325 (Chemical manufacturing industry wide
composite) and 95326 (Pulp and paper industry wide composite) are composites based on the median of each
species and re-normalized by the sum of species (EPA Work Assignment WA 2-02). Profiles 95398 and
95399 - 95408 are a set of composite profiles representing oil and natural gas production industry in Colorado
and California, respectively. These oil and natural gas production industry composites are based on the mean
of individual profiles in the same emission source type (e.g., oil well tanks), because some of them only have
two to five individual profiles and no meaningful median composites can be calculated. For the case of Profile
pg.37
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95398, it was found that the compositions are very comparable when they are based on median and mean. This
is because the sample size (27 individual profiles) is relatively large and their compositions are similar.
Composite TOG profile numbers 95417 - 95420 are based on individual TOG profiles reported by oil
production companies in the EPA Region 8 Tribal Minor Source Registration database. Individual profiles of
the same source type (e.g., oil tank battery vent gas) are weighted by respective company oil or natural gas
production rate to calculate the composite profile (e.g., Profile 95419) to represent the "Oil Field - Condensate
Tank Battery Vent Gas" in Uinta Basin, Utah.
Profiles 95421 - 95428 are composite TOG profiles based on reviews of the current state of knowledge
regarding the chemical composition of emissions and emission factors for prescribed burning and wildfires in
United States (Urbanski, 2014).
N. Molecular Weights
The SPECIATE 4.5 database contains a SPECIE PROPERTIES table that includes 2,602 unique species (both
individual compounds and mixtures). Since SPECIATE 4.5 includes all profiles from SPECIATE 3.2, the
molecular weights (MWs) as well as other species information are included in the SPECIATE 4.5 database.
The MWs for new species are obtained from the EPA's SRS database. If the MW for a species is not available
in the SRS, then internet search engines are utilized to look for a MW. Alternatively, the molecular weight
from the same class of compounds is applied. For example, Species ID 2624 (l,4-Dimethyl-2-
ethylcyclohexane), the molecular weight of l,3-Dimethyl-2-ethylcyclohexane is used. If a MW cannot be
identified for a species, a default average MW (i.e., 137.19 grams/mole) is assumed. This default MW is
recommended by Dr. William Carter of University of California at Riverside who uses the value to process
input files for air quality modeling.
O. Quality Assurance Project Plan
A "SPECIATE 4.0 Quality Management Plan/Quality Assurance Project Plan" was developed at the
beginning of the SPECIATE update project, and has been updated for SPECIATE 4.4 to document changes in
quality assurance/quality control responsibilities and refinements to procedures. The updated QAPP was used
as is for SPECIATE 4.5. This document is available on EPA's SPECIATE webpage.
P. Protocol for Revising Speciation Profiles in a Published Version of the SPECIATE
Database
A new and important part of the SPECIATE project is how to revise the database if a profile becomes outdated
or an error is discovered in a profile's underlying data. As the Workgroup continues to add new source profiles
and improve the functions and quality of the database, the Workgroup has identified source profiles with
incorrect weight percent and/or compound entries. For example, there have been errors discovered in the
laboratory reported data that were used for SPECIATE. Since some of those problematic profiles were used in
past modeling and/or emission inventory assessments, the Workgroup recommends not changing or removing
any numbers from previously published SPECIATE versions. The Workgroup's reason is that the numbers,
regardless of accuracy, have been used in modeling and elsewhere and it would be impossible to change all of
the published literature and unpublished decisions. The consensus recommendation is that a notation should be
included in the database where profiles have changed subsequent to their original publication in SPECIATE.
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Final Report
Below are the changes and notes that are made to the SPECIATE database, once it is confirmed with the data
sources that a profile(s) is incorrect.
1. A note indicating the errors and replacing profile numbers is added in the NOTES field in the
GASPROFILE or PMPROFILE tables;
2. The note is then documented in the REVISIONLIST table that records all changes made to the
database. (Since this table is not part of SPECIATE database, it is posted on SharePoint for internal use
only by the Workgroup. It is also available from the EPA work assignment manager Mike Kosusko);
and
3. The corrected profile is added to the database and assigned the original profile number, e.g., profile
number 4567, with an alpha notation like 4567a and further refinements with b, c, d, and so on.
pg. 39
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Final Report
CHAPTER V. Source Profile Preparation Methods
Chemical speciation data of air pollution sources are typically provided in one of three common formats -
weight percent format, emission factor format, or weight percent of carbon. The methods used to prepare
speciation profiles for SPECIATE depend upon the format of the speciated data as described below:
• Weight percent format - both CARB and DRI speciated datasets are provided in weight percent format,
which only need to be augmented with profile metadata to support the new SPECIATE tables
described above (i.e., keywords, documentation, analytical and sampling methods, profile quality
ratings, pollution source descriptions, etc.). EPA gasoline and diesel profiles are also available in
weight percent format, and therefore undergo the same processing procedures as CARB and DRI
profiles, except that oxygenates (ethanol, MTBE, and TAME) are adjusted based on response factors
by GC/FID (Lewis, 2004) as described in subsection H. After applying corrections, the fuels profiles
are normalized to 100%.
• Emission factor format - EPA foliar fuels speciation data and speciation data from the California
Institute of Technology are available as emission factors (e.g., mg/kilogram of biomass burned,
mg/kilometer traveled, and mg/kilogram of meat cooked). For each source type, emission factors of all
speciated compounds and unidentified species (when available) are summed to obtain the total VOC or
TOG emission factors. The individual species emission factors are then divided by the total emission
factors and multiplied by 100 to convert to weight percent. The normalization bases of VOC or TOG
can sometimes be measured with instruments and analytical methods that are different from those used
to determine speciation. For cases when the reported VOC or TOG normalization bases are larger than
the sum of speciated mass, the remaining unidentified species mass (called "Unknown") is added to the
profile to generate the total VOC or TOG. Part of the discrepancy is due to the fact that different
analytical methods applied in each speciation sample are more accurate for certain sets of compounds
than others. Also note that, since the unidentified species are unknown, their masses are often not
quantifiable. The unidentified compounds are usually unresolved mixtures with GC.
• Weight percent of carbon format - few speciation data sets are reported in weight percent of carbon,
instead of the entire molecule. Using ethane (C2H6) as an example, the mass from the two carbons was
reported, but not for hydrogen atoms. The carbon mass is converted to account for the whole molecule
mass by [Wt. C% x ethane molecular weight (30.07)] ^ [2 x carbon molecular weight (12.01)]. After
converting all compounds, the entire profile is normalized by the sum of converted weight percent.
In some instances, organic compounds in PM are also speciated. These organic species are divided by PM
mass, as is done for other ions and elements in PM. For PM profiles, PM-associated organic species mass is
not included in the PM mass to avoid double-counting with OC (i.e., carbon atoms in each organic species are
already represented in the OC fraction). After obtaining the weight fraction for each species, this value is
multiplied by 100 to obtain weight percent.
After converting speciated data to weight percent, the profile information listed in the data dictionary (e.g.,
CAS number, keywords, documentation, analytical and sampling methods, profile quality ratings, pollution
source descriptions) is added based on the information provided in the original reference(s) for each profile
(e.g., peer-reviewed papers and technical reports).
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Final Report
Many organic species have several chemical names (e.g., methylene chloride and dichloromethane). The
database has been revised to be consistent with the nomenclature used commonly within the United States
(e.g., from sources such as chemfinder.com). These chemical names are consistent with those available in the
EPA Substance Registry Services (SRS) database
(https://iaspub.epa.gov/sor i nternet/regi stry/substreu/searchandretri eve/ substancesearch/search .do). In
addition, errors have been found for some of the CAS numbers provided in the original speciation data.
Therefore, CAS numbers are checked by a program following the design of the CAS numbering system (CAS,
2004).
Limitations of SPECIATE 4.5 include the following:
1. "Unknown," "Unidentified," and "Undefined VOC" species - In SPECIATE 4.1 and earlier versions
(i.e., 3.2 and 4.0), several profiles contain unspeciated mass identified as "Unknown," "Unidentified,"
or "Undefined VOC". In some cases, more than one of these terms appears in the same profile. Users
should know that all three terms represent the mass associated with unidentified species in the profile.
For SPECIATE 4.2 and later versions of SPECIATE, the Workgroup decided to use one term,
"Unknown," to identify unspeciated mass in profiles. The database has been revised accordingly.
2. Use of profiles with low quality ratings - Profile quality ratings are dictated by the age or vintage of
the data (V-rating) and number of samples (D-rating). For example, Profiles #4526 - 4534 are gasoline
vapor profiles collected in 2004. Even though, these profiles are relatively recent and provide
comprehensive coverage of species, they have an overall quality rating of "E" because they are based
on one sample. Note that gasoline fuels of different grades and produced by different refineries can
have a wide range of gasoline vapor compositions. For example, in the same set of profiles (#4526 -
4534), n-butane varies from 22% to 41%. Therefore, the species composition of the individual profiles
can vary significantly even though samples were collected from the same area in the same month. In
this case, a composite profile based on those profiles (#4526 - 4534) is recommended. Low quality
rating profiles should be used with caution since the low rating often indicates source sectors for which
profiles are based on a single sample.
P9- 41
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Final Report
CHAPTER VI. References
Allen, 2004: Allen, D., University of Texas at Austin, e-mail communication with the SPECIATE Workgroup,
August 8, 2004.
Beck, 2004: Beck, L., U.S. EPA, personal communication (internal data collection effort) with Ying Hsu, E.H.
Pechan & Associates, Inc., 2004.
Brantley et al., 2015, Brantley, H. L., Thoma, E. D., and Eisele A. P., Assessment of VOC and HAP
Emissions from Oil and Natural Gas Well Pads Using Mobile Remote and Onsite Direct
Measurements, Journal of the Air & Waste Management Association, DOI: 10.1080/10962247.
Cantu, 2003: Cantu, G., Speciation of Texas Point Source VOC Emissions for Ambient Air Quality Modeling,
Texas Commission on Environmental Quality,
2003, http://www.tceq.texas.gov/assets/public/implementation/air/rules/stakeholder/hrvoc/2004-02-
06/voc-speciation-report.pdf accessed July 2013.
CARB, 1991: Censullo, A.C., Development of Species Profiles for Selected Organic Emission Sources,
California Polytechnic State University, California Air Resources Board Contract A832-059, April 30,
1991.
CARB, 2003: Speciation Profiles Used in ARB Modeling, California Air Resources
Board, http://www.arb. ca. gov/ei/sped ate/ speciate. htm, accessed July 2013.
Carter, 2004: Carter, W., University of California at Riverside, personal communication with Ying Hsu, E.H.
Pechan & Associates, Inc., June 23, 2004.
Chow et al., 1999: Chow, J.C., Watson, J.G., Green, M.C., Lowenthal, D.H., DuBois, D.W., Kohl, S.D.,
Egami, R.T., Gillies, J.A., Rogers, C.F., Frazier, C.A., Cates, W., Middle- and Neighborhood-Scale
Variations of PMio Source Contributions in Las Vegas, Nevada, Journal of the Air & Waste
Management Association, 49: 641-654, 1999.
Chow, 2004: Chow, J.C., Desert Research Institute, personal communication with the SPECIATE Workgroup,
August 18, 2004.
CRC, 2003: Gautam, M. et al., Heavy-Duty Vehicle Chassis Dynamometer Testing for Emissions Inventory,
Air Quality Modeling, Source Apportionment and Air Toxics Emissions Inventory, Phase I, prepared
by West Virginia University Research Corporation for the Coordinating Research Council, Inc., CRC
E-55/59, 2003, http://www.crcao.org/reports/recentstudies2003/E-7a%20reports/E-55-
59%20Phase%20I%20Report.pdf accessed July 2013.
CRC, 2005: Gautam, M. et al., Heavy-Duty Vehicle Chassis Dynamometer Testing for Emissions Inventory,
Air Quality Modeling, Source Apportionment and Air Toxics Emissions Inventory, Phase II, prepared
by West Virginia University Research Corporation for the Coordinating Research Council, Inc., CRC
E-55/59-2, 2005, http://www.crcao.org/reports/recentstudies2005/E55-
2%20FINAL%20REPQRT%20071205 ,pdf. accessed July 2013.
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CRC, 2007: Gautam, M. et al., Heavy-Duty Vehicle Chassis Dynamometer Testing for Emissions Inventory,
Air Quality Modeling, Source Apportionment and Air Toxics Emissions Inventory, Final Report, CRC
E-55/59, prepared by West Virginia University Research Corporation for the Coordinating Research
Council, Inc., 2007, http://www.crcao.com/reports/recentstudies20Q7/E-55-59/E-
55 59 Final Report 23AUG2007.pdf accessed July 2013.
CRC, 2011: Coordinating Research Council, Inc., Exhaust and Evaporative Emissions Testing of Flexible-
Fuel Vehicles, CRC Report CRC-E-80, August
2011, http://www.crcao.org/publications/emissions/index.html accessed July 2013.
DOE, 2005: Gasoline/Diesel PM Split Study: Source and Ambient Sampling, Chemical Analysis, and
Apportionment Phase, Draft Final Report, prepared by E.M. Fujita, B. Zielinska, W.P. Arnott, D.E.
Campbell, L. Reinhart, J.C. Sagebiel and J.C. Chow, Desert Research Institute for the National
Renewable Energy Laboratory, September 30, 2005, NREL Subcontract Nos. ACL-1-31046-01 and
ACL-1-31046-02,
ftp://ftp.arb.ca. gov/internal/PTSD/Gasoline%20Diesel%20PM%20Split%20Studv/dri%20&%20uwm
%20final%20reports/dri%20draft%20final%20report.pdf. accessed July 2013.
Eklund et al., 1998: Eklund, B., Anderson, E.P., Walker, B.L., and Burrows, D.B., Characterization of Landfill
Gas Composition at the Fresh Kills Municipal Solid-Waste Landfill, Environmental Science and
Technology, 32: 2233-2237, 1998.
EPA, 1984: Bennett, R.L., Knapp, K.T., Duke, D.L., 1984. Chemical and Physical Characterization of
Municipal Sludge Incinerator Emissions, U.S. Environmental Protection Agency, Research Triangle
Park, NC. EPA-600/S3-84-047.
EPA, Tribal Minor Source Registration Data - Uintah & Ouray Indian Reservation, sent by Cindy Beeler of
U.S. Environmental Protection Agency Region 8, Energy Advisor, Office of the Regional
Administrator on 8/10/2015.
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Final Report
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Final Report
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pg. 46
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Final Report
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pg.47
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Final Report
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pg. 48
-------
Final Report
APPENDIX A. Listing of New Profiles Added to the SPECIATE 4.5 Database
See Table A-l on next page.
pg. A-1
-------
Final Report
Table A-1. List of New Organic Gas Profiles Added to the SPECIATE 4.5 Database
Profile
Number
Name
Profile
Type
Keyword
95077
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95078
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95079
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95080
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95081
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95082
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95083
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95084
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95085
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95086
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95087
Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95087a
Composite - Oil Field - Oil Tank Battery Vent Gas
G
Oil Field; Oil Tank Battery Vent Gas
95088
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95089
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95090
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95091
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95092
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95093
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95094
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95095
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95096
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95097
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95098
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95099
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95100
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95101
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
pg. A-2
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95102
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95103
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95104
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95105
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95106
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95107
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95108
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95109
Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95109a
Composite - Oil Field - Condensate Tank Battery Vent Gas
G
Oil Field; Condensate Tank Battery Vent Gas
95111
Gasoline Exhaust - Tunnel Study
G
Gasoline Exhaust; Tunnel Study
95112
Unburned Gasoline Exhaust - Tunnel Study
G
Unburned Gasoline Exhaust; Tunnel Study
95113
Diesel Exhaust - Tunnel Study
G
Diesel Exhaust; Tunnel Study
95114
Unburned Diesel Exhaust - Tunnel Study
G
Unburned Diesel Exhaust; Tunnel Study
95115
Gasoline - California composite
G
Gasoline
95116
Gasoline - Bakersfield
G
Gasoline
95117
Gasoline - Berkeley
G
Gasoline
95118
Gasoline - Pasadena
G
Gasoline
95119
Gasoline - Sacramento
G
Gasoline
95120
Diesel - California composite
G
Diesel
95121
Diesel - Bakersfield
G
Diesel
95122
Diesel - Berkeley
G
Diesel
95123
Diesel - Pasadena
G
Diesel
95124
Diesel - Sacramento
G
Diesel
95129
Residential Wood Combustion - Pellet Stove
G
Pellet Stove; Residential Wood Combustion
95130
Residential Wood Combustion - Pellet Stove
G
Pellet Stove; Residential Wood Combustion
95131
Residential Wood Combustion - Pellet Stove
G
Pellet Stove; Residential Wood Combustion
95132
Residential Wood Combustion - Pellet Stove
G
Pellet Stove; Residential Wood Combustion
95133
Residential Wood Combustion - Wood Stove
G
Wood Stove; Residential Wood Combustion
pg. A-3
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95134
Residential Wood Combustion - Wood Stove
G
Wood Stove; Residential Wood Combustion
95135
Residential Wood Combustion - Wood Stove
G
Wood Stove; Residential Wood Combustion
95136
Residential Wood Combustion - Wood Stove
G
Wood Stove; Residential Wood Combustion
95137
Residential Wood Combustion - Wood Stove
G
Wood Stove; Residential Wood Combustion
95138
Residential Wood Combustion - Wood Stove
G
Wood Stove; Residential Wood Combustion
95156
Residential Wood Combustion - Wood Stove - Maple
G
Wood Stove; Residential Wood Combustion; Maple
95157
Residential Wood Combustion - Wood Stove - Spruce
G
Wood Stove; Residential Wood Combustion; Spruce
95158
Residential Wood Combustion - Wood Stove - Maple
G
Wood Stove; Residential Wood Combustion; Maple
95159
Residential Wood Combustion - Wood Stove - Spruce
G
Wood Stove; Residential Wood Combustion; Spruce
95160
Prescribed Burning - Flaming Stage
G
Prescribed Burning; Flaming Stage
95161
Prescribed Burning - Smoldering Stage
G
Prescribed Burning; Smoldering Stage
95211
Oil and Gas Extraction Field
G
Oil and Gas Extraction Field
95212
Vehicle Exhaust - Tunnel Study - Fleet Speed 45 km/hr
G
Vehicle Exhaust; Tunnel Study; Fleet Speed 45 km/hr
95213
Vehicle Exhaust - Tunnel Study - Fleet Speed 65 km/hr
G
Vehicle Exhaust; Tunnel Study; Fleet Speed 65 km/hr
95214
Vehicle Exhaust - Tunnel Study - Fleet Speed 75 km/hr
G
Vehicle Exhaust; Tunnel Study; Fleet Speed 75 km/hr
95215
Vehicle Exhaust - Tunnel Study - Fleet Speed 85 km/hr
G
Vehicle Exhaust; Tunnel Study; Fleet Speed 85 km/hr
95216
Vehicle Exhaust - Tunnel Study - Gasoline - Diesel - LGP
G
Vehicle Exhaust; Tunnel Study; Gasoline-Diesel-LPG Vehicles
95217
Vehicle Exhaust - Tunnel Study - Gasoline and Diesel Vehicles
G
Vehicle Exhaust; Tunnel Study; Gasoline and Diesel Vehicles
95218
Vehicle Exhaust - Tunnel Study - Gasoline and Diesel Vehicles
G
Vehicle Exhaust; Tunnel Study; Gasoline and Diesel Vehicles
95221
Petroleum operations - extraction, processing, transmission
G
Petroleum Operations
95222
Poultry Production - Empty Building
G
Poultry Production
95223
Poultry Production - Average of Production Cycle
G
Poultry Production
95224
Poultry Production - Production Cycle
G
Poultry Production
95225
Poultry Production - Production Cycle
G
Poultry Production
95226
Poultry Production - Production Cycle
G
Poultry Production
95227
Heavy Duty Diesel Exhaust - Euro3
G
Heavy Duty Diesel Exhaust; Euro3
95228
Heavy Diesel Exhaust - biodiesel fuels - Euro3
G
Heavy Diesel Exhaust; biodiesel fuels; Euro3
95229
Light Duty Diesel Exhaust - diesel and biodiesel - Euro4
G
Light Duty Diesel Exhaust; diesel and biodiesel; Euro4
pg. A-4
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95230
Light Duty Gasoline Exhaust - Euro3
G
Light Duty Gasoline Exhaust; Euro3
95231
Moped - 2-stroke - PreEuro
G
Moped; 2-stroke; PreEuro
95232
Moped - 2-stroke - Eurol
G
Moped; 2-stroke; Eurol
95233
Moped - 2-stroke - Eurol
G
Moped; 2-stroke; Eurol
95234
Moped - 2-stroke - Eurol - LPG
G
Moped; 2-stroke; Eurol; LPG
95235
Moped - 2-stroke - Euro2
G
Moped; 2-stroke; Euro2
95236
Moped - 2-stroke - Euro2
G
Moped; 2-stroke; Euro2
95237
Moped - 2-stroke - Euro2
G
Moped; 2-stroke; Euro2
95238
Light Duty Gasoline Exhaust - Euro4 - FLEX Car - E0 and E10 gasoline
G
Light Duty Gasoline Exhaust; Euro4; FLEX Car; E0 and E10 gasoline
95239
Light Duty Gasoline Exhaust - Euro4 - FLEX Car - E85 gasoline
G
Light Duty Gasoline Exhaust; Euro4; FLEX Car; E85 gasoline
95240
Beef Cattle Farm and Animal Waste
G
Beef Cattle Farm; Animal Waste
95241
Swine Farm and Animal Waste
G
Swine Farm; Animal Waste
95242
Poultry Farm - Hen and Animal Waste
G
Poultry Farm; Animal Waste
95243
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95244
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95245
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95246
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95247
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95248
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95249
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95250
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95251
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95252
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95253
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95254
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95255
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95256
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95257
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
pg. A-5
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95258
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95259
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95260
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95261
Natural Gas - Untreated - Oil and Gas Separator
G
Natural Gas; Oil and Gas Separator
95262
Natural Gas - Untreated - Oil and Gas Separator
G
Natural Gas; Oil and Gas Separator
95263
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95264
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95265
Natural Gas - Untreated - Tank Battery of Oil Well
G
Natural Gas; Tank Battery of Oil Well
95266
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95267
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95268
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95269
Natural Gas - Untreated - Tank for Several Oil Wells
G
Natural Gas; Tank for Several Oil Wells
95270
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95271
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95272
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95273
Natural Gas - Untreated - Oil and Gas Separator
G
Natural Gas; Oil and Gas Separator
95274
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95275
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95276
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95277
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95278
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95279
Natural Gas - Untreated-Well Casing of Oil Well
G
Natural Gas; Well Casing of Oil Well
95280
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95281
Natural Gas - Untreated - Oil and Gas Separator
G
Natural Gas; Oil and Gas Separator
95282
Natural Gas - Untreated-Well Casing of Oil Well
G
Natural Gas; Well Casing of Oil Well
95283
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95284
Natural Gas - Untreated - Oil and Gas Separator
G
Natural Gas; Oil and Gas Separator
95285
Natural Gas - Untreated - Gas Well with Condensate
G
Natural Gas; Gas Well with Condensate
pg. A-6
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95286
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95287
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95288
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95289
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95290
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95291
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95292
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95293
Natural Gas - Untreated - Tank for Several Oil Wells
G
Natural Gas; Tank for Several Oil Wells
95294
Natural Gas - Untreated - Oil and Gas Separator
G
Natural Gas; Oil and Gas Separator
95295
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95296
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95297
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95298
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95299
Natural Gas - Untreated - Oil and Condensate Well
G
Natural Gas; Oil and Condensate Well
95300
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95301
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95302
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95303
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95304
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95305
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95306
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95307
Natural Gas - Untreated - Gas and Condensate Well
G
Natural Gas; Gas and Condensate Well
95308
Natural Gas - Untreated - Oil Well Separator
G
Natural Gas; Oil Well Separator
95309
Natural Gas - Untreated - Gas Well Separator
G
Natural Gas; Gas Well Separator
95310
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95311
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95312
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95313
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
pg. A-7
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95314
Natural Gas - Untreated - Oil Well Separator
G
Natural Gas; Oil Well Separator
95315
Natural Gas - Untreated - Gas Well
G
Natural Gas; Gas Well
95316
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95317
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95318
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95319
Natural Gas - Untreated - Oil Well
G
Natural Gas; Oil Well
95320
Light Duty Diesel Exhaust - Phase 1
G
Light Duty Diesel Exhaust; Phase 1
95321
Light Duty Diesel Exhaust - Phase 2
G
Light Duty Diesel Exhaust; Phase 2
95322
Light Duty Diesel Exhaust - Phase 3
G
Light Duty Diesel Exhaust; Phase 3
95323
Light Duty Diesel Exhaust - FTP-75 Cycle
G
Light Duty Diesel Exhaust; FTP-75 Cycle
95324
Light Duty Diesel Exhaust - Highway Fuel Economy Cycle
G
Light Duty Diesel Exhaust; Highway Fuel Economy Cycle
95325
Chemical Manufacturing Industry Wide Composite
G
Composite Profile; Chemical Manufacturing
95326
Pulp and Paper Industry Wide Composite
G
Composite Profile; Pulp and Paper Mills
95327
Spark-Ignition Exhaust Emissions from 2-stroke off-road engines - Non-oxygenated gasoline
G
Spark-Ignition Exhaust; 2-stroke off-road engines; Non-oxygenated gasoline; All terrain
vehicle; Nonroad motorcycle
95328
Spark-Ignition Exhaust Emissions from 2-stroke off-road engines - E10 ethanol gasoline
G
Spark-Ignition Exhaust; 2-stroke off-road engines; E10 ethanol gasoline; All terrain vehicle;
Nonroad motorcycle
95329
Spark-Ignition Exhaust Emissions from 4-stroke off-road engines - Non-oxygenated gasoline
G
Spark-Ignition Exhaust; 4-stroke off-road engines; Non-oxygenated gasoline; Lawn and
garden engines
95330
Spark-Ignition Exhaust Emissions from 4-stroke off-road engines - E10 ethanol gasoline
G
Spark-Ignition Exhaust; 4-stroke off-road engines; E10 ethanol gasoline; Lawn and garden
engines
95331
Diesel Exhaust Emissions from Pre-Tier 1 Off-road Engines
G
Diesel Exhaust Emissions; Pre-Tier 1 Off-road Engines
95332
Diesel Exhaust Emissions from Tier 1 Off-road Engines
G
Diesel Exhaust Emissions; Tier 1 Off-road Engines
95333
Diesel Exhaust Emissions from Tier 2 Off-road Engines
G
Diesel Exhaust Emissions; Tier 2 Off-road Engines
95335
Diesel Exhaust - Heavy-heavy duty truck - 2011 model year
G
Diesel Exhaust; Heavy-heavy duty truck; 2011 model year; Ultra-low sulfur diesel
95336
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 1
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95337
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 2
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95338
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 3
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95339
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 5
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95340
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 6
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
pg. A-8
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95341
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 9
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95342
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 10
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95343
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 11
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95344
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 12
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95345
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 13
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95346
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 14
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95347
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 15
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95348
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 16
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95349
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 17
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95350
Oil and Gas Production - Untreated Natural Gas, Uinta Basin-Operator 18
G
Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive leaks, pneumatic
controllers; pneumatic pumps; Uinta Basin
95351
Oil and Gas Production - Oil Tank Vent Gas, Uinta Basin-Operator 1
G
Oil and Gas Production; Oil Tank Vent Gas; Uinta Basin
95352
Oil and Gas Production - Oil Tank Vent Gas, Uinta Basin-Operator 2
G
Oil and Gas Production; Oil Tank Vent Gas; Uinta Basin
95353
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 4
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95354
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 5
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95355
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 6
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95356
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 7
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95357
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 8
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95358
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 9
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95359
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 11
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95360
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 12
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95361
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 14
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95362
Oil and Gas Production - Oil Tank Vent Gas, Uinta Basin-Operator 15
G
Oil and Gas Production; Oil Tank Vent Gas; Uinta Basin
95363
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 17
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95364
Oil and Gas Production - Condensate Tank Vent Gas, Uinta Basin-Operator 18
G
Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95365
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95366
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
pg. A-9
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95368
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95370
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95371
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95372
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95373
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95374
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95375
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95377
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95379
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95380
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95381
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95383
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95384
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95385
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95386
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95387
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95388
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95389
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95390
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95391
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95392
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95394
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95395
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95396
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95397
Oil and Natural Gas Production - Condensate Tank
G
Oil and Natural Gas Production; Condensate Tank
95398
Composite Profile - Oil and Natural Gas Production - Condensate Tanks
G
Composite Profile; Oil and Natural Gas Production; Condensate Tank
95399
Composite Profile - Oil Field - Wells
G
Composite Profile; Oil Wells
95400
Composite Profile - Oil Field - Tanks
G
Composite Profile; Oil Well Tanks
pg. A-10
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95401
Composite Profile - Oil Field - Separators
G
Composite Profile; Oil Field; Separators
95402
Composite Profile - Oil Field - Vapor Recovery
G
Composite Profile; Oil Field; Vapor Recovery
95403
Composite Profile - Gas Wells
G
Composite Profile; Gas Wells
95404
Composite Profile - Oil Wells
G
Composite Profile; Oil Wells
95405
Composite Profile - Oil and Gas Separators
G
Composite Profile; Oil and Gas Separators
95406
Composite Profile - Oil Well Tanks
G
Composite Profile; Oil Well Tanks
95407
Composite Profile - Oil Well Casings
G
Composite Profile; Oil Well Casings
95408
Composite Profile - Gas and Oil Condensate Wells
G
Composite Profile; Gas and Oil Condensate Wells
95409
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 6
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95410
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 9
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95411
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 10
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95412
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 11
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95413
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 12
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95414
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 15
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95415
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 17
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95416
Oil and Gas Production - Glycol Dehydrator, Uinta Basin-Operator 18
G
Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95417
Oil and Gas Production - Composite Profile - Untreated Natural Gas, Uinta Basin
G
Composite Profile; Natural Gas; Untreated; Raw Gas; Oil and Gas Production; fugitive
leaks, pneumatic controllers; pneumatic pumps; Uinta Basin
95418
Oil and Gas Production - Composite Profile - Condensate Tank Vent Gas, Uinta Basin
G
Composite Profile; Oil and Gas Production; Condensate Tank Vent Gas; Uinta Basin
95419
Oil and Gas Production - Composite Profile - Oil Tank Vent Gas, Uinta Basin
G
Composite Profile; Oil and Gas Production; Oil Tank Vent Gas; Uinta Basin
95420
Oil and Gas Production - Composite Profile - Glycol Dehydrator, Uinta Basin
G
Composite Profile; Oil and Gas Production; Glycol Dehydrator; Uinta Basin
95421
Composite Profile - Prescribed fire southeast conifer forest
G
Composite Profile; Prescribed fire southeast conifer forest
95422
Composite Profile - Prescribed fire southwest conifer forest
G
Composite Profile; Prescribed fire southwest conifer forest
95423
Composite Profile - Prescribed fire northwest conifer forest
G
Composite Profile; Prescribed fire northwest conifer forest
95424
Composite Profile - Wildfire northwest conifer forest
G
Composite Profile; Wildfire northwest conifer forest
95425
Composite Profile - Wildfire boreal forest
G
Composite Profile; Wildfire boreal forest
95426
Composite Profile - Residual smoldering combustion - Stumps and Logs
G
Composite Profile; Residual smoldering combustion; Stumps and Logs
95427
Composite Profile - Residual smoldering combustion - Temperate forest duff/organic soil
G
Composite Profile; Residual smoldering combustion; Temperate forest duff/organic soil
95428
Composite Profile - Residual smoldering combustion - Boreal forest duff/organic soil
G
Composite Profile; Residual smoldering combustion; Boreal forest duff/organic soil
pg. A-11
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
DJFLA_R
Oil and Gas -Denver-Julesburg Basin Flashing Gas Composition for Condensate Tanks
G
Flash gas for condensate tank
DJVNT_R
Oil and Gas -Denver-Julesburg Basin Produced Gas Composition from Non-CBM Gas Wells
G
Produced Gas
FLR70
Natural Gas Flare Profile with DRE <80%
G
Natural Gas Flare
FLR88
Natural Gas Flare Profile with DRE >80-95%
G
Natural Gas Flare
FLR97
Natural Gas Flare Profile with DRE >95-98%
G
Natural Gas Flare
FLR99
Natural Gas Flare Profile with DRE >98%
G
Natural Gas Flare
PNC01_R
Oil and Gas -Piceance Basin Produced Gas Composition from Non-CBM Gas Wells
G
Produced Gas
PNC02_R
Oil and Gas -Piceance Basin Produced Gas Composition from Oil Wells
G
Produced Gas; Oil Wells
PNC03_R
Oil and Gas -Piceance Basin Flash Gas Composition for Condensate Tank
G
Flash gas for condensate tank
PNCDH
Oil and Gas Production - Composite Profile - Glycol Dehydrator, Piceance Basin
G
Oil and Gas Production; Glycol Dehydrator; Piceance Basin
PRBCB_R
Oil and Gas -Powder River Basin Produced Gas Composition from CBM Wells
G
Coalbed Methane (CBM); Produced Gas
PRBCO_R
Oil and Gas -Powder River Basin Produced Gas Composition from Non-CBM Wells
G
Produced Gas
PRM01_R
Oil and Gas -Permian Basin Produced Gas Composition for Non-CBM Wells
G
Produced Gas
SSJCB_R
Oil and Gas -South San Juan Basin Produced Gas Composition from CBM Wells
G
Coalbed Methane (CBM); Produced Gas
SSJCO_R
Oil and Gas -South San Juan Basin Produced Gas Composition from Non-CBM Gas Wells
G
Produced Gas
SWFLA_R
Oil and Gas -SW Wyoming Basin Flash Gas Composition for Condensate Tanks
G
Flash gas for condensate tank
SWVNT_R
Oil and Gas -SW Wyoming Basin Produced Gas Composition from Non-CBM Wells
G
Produced Gas
UNT01_R
Oil and Gas -Uinta Basin Produced Gas Composition from CBM Wells
G
Coalbed Methane (CBM); Produced Gas
UNT02_R
Oil and Gas -Uinta Basin Produced Gas Composition from Non-CBM Wells
G
Produced Gas
UNT03_R
Oil and Gas -Uinta Basin Flash Gas Composition from Oil Tanks
G
Flash gas for oil tank
UNT04_R
Oil and Gas -Uinta Basin Flash Gas Composition from Condensate Tanks
G
Flash gas for condensate tank
WRBCO
R
Oil and Gas -Wind River Basin Produced Gas Composition from Non-CBM Gas Wells
G
Produced Gas
pg. A-12
-------
Final Report
Table A-2. Summary of New PM Profiles Added to the SPECIATE 4.5 Database
Profile
Number
Name
Profile
Type
Keyword
95000
Indoor Open Wood Cooking Fire
P
Indoor Open Wood Cooking Fire
95001
Indoor Open Wood Cooking Fire
P
Indoor Open Wood Cooking Fire
95002
Indoor Open Wood Cooking Fire
P
Indoor Open Wood Cooking Fire
95003
Indoor Open Wood Cooking Fire
P
Indoor Open Wood Cooking Fire
95004
Indoor Open Wood Cooking Fire
P
Indoor Open Wood Cooking Fire
95005
Garbage Burning
P
Garbage Burning
95006
Garbage Burning
P
Garbage Burning
95007
Garbage Burning
P
Garbage Burning
95008
Brick Making Kiln
P
Brick Making Kiln
95009
Brick Making Kiln
P
Brick Making Kiln
95010
Charcoal Making Kiln
P
Charcoal Making Kiln
95011
Charcoal Making Kiln
P
Charcoal Making Kiln
95012
Barley Stubble Field Burning
P
Barley Stubble Field Burning
95013
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E0 gasoline; (-7 oC)
95014
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E0 gasoline; (-7 oC)
95015
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E0 gasoline; (-7 oC)
95016
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E0 gasoline; (-7 oC)
95017
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92UDC cycle; cold start (phase 1); E10 gasoline; (-7 oC)
95018
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E10 gasoline; (-7 oC)
95019
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E10 gasoline; (-7 oC)
95020
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E10 gasoline; (-7 oC)
95021
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E85 gasoline; (-7 oC)
95022
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E85 gasoline; (-7 oC)
95023
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E85 gasoline; (-7 oC)
95024
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E85 gasoline; (-7 oC)
pg. A-13
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95025
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E0 gasoline; (24 oC)
95026
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E0 gasoline; (24 oC)
95027
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E0 gasoline; (24 oC)
95028
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; EO gasoline; (24 oC)
95029
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92UDC cycle; cold start (phase 1); E10 gasoline; (24 oC)
95030
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E10 gasoline; (24 oC)
95031
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E10 gasoline; (24 oC)
95032
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E10 gasoline; (24 oC)
95033
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E85 gasoline; (24 oC)
95034
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E85 gasoline; (24 oC)
95035
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E85 gasoline; (24 oC)
95036
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E85 gasoline; (24 oC)
95037
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E0 gasoline; (-7 oC)
95038
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E0 gasoline; (-7 oC)
95039
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E0 gasoline; (-7 oC)
95040
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; EO gasoline; (-7 oC)
95041
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92UDC cycle; cold start (phase 1); E10 gasoline; (-7 oC)
95042
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E10 gasoline; (-7 oC)
95043
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E10 gasoline; (-7 oC)
95044
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E10 gasoline; (-7 oC)
95045
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E85 gasoline; (-7 oC)
95046
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E85 gasoline; (-7 oC)
95047
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E85 gasoline; (-7 oC)
95048
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E85 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E85 gasoline; (-7 oC)
95049
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); EO gasoline; (24 oC)
95050
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); EO gasoline; (24 oC)
95051
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); EO gasoline; (24 oC)
pg. A-14
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95052
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E0 gasoline; (24 oC)
95053
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92UDC cycle; cold start (phase 1); E10 gasoline; (24 oC)
95054
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E10 gasoline; (24 oC)
95055
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E10 gasoline; (24 oC)
95056
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E10 gasoline; (24 oC)
95057
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E85 gasoline; (24 oC)
95058
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E85 gasoline; (24 oC)
95059
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E85 gasoline; (24 oC)
95060
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E85 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E85 gasoline; (24 oC)
95061
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E0 gasoline; (-7 oC)
95062
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E0 gasoline; (-7 oC)
95063
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E0 gasoline; (-7 oC)
95064
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E0 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E0 gasoline; (-7 oC)
95065
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92UDC cycle; cold start (phase 1); E10 gasoline; (-7 oC)
95066
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E10 gasoline; (-7 oC)
95067
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E10 gasoline; (-7 oC)
95068
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E10 gasoline - (-7 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E10 gasoline; (-7 oC)
95069
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; cold start (phase 1); E0 gasoline; (24 oC)
95072
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E0 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E0 gasoline; (24 oC)
95073
Gasoline Exhaust SVOC - LA92 UDC cycle cold start (phase 1) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92UDC cycle; cold start (phase 1); E10 gasoline; (24 oC)
95074
Gasoline Exhaust SVOC - LA92 UDC cycle hot-stabilized phase (phase 2) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; hot-stabilized phase (phase 2); E10 gasoline; (24 oC)
95075
Gasoline Exhaust SVOC - LA92 UDC cycle warm-start transient phase combined with hot-
stabilized phase (phase 34) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; warm-start transient phase combined with hot-
stabilized phase (phase 34); E10 gasoline; (24 oC)
95076
Gasoline Exhaust SVOC - LA92 UDC cycle (phase 1234) - E10 gasoline - (24 oC)
P
Gasoline Exhaust SVOC; LA92 UDC cycle; phase 1234; E10 gasoline; (24 oC)
95125
Gas-fired boiler exhaust
P
Gas-fired boiler exhaust
95126
Gas-fired process heater exhaust
P
Gas-fired process heater exhaust
95127
Gas-fired internal combustion combined cycle/cogeneration plant exhaust
P
Gas-fired internal combustion combined cycle/cogeneration plant exhaust
95128
Institutional boiler exhaust fueled with No. 6 oil
P
Institutional boiler exhaust fueled with No. 6 oil
pg. A-15
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95139
Sewage Sludge Incineration
P
Sewage Sludge Incineration
95140
Sewage Sludge Incineration
P
Sewage Sludge Incineration
95141
Sewage Sludge Incineration
P
Sewage Sludge Incineration
95142
Sewage Sludge Incineration
P
Sewage Sludge Incineration
95143
Municipal Sewage Sludge
P
Sewage Sludge
95144
Municipal Sewage Sludge
P
Sewage Sludge
95145
Municipal Sewage Sludge
P
Sewage Sludge
95146
Municipal Sewage Sludge
P
Sewage Sludge
95147
Biomass Burning - ponderosa pine wood
P
Biomass Burning; ponderosa pine wood
95148
Biomass Burning - ponderosa pine needles
P
Biomass Burning; ponderosa pine needles
95149
Biomass Burning - white pine needles
P
Biomass Burning; white pine needles
95150
Biomass Burning - sagebrush
P
Biomass Burning; sagebrush
95151
Biomass Burning - excelsior
P
Biomass Burning; excelsior
95152
Biomass Burning - Dambo grass
P
Biomass Burning; Dambo grass
95153
Biomass Burning - Montana grass
P
Biomass Burning; Montana grass
95154
Biomass Burning - tundra core
P
Biomass Burning; tundra core
95155
Kerosene combustion soot
P
Kerosene combustion soot
95162
Prescribed Burning
P
Prescribed Burning
95163
Coal Combustion - Fluidized-Bed Incinerator
P
Coal Combustion; Fluidized-Bed Incinerator
95164
Coal Combustion - Fluidized-Bed Incinerator
P
Coal Combustion; Fluidized-Bed Incinerator
95165
Coal Combustion - Fluidized-Bed Incinerator
P
Coal Combustion; Fluidized-Bed Incinerator
95166
Welding Fume - High Heat - UON113/45 Electrode
P
Welding Fume
95167
Welding Fume - High Heat - UON113/45 Electrode
P
Welding Fume
95168
Welding Fume - High Heat - UON113/45 Electrode
P
Welding Fume
95169
Welding Fume - Low Heat - UON113/45 Electrode
P
Welding Fume
95170
Welding Fume - High Heat - ANO-4 Electrode
P
Welding Fume
95171
Welding Fume - High Heat - ANO-4 Electrode
P
Welding Fume
95172
Welding Fume - High Heat - ANO-4 Electrode
P
Welding Fume
pg. A-16
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95173
Welding Fume - Low Heat - ANO-4 Electrode
P
Welding Fume
95174
Welding Fume - High Heat - ANO-4i Electrode
P
Welding Fume
95175
Welding Fume - High Heat - ANO-4i Electrode
P
Welding Fume
95176
Welding Fume - High Heat - ANO-4i Electrode
P
Welding Fume
95177
Welding Fume - Low Heat - ANO-4i Electrode
P
Welding Fume
95178
Coal Combustion - Fly Ash - Anthracite Coal
P
Coal Combustion; Fly Ash; Anthracite Coal; Heating Facility
95179
Coal Combustion - Fly Ash - Anthracite Coal
P
Coal Combustion; Fly Ash; Anthracite Coal; Heating Facility
95180
Coal Combustion - Fly Ash - Anthracite Coal
P
Coal Combustion; Fly Ash; Anthracite Coal; Heating Facility
95181
Coal Combustion - Fly Ash - Anthracite Coal
P
Coal Combustion; Fly Ash; Anthracite Coal; Home Heating
95182
Residential Wood Stove Combustion - White Oak
P
Residential Wood Stove Combustion; White Oak
95183
Residential Wood Stove Combustion - White Oak
P
Residential Wood Stove Combustion; White Oak
95184
Residential Wood Stove Combustion - Red Maple
P
Residential Wood Stove Combustion; Red Maple
95185
Residential Wood Stove Combustion - Sugar Maple
P
Residential Wood Stove Combustion; Sugar Maple
95186
Residential Wood Stove Combustion - Douglas Fir
P
Residential Wood Stove Combustion; Douglas Fir
95187
Residential Wood Stove Combustion - Douglas Fir
P
Residential Wood Stove Combustion; Douglas Fir
95188
Residential Wood Stove Combustion - Loblolly Pine
P
Residential Wood Stove Combustion; Loblolly Pine
95189
Fireplace Wood Combustion - White Oak
P
Fireplace Wood Combustion; White Oak
95190
Fireplace Wood Combustion - Sugar Maple
P
Fireplace Wood Combustion; Sugar Maple
95191
Fireplace Wood Combustion - Black Oak
P
Fireplace Wood Combustion; Black Oak
95192
Fireplace Wood Combustion - American Beech
P
Fireplace Wood Combustion; American Beech
95193
Fireplace Wood Combustion - Black Cherry
P
Fireplace Wood Combustion; Black Cherry
95194
Fireplace Wood Combustion - Quaking Aspen
P
Fireplace Wood Combustion; Quaking Aspen
95195
Fireplace Wood Combustion - White Spruce
P
Fireplace Wood Combustion; White Spruce
95196
Fireplace Wood Combustion - Douglas Fir
P
Fireplace Wood Combustion; Douglas Fir
95197
Fireplace Wood Combustion - Ponderosa Pine
P
Fireplace Wood Combustion; Ponderosa Pine
95198
Fireplace Wood Combustion - Pinyon Pine
P
Fireplace Wood Combustion; Pinyon Pine
95199
Fireplace Wood Combustion - Red Maple
P
Fireplace Wood Combustion; Red Maple
95200
Fireplace Wood Combustion - Northern Red Oak
P
Fireplace Wood Combustion; Northern Red Oak
pg. A-17
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95201
Fireplace Wood Combustion - Paper Birch
P
Fireplace Wood Combustion; Paper Birch
95202
Fireplace Wood Combustion - Eastern White Pine
P
Fireplace Wood Combustion; Eastern White Pine
95203
Fireplace Wood Combustion - Eastern Hemlock
P
Fireplace Wood Combustion; Eastern Hemlock
95204
Fireplace Wood Combustion - Balsam Fir
P
Fireplace Wood Combustion; Balsam Fir
95205
Fireplace Wood Combustion - Yellow Poplar
P
Fireplace Wood Combustion; Yellow Poplar
95206
Fireplace Wood Combustion - White Ash
P
Fireplace Wood Combustion; White Ash
95207
Fireplace Wood Combustion - Sweetgum
P
Fireplace Wood Combustion; Sweetgum
95208
Fireplace Wood Combustion - Mockernut Hickory
P
Fireplace Wood Combustion; Mockernut Hickory
95209
Fireplace Wood Combustion - Loblolly Pine
P
Fireplace Wood Combustion; Loblolly Pine
95210
Fireplace Wood Combustion - Slash Pine
P
Fireplace Wood Combustion; Slash Pine
95219
CNG Transit Bus Exhaust
P
CNG; Transit Bus Exhaust
95220
CNG Transit Bus Exhaust
P
CNG; Transit Bus Exhaust
95334
Diesel Exhaust - Heavy-heavy duty truck - 2011 model year
P
Diesel Exhaust; Heavy-heavy duty truck; 2011 model year; Ultra-low sulfur diesel
95429
Automated charbroiler- Hamburger
P
Automated charbroiler; Hamburger
95430
Underfired charbroiler - Hamburger
P
Underfired charbroiler; Hamburger
95431
Underfired charbroiler - Steak
P
Underfired charbroiler; Steak
95432
Underfired charbroiler - Chicken
P
Underfired charbroiler; Chicken
95433
Tire Dust
P
Tire Dust
95434
Tire Dust
P
Tire Dust
95435
Tire Dust
P
Tire Dust
95436
Tire Dust
P
Tire Dust
95437
Tire Dust
P
Tire Dust
95438
Tire Dust
P
Tire Dust
95439
Brake Wear
P
Brake Wear
95440
Brake Wear
P
Brake Wear
95441
Brake Wear
P
Brake Wear
95442
Brake Wear
P
Brake Wear
95443
Brake Wear
P
Brake Wear
pg. A-18
-------
Final Report
Profile
Number
Name
Profile
Type
Keyword
95444
Brake Wear
P
Brake Wear
95445
Brake Wear
P
Brake Wear
95446
Brake Wear
P
Brake Wear
95447
Brake Wear
P
Brake Wear
95448
Brake Wear
P
Brake Wear
95449
Brake Wear
P
Brake Wear
95450
Brake Wear
P
Brake Wear
95451
Brake Wear
P
Brake Wear
95452
Brake Wear
P
Brake Wear
95453
Brake Wear
P
Brake Wear
95454
Brake Wear
P
Brake Wear
95455
Brake Wear
P
Brake Wear
95456
Brake Wear
P
Brake Wear
95457
Brake Wear
P
Brake Wear
95458
Brake Wear
P
Brake Wear
95459
Composite - Tire Dust
P
Composite; Tire Dust
95460
Composite - Tire Dust
P
Composite; Tire Dust
95461
Composite - Brake Wear
P
Composite; Brake Wear
95462
Composite - Brake Wear
P
Composite; Brake Wear
pg. A-19
-------
Final Report
[This page intentionally left blank.]
pg. A-20
-------
Final Report
APPENDIX B. Protocol for Expansion of SPECIATE Database
MEMORANDUM
Date:
May 30, 2005
To:
Lee Beck, U.S. Environmental Protection Agency, Office of Research and Development
From:
Y. Hsu and S. Roe, E.H. Pechan & Associates, Inc.
Subject: Protocol for Expansion of the SPECIATE Database
EPA Contract No. 68-D-00-265, WA No. 4-46
This memorandum is intended to guide profile data collectors on how to collect and present source profile data
to maximize their utility to SPECIATE users, to assist future SPECIATE managers in assessing whether the
data should be incorporated, and to facilitate the process for preparing profiles in SPECIATE format.
In order to ensure that future profile development meets the needs of the SPECIATE user community, the
Workgroup has prepared several recommendations for speciation profile developers based on recent
SPECIATE database updates and previous guidance from EPA (EPA, 2002) and other scientists (Watson and
Chow, 2002). For this discussion, SPECIATE users are defined as individuals who: (1) conduct regional haze,
PM2 5, and ozone modeling; (2) prepare speciated emissions inventories; (3) use the Chemical Mass Balance
or other receptor models; (4) and/or verify profiles derived from ambient monitoring measurements by
multivariate receptor models such as UNMIX.
Speciation Data Collection
Profiles are defined as the weight percent of chemical species that make up a source-specific emission stream.
Volatile organic compound (VOC) profiles should include the weight percent of each of the species present.
When all organic gas species are present (e.g. methane, carbonyls, hydrocarbons), these profiles are referred to
as total organic gas (TOG) profiles. At a minimum, these profiles should include the 56 Photochemical
Assessment Monitoring Station (PAMS) species, as well as any other species that are available.
Particulate matter (PM) profiles should include the weight percent for each of the species present. Minimum
data requirements are for the major elements reported by the IMPROVE and PM2.5 Speciation Trends
networks, water-soluble ions (sulfates and nitrates at a minimum, plus ammonium, potassium, sodium,
chloride, fluoride, phosphate, calcium, and magnesium, if available), and carbon fractions [Total Carbon (TC),
Organic Carbon (OC), and Elemental Carbon (EC)], preferably with other fractions that are defined by the
method, such as the eight IMPROVE carbon fractions and carbonate carbon). Organic fractions, isotopic
abundances, organic compounds, and single particle properties should be included, where they are reported
and well-defined. Test results from dilution sampling trains are recommended for use in SPECIATE, since
these results come closest to representing the composition of emissions in the ambient air.
Background
pg. B-1
-------
Final Report
Profile data must contain information on the chemical abundance of each species noted above. These data can
be defined as the fraction of mass emissions of PM/VOC/TOG or the mass emission rate of each species (e.g.
lb/ton, g/VMT, etc.). In addition to the estimate of central tendency for each species (e.g. mean, median), an
estimate of the variability of each species should also be provided (e.g. standard deviation). Priority should be
given to profiles that express the mean and standard deviation of individual test profiles for representative
samples. If statistics other than the mean and standard deviation are provided, the method used to estimate
central tendency and variability should be described.
Available information on the analytical uncertainty for individual test profiles should be identified and
described separately. For example, if the analytical method for a certain species is known to have a precision
of +/- 20%, then this information should be listed for each applicable species.
Documentation
The primary reference for the profile should be cited as the source of documentation, not
secondary references that might have compiled profile data from one or more primary
references. Secondary references should be cited only when original profiles have been
modified (i.e. by aerosol aging, different sample compositing, different normalization methods,
etc.). The notes column in the SPECIATE database should be used to store this information, as
well as additional descriptive information on the profile, such as vehicle model year, engine
size, vehicle identification number, and other descriptors that might be used to document a
mobile source profile.
Profile developers must provide extensive documentation of their results. This should include documentation
of the entire experimental program. Where appropriate, this should include fuel type, operating parameters,
type of facility, location, and date of test. Non-detects or incomplete analyses should be documented so that
the reader fully understands the analytical results.
Data Format
Profile developers should transmit data in a form that can be easily added to the SPECIATE database. The
new SPECIATE 4.0 database is a Microsoft Access® relational database containing eight tables as described
in Table C-l of this appendix. The SPECIATE data structure is completely documented in the final report for
SPECIATE 4.0. Information should be filled in as completely as possible, including references, test methods,
analytical methods, Chemical Abstracts Service (CAS) numbers, data quality ratings, normalization basis, etc.
Data Normalization
Methods for profile normalization should be clearly documented, and the rationale for selecting the
normalization basis should be stated. Normalization of organic gas data should be mass specific (i.e. mass
species/mass TOG; emission rate species/emission rate TOG). Volume carbon basis is not recommended
because it is objective (assumptions are needed regarding the composition of unresolved species). Whenever
possible, the total gas chromatography (GC)-elutable organic gases normalization basis should be used and
documented.
pg. B-2
-------
Final Report
Normalization of PM data should be size-specific. Ideally, the profile will be normalized on total PM (with a
specified upper size limit), PMi0 and PM2 5. However, normalization based on other size fractions can also be
accommodated in SPECIATE. The normalized mass can be measured or be the weighted sum of major
chemical components (sulfate, nitrate, ammonium, soil elements with assumed or measured oxides, organic
carbon, elemental carbon, and sea salt). Profiles normalized on total gravimetric mass are preferred; however,
if the sum of measured species basis is used, this should be noted and the reasoning for selecting this method
stated.
Speciation Data Quality
Recommendations for or against inclusion of profiles in SPECIATE will be based on the perceived overall
quality of the profiles. There are no simple criteria that can be set to scrutinize speciation data for inclusion in
the SPECIATE 4.0 database. The supporting information housed within SPECIATE is therefore critically
important. The SPECIATE 4.0 database provides structure sufficient to thoroughly document profiles and
their underlying analysis, and should be completed as thoroughly as possible when preparing profiles for
potential inclusion in the database.
Each profile has a quality rating that is assigned by the profile developer. The quality rating protocol is
completely documented in the final report for SPECIATE 4.0. Speciation profiles developed from the
following methods should be given a lower data quality rating:
1. Samples from combustion sources not collected by dilution sampling;
2. Low total speciated percentage (less than 80%);
3. PM profiles normalized by the "sum of species" mass, which assumes profiles of this type are fully
speciated; and
4. Any noticeable outliers or other unreasonable test results (see examples provided below).
Additional profile quality considerations include:
• Appropriate Method - Reviewers experienced in analytical methods and application of speciation
profiles will need to determine if characteristic compounds are present and properly measured.
Sampling and analytical procedures need to be specific to the source and documented as thoroughly as
possible. For example, the EPA Method TO-14 is not an appropriate method for dairy farm emission
speciation. Since this method was developed to test industrial sources, fatty acids and other important
organic species were not included in the target species list.
• Measurement Precision - Low precision is expected for certain species; the data quality ratings
should reflect this issue. In cases where the sampling or analytical methods are found to be wholly
inappropriate for a given species, these data should not be included in SPECIATE. For example, the
wet chemistry using 2,4-Dinitrophenylhydrazine sampling procedure is not appropriate for acrolein
measurement due to its poor recovery according to a study by California Air Resources Board (CARB)
(Halm, 2003).
• Overall Test Program Confidence - Results obtained from the test program should be consistent
with expectations for that source, and if not, the differences should be sufficiently accounted for. For
example, in an U.S. Air Force sponsored study (AFIERA/RSEQ, 1998) measuring aircraft exhaust
pg. B-3
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Final Report
compositions, a brief discussion in the measurement section showed that the contractor measured
essentially the same concentrations of target compounds in the background air as in the samples
collected from aircraft exhaust. As a result, toxic species were reported at relatively low emission rates
in this study. In cases where there are significant unexplainable results, the data should not be included
in the SPECIATE database.
• Source Category-specific Considerations - For certain source categories such as the pulp and paper
industry, oxygenated compounds contribute significantly to organic gas emissions. The generic total
hydrocarbon (THC) method using flame ionization detectors (FID) calibrated with hydrocarbon
standards (e.g. hexane) does not properly characterize the total TOG or VOC emissions. For processes
whose emissions are dominated by methanol, this compound (and other oxygenated species) should be
sampled and quantified separately using GC calibrated with a methanol standard (see Someshwar,
2003). Due to poor detector performance, the emission rates measured for THC were observed to be
less than those measured specifically for methanol using an appropriate standard. Consequently, for
this case, the THC is not suitable to serve as the normalization basis for this gas profile. The solution
is to collect fully speciated data using appropriate methods and to consolidate all organic gases into a
total organic gas profile for normalization.
pg. B-4
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Final Report
References:
AFIERA/RSEQ, 1998. Aircraft Engine and Auxiliary Power Unit Emissions Testing for the US Air Force,
Environmental Quality Management Inc, and Roy F. Weston Inc., December 1998.
EPA, 2002. Draft Guidelines for the Development of Total Organic Compound and Particulate Matter
Chemical Profiles, developed by Emission Factors and Inventory Group, U.S. EPA, September 25, 2002.
Halm, 2003. Halm, C. of California Air Resources Board personal communication with Ying Hsu of E.H.
Pechan & Associates, Inc., 2003.
Someshwar, 2003. Arun Someshwar, Compilation of 'Air Toxic' 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, February, 2003.
Watson and Chow, 2002. Watson, J. and J. Chow, Considerations in Identifying and Compiling PMand VOC
Source Profiles for the SPECIATE Database, Desert Research Institute, August, 2002.
pg. B-5
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pg. B-6
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Final Report
APPENDIX C. Speciation Profiles for Example Mixtures
Table C-1. SPECIATE Profile #3141 for Mineral Spirits
Chemical Name
Weight
Percent
CAS
METHYLCYCLOHEXANE
9.80
108872
N-HEPTANE
5.10
142825
N-UNDECANE
4.47
1120214
N-DECANE
4.34
124185
TOLUENE
4.15
108883
N-OCTANE
3.86
111659
ACETONE
3.48
67641
CIS-1,3-DIMETHYLCYCLOHEXANE
2.46
638040
ETHYL ALCOHOL
2.37
64175
2-METHYLHEPTANE
2.18
592278
2,6-DIMETHYLNONANE
1.40
17302282
3-METHYLHEPTANE
1.38
589811
1,2,4-TRIMETHYLBENZENE {1,3,4-
TRIMETHYLBENZENE}
1.38
95636
1,2,4-TRIMETHYLCYCLOPENTANE
1.33
99073
2-METHYLHEXANE
1.29
591764
TRANS,TRANS-1,2,4-TRIMETHYLCYCLOHEXANE
1.21
1678804
N-NONANE
1.17
111842
1,2-DIMETHYLCYCLOPENTANE
1.15
2452995
N-BUTYL ACETATE
1.14
123864
M-XYLENE
1.12
108383
ETHYL PROPYLCYCLOHEXANES
1.10
90090
ETHYLCYCLOH EXAN E
1.01
1678917
4-METHYLNONANE
0.94
17301949
METHYL AMYL KETONE
0.86
110430
TRANS-1,4-DIMETHYLCYCLOHEXANE
0.85
2207047
TRANS-1,3-DIMETHYLCYCLOHEXANE
0.83
2207036
2-METHYLDECANE
0.83
6975980
METHYL PROPYLCYCLOHEXANES
0.82
26967646
2,6-DIMETHYLHEPTANE
0.76
1072055
3-METHYLDECANE
0.75
13151343
CIS-1 ,CIS-3,5-TRIMETHYLCYCLOHEXANE
0.69
1795273
1,2,3-TRIMETHYLCYCLOPENTANE
0.68
99074
TRANS, CIS-1,2,4-TRIMETHYLCYCLOHEXANE
0.67
99075
1,1,3-TRIMETHYLCYCLOPENTANE
0.66
4516692
1,1,3-TRIMETHYLCYCLOHEXANE
0.65
3073663
4-METHYLDECANE
0.64
2847725
1,2,3-TRIMETHYLBENZENE
0.63
526738
TRANS,TRANS-1,3,5-TRIMETHYLCYCLOHEXANE
0.63
99076
5-METHYLDECANE
0.63
13151354
4-METHYLHEPTANE
0.60
589537
BUTYLCYCLOHEXANE
0.58
1678939
N-DODECANE
0.57
112403
pg. c-1
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Final Report
Table C-1 (continued)
Chemical Name
Weight
Percent
CAS
2-METHYLNONANE
0.56
871830
ETHYLCYCLOPENTANE
0.56
1640897
TRANS-1,3-DIMETHYLCYCLOPENTANE
0.54
1759586
2,6-DIMETHYLOCTANE
0.54
2051301
5-METHYLINDAN
0.52
874351
1-METHYL-4N-PROPYLBENZENE
0.51
1074551
2,3-DIMETHYLOCTANE
0.49
7146603
BUTYL CELLOSOLVE {2-BUTOXYETHANOL} {EGBE}
0.48
111762
2,4-DIMETHYLHEXANE
0.45
589435
1 -METHYL-4-ETHYLBENZENE
0.45
622968
4-METHYLOCTANE
0.45
2216344
2,5-DIMETHYLHEPTANE
0.44
2216300
3,7-DIMETHYLNONANE
0.44
17302328
CIS-1-ETHYL-3-METHYLCYCLOHEXANE
0.44
19489102
ETHYLBENZENE
0.43
100414
PROPYLCYCLOHEXANE
0.43
1678928
CIS-1,3-DIMETHYLCYCLOPENTANE
0.41
2532583
1-METHYLINDAN
0.41
767588
1-METHYL-3-ISOPROPYLBENZENE
0.41
535773
3-METHYLOCTANE
0.40
2216333
1,2,3-TRIMETHYLCYCLOHEXANE
0.40
1678973
OTHER C12
0.39
99035
METHYL ALCOHOL
0.37
67561
1 -METHYL-2-ETHYLBENZENE
0.37
611143
2,5-DIMETHYLNONANE
0.37
17302271
P-XYLENE
0.35
106423
1-METHYL-3-ISOPROPYLCYCLOHEXANE
0.35
99040
1,2-DIMETHYL-4-ETHYLBENZENE
0.34
934805
3-METHYLNONANE
0.33
5911046
1 -METHYL-3-ETHYLBENZENE
0.33
620144
O-XYLENE
0.32
95476
2,3-DIMETHYLHEXANE
0.32
584941
PENTYLCYCLOPENTANE
0.32
3741002
1-METHYL-2-ISOPROPYLCYCLOHEXANE
0.32
99041
3-ETHYLHEXANE
0.32
619998
2-METHYLOCTANE
0.31
3221612
OTHER C9
0.30
99032
ISOBUTYLCYCLOHEXANE
0.30
1678984
2-METHYLUNDECANE {ISODODECANE}
0.30
7045718
ISOPROPYLCYCLOHEXANE
0.29
696297
1,2,3,5-TETRAMETHYLBENZENE
0.29
527537
CIS,TRANS-1,2,4-TRIMETHYLCYCLOHEXANE
0.28
99079
1,3-DIMETHYL-2-ETHYLBENZENE
0.26
2870044
2,6-DIMETHYLDECANE
0.26
13150817
1,3-DIMETHYL-5-ETHYLBENZENE
0.26
934747
1,1-DIMETHYLCYCLOHEXANE
0.26
590669
pg. C-2
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Final Report
Table C-1 (continued)
Weight
Chemical Name
Percent
CAS
NAPHTHALENE
0.25
91203
ISOPROPYLBENZENE (CUMENE)
0.24
98828
DIETHYLCYCLOHEXANE
0.24
98062
2,4-DIMETHYLHEPTANE
0.23
2213232
TRANS-1-ETHYL-3-METHYLCYCLOHEXANE
0.23
99080
1,1,2-TRIMETHYLCYCLOPENTANE
0.22
4259001
1,2,4,5-TETRAMETHYLBENZENE
0.22
95932
1,4-DIMETHYL-2-ETHYLBENZENE
0.21
1758889
PENTYLCYCLOHEXANE
0.21
4292926
TRANS-1-ETHYL-4-METHYLCYCLOHEXANE
0.21
99082
IN DAN
0.20
496117
3-ETHYL-2-METHYLHEPTANE
0.19
14676290
4,5-DIMETHYLOCTANE
0.19
15869962
1,1,3,4-TETRAMETHYLCYCLOHEXANE
0.18
99043
6-ETH YL-2-M ETH YLOCTAN E
0.18
99044
3-PHENYLPENTANE
0.18
1196583
6-METHYLUNDECANE
0.18
99045
2,3-DIMETHYLPENTANE
0.17
565593
1 -ETHYL-2-METHYLCYCLOPENTANE
0.17
99083
1 -ETHYL-3-METHYLCYCLOPENTANE
0.17
99048
1,2-DIMETHYL-3-ETHYLCYCLOHEXANE
0.17
99046
CYCLOHEXANE
0.16
110827
3-ETHYLHEPTANE
0.16
15869804
4-ETHYLDECAN E
0.16
99049
CIS-1,4-DIMETHYLCYCLOHEXANE
0.16
624293
OTHER C10
0.16
99033
3-METHYLHEXANE
0.15
589344
1-ETHYL-4-ISOPROPYLBENZENE
0.15
4218488
CIS-BICYCLO[4.3.0]NONANE
0.15
4551513
3,4-DIMETHYLHEXANE
0.15
583482
1,1,4-TRIMETHYLCYCLOHEXANE
0.15
7094271
1,3-DIMETHYL-4-ETHYLBENZENE
0.14
874419
OTHER C11
0.14
99034
3-ETHYL-3-METHYLOCTANE
0.14
99051
2-METHYLDECALIN
0.14
99050
3,6-DIMETHYLOCTANE
0.13
15869940
TRANS-1-ETHYL-2-METHYLCYCLOHEXANE
0.13
4923788
(2-METHYLBUTYL)CYCLOHEXANE
0.13
99052
1,2-DIETHYL-1-METHYLCYCLOHEXANE
0.13
99053
CIS,CIS-1,2,4-TRIMETHYLCYCLOHEXANE
0.13
99054
3-METHYLUNDECANE
0.13
1002433
1,3,5-TRIMETHYLBENZENE
0.12
108678
2,2,5-TRIMETHYLHEXANE
0.12
3522949
3,5-DIMETHYLOCTANE
0.12
15869939
4-METHYLUNDECANE
0.12
2980690
(1 -METHYLPROPYL)BENZENE
0.11
135988
pg. C-3
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Final Report
Table C-1 (continued)
Chemical Name
Weight
Percent
CAS
5-METHYLUNDECANE
0.11
1632708
HEXYLCYCLOPENTANE
0.11
99057
5-ISOPROPYLNONANE
0.11
99056
2-ETHYL-1,3-DIMETHYLCYCLOHEXANE
0.11
99055
3,4-DIMETHYLOCTANE
0.11
15869928
3-ETHYLOCTANE
0.11
5881174
CIS-1,2-DIMETHYLCYCLOHEXANE
0.10
2207014
1,1-DIMETHYLCYCLOPENTANE
0.10
1638262
2,3,4-TRIMETHYLPENTANE
0.09
565753
2-METHYL-3-ETHYLPENTANE
0.09
609267
CIS,TRANS-1,2,3-TRIMETHYLCYCLOHEXANE
0.09
20348725
2,6-DIMETHYLUNDECANE
0.09
17301234
4-METHYLINDAN
0.09
824226
2,4-DIMETHYLPENTANE
0.08
108087
PROPYLCYCLOPENTANE
0.08
2040962
2,7-DIMETHYLOCTANE
0.08
1072168
1,1-DIMETHYL-2-PROPYLCYCLOHEXANE
0.08
99059
1-ETHYL-2,2,6-TRIMETHYLCYCLOHEXANE
0.08
99060
1,1-METHYLETHYLCYCLOPENTANE
0.07
16747505
1,1,2-TRIMETHYLCYCLOHEXANE
0.07
7094260
1-ETHYL-1,2-DIMETHYLCYCLOHEXANE
0.07
99061
TRANS-1,2-DIMETHYLCYCLOHEXANE
0.07
6876239
1,1,2,3-TETRAMETHYLCYCLOHEXANE
0.06
99062
3,3,5-TRIMETHYLHEPTANE
0.06
7154805
2,4-DIMETHYLNONANE
0.06
17302248
CIS-DECALIN
0.06
493016
1-ETHYL-2,4-DIMETHYLCYCLOHEXANE
0.06
99063
1-METHYL-4-ISOBUTYLBENZENE
0.06
99064
N-TRIDECANE
0.05
629505
3-ETHYLDECAN E
0.05
17085960
CIS-1-ETHYL-2-METHYLCYCLOHEXANE
0.05
4923777
CIS-1-ETHYL-4-METHYLCYCLOHEXANE
0.05
3728561
CIS-BICYCLO[3.3.0]OCTANE
0.05
694724
4,5-DIMETHYLDECANE
0.05
99066
1,3-DIMETHYL-4-ISOPROPYLBENZENE
0.05
99065
1-METHYL-4-ISOPROPYLBENZENE
0.05
99876
N-PROPYLBENZENE
0.05
103651
2-METHYLNAPHTHALENE
0.04
91576
2,2,3,3-TETRAMETHYLPENTANE
0.04
7154792
CIS-1-ETHYL-2-METHYLCYCLOPENTANE
0.04
930892
OTHER C13
0.04
99037
2,5-DIMETHYLHEXANE
0.03
592132
1 -METHYL-3-BUTYLBENZENE
0.03
99084
2,2-DIMETHYLHEPTANE
0.03
1071267
METHYL ISOBUTYL KETONE
0.03
108101
2,7-DIMETHYLDECANE
0.03
99067
pg. C-4
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Final Report
Table C-1 (continued)
Weight
Chemical Name
Percent
CAS
3,5-DIMETHYLNONANE
0.03
99068
2,3-DIMETHYLHEPTANE
0.03
3074713
OTHER C8
0.03
99031
N-BUTYL ALCOHOL
0.02
71363
3-ETHYL-4-METHYLHEPTANE
0.02
52896910
2,3,5-TRIMETHYLHEPTANE
0.02
20278857
1,1,3,5-TETRAMETHYLCYCLOHEXANE
0.02
4306654
HEXYLCYCLOHEXANE
0.02
4292755
TRANS-1-ETHYL-3-METHYLCYCLOPENTANE
0.02
99085
CIS-1-ETHYL-3-METHYLCYCLOPENTANE
0.02
99071
1,2,3-TRIMETHYL-4-ETHYLBENZENE
0.02
99070
OTHER C14
0.02
99038
STYRENE
0.02
100425
2,5-DIMETHYLOCTANE
0.02
15869893
METHYLCYCLOPENTANE
0.01
96377
2,4-DIMETHYLOCTANE
0.01
4032944
METHYL ETHYL KETONE (MEK) (2-BUTANONE)
0.01
78933
1-METHYL-4-ISOPROPYLCYCLOHEXANE
0.01
99821
METHYL PENTYLCYCLOHEXANE
0.01
99072
Table C-2. SPECIATE Profile #4439 for Xylene Mixtures
Chemical Name
Weight
Percent
CAS
M-XYLENE
44.63
108383
O-XYLENE
19.82
95476
P-XYLENE
19.35
106423
ETHYL BENZENE
15.45
100414
TOLUENE
0.21
108883
1-ETHYL-3-METHYL BENZENE
0.15
620144
PROPYL BENZENE
0.15
98828
ISOPROPYL BENZENE
0.08
103651
1,2,4-TRIMETHYL BENZENE
0.06
95636
1-ETHYL-4-METHYL BENZENE
0.05
622968
1,3,5-TRIMETHYL BENZENE
0.03
108678
1-ETHYL-2-METHYL BENZENE
0.02
611143
pg. C-5
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pg. C-6
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APPENDIX D. Semi-Volatile Organic Compound Partitioning Factors and
Methodology Applied to Prepare Mobile Source Exhaust Profiles
in the SPECIATE Database
MEMORANDUM
Date:
September 3rd, 2007
To:
Lee Beck, U.S. Environmental Protection Agency, Office of Research and
Development
From: Ying Hsu, Ph.D. and Frank Divita Jr., Ph.D., E.H. Pechan & Associates, Inc.
Subject: Semi-volatile Organic Compound Partitioning Factors and Methodology
Applied to Prepare Mobile Source Exhaust Profiles in the SPECIATE Database
Introduction
This memorandum describes a method to allocate speciated semi-volatile organic compounds (SVOC)
into estimates of particulate matter (PM) and organic gas phases. This procedure is required in order to
convert SVOC emissions provided in speciation data into weight percent profiles.
Mobile source emission measurement studies frequently collect and analyze SVOC species in one
sample. However, there is a need to separate their relative emissions because the current SPECIATE database
defines speciation profiles as either PM or organic gas weight percent source profiles. The purpose of the
memorandum is to propose a method to distribute measured SVOC species emission rates into PM and gas
phases so that they can be normalized by particle and volatile organic compound* (VOC) emission rates and
used in SPECIATE.
Methodology
To the best of Pechan's knowledge, after thorough literature review, there is only one motor vehicle
study (Schauer et al., 1999) that comprehensively speciated diesel exhaust in PM and organic gas phases
separately. Pechan proposes to apply the partitioning factors presented in the Schauer study to split SVOC
species into PM and gas phases. For example, based on the Schauer's study (see Table 1), naphthalene (CAS
# 91-20-3) is 100 percent gas phase under ambient condition, hexadecylcyclohexane (CAS # 6812-38-0) is
entirely in the PM phase, and phenanthrene (CAS # 85-01-8) partitions 34 percent and 66 percent in PM and
gas phase, respectively. For motor vehicle exhaust speciation data that measured SVOC that combined both
PM and organic gas phases, Pechan will apply the partitioning factors in Table E-l to allocate SVOC mass
into in PM and gas phases.
* The normalization basis can also be total organic gas (TOG) or non-methane organic gas (NMOG).
pg. D-1
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Final Report
For example, when a study presents 0.67 mg/mile of naphthalene emission in both PM and gas phases,
this emission rate is assumed to be entirely in gas phase and divided by organic gas mass emission rate and
included in the associated organic gas profile. For phenanthrene, assuming the total emission rate is 0.0172
mg/mile, 34 percent of it (0.0059 mg/mile) is allocated in PM phase and 66 percent (or 0.0113 mg/mile) is in
organic gas phase. These emission rates are then normalized by the associated PM and organic gas mass
emissions, respectively.
Pechan understands partitioning factors are not universal and vary by sampling conditions (e.g.,
temperature, pressure). However, there are no better known protocols to allocate speciated SVOC emissions
into PM and gas phases, once they are measured together. And, including SVOC species entirely in either PM
phase or organic gas phase does not appropriately characterize motor vehicle emissions. For example,
according to Schauer, et al. (1999), naphthalene is mostly in gas phase under ambient condition but it was
estimated relative to PM emissions in an official mobile source emissions module. This is considered not
appropriate since naphthalene is mostly in gas phase and not relevant to PM emissions.
Note: For integrity of this memorandum, excerpts from the Schauer, et al. (1999) study are briefly presented
below. For complete details of this study, please consult the original reference below.
Excerpt from Mid-duty Diesel Exhaust Speciation Study by Schauer, et al. (1999)
Both gas- and particle-phase tailpipe emissions from medium duty diesel trucks were
quantified using a two-stage dilution source sampling system. Tests were conducted in 1996
from in-use vehicle fleet in southern California and were fueled with commercially obtained
California reformulated diesel fuel. The first vehicle tested was a 1995 model year Isuzu
intercooled turbo diesel truck with a 3.8-L, four-cylinder engine. The second vehicle was a
GMC Vandura 3500 full-sized commercial van with a 6.5-L, eight-cylinder diesel engine. The
Isuzu truck and the GMC van had accumulated 39,993 miles and 30,560 miles of driving,
respectively, prior to being tested.
Due to vehicle testing facility operating procedures, the diesel trucks could not be
moved onto the dynamometer directly from cold storage. The truck had to be driven onto the
dynamometer, which entailed first starting the engine, so the diesel trucks had to be tested with
a hot-start Federal Test Procedure (FTP) cycle. Prior to the start of each source test, the truck
tested was warmed on the dynamometer for approximately 10 minutes. The engine was then
shut off, and the truck tailpipe was connected to the source sampler. The flows through the
source samplers were established, and the truck was started and driven over the first two
segments of the FTP dynamometer cycle.
The diesel trucks were driven through the hot-start FTP urban driving cycle on a
transient chassis dynamometer. Emission rates of 52 gas-phase volatile hydrocarbons, 67
semivolatile and 28 particle-phase organic compounds, and 26 carbonyls were quantified along
with fine particle mass and chemical composition. When all CI-CI3 carbonyls were combined,
they accounted for 60 percent of the gas phase organic compound mass emissions. Fine
particulate matter emission rates and chemical composition were quantified simultaneously by
two methods: a denuder/filter/PUF sampler and a traditional filter sampler. Both sampling
techniques yielded the same elemental carbon emission rate of 56 mg/km driven, but the
pg. D-2
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Final Report
particulate organic carbon emission rate determined by the denuder-based sampling technique
was found to be 35 percent lower than the organic carbon mass collected by the traditional
filter-based sampling technique due to a positive vapor-phase sorption artifact that affected the
traditional filter sampling technique. The distribution of organic compounds in the diesel fuel
used in this study was compared to the distribution of these compounds in the vehicle exhaust.
Significant enrichment in the ratio of unsubstituted polycyclic aromatic hydrocarbons (PAH) to
their methyl- and dimethyl-substituted homologues was observed in the tailpipe emissions
relative to the fuel. Isoprenoids and tricyclic terpanes were quantified in the semivolatile
organics emitted from diesel vehicles. When used in conjunction with data on the hopanes,
steranes, and elemental carbon emitted, the isoprenoids and the tricyclic terpanes may help
trace the presence of diesel exhaust in atmospheric samples.
Reference
Schauer, et al., 1999: Schauer, J.J., M.J. Kleeman, G.R. Cass, and B.R.T. Simoneit,
"Measurement of Emissions from Air Pollution Sources, 2. C1-C30 Organic
Compounds from Medium Duty Diesel Trucks," Environmental Science and
Technology, vol. 33, no. 10, pp. 1578-1587, 1999.
pg. D-3
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Table D-1. Average Emission Rates ((jg/km) and Distribution of Organic Species in Medium Duty
Diesel Truck Exhaust
Species
ID
Molecular
Weight
Chemical Name
CAS
Gas
Phase
(Mg/km)
Particle
Phase
(Mg/km)
Mass
Fraction
in Gas
Mass
Fraction
in PM
1623
174.19
Octanedioic acid
505-48-6
138
0
1
936
188.22
Azelaic acid-TMS
123-99-9
176
0
1
1720
228.29
C1-MW 228 PAH
6.54
0
1
1620
270.45
Heptadecanoic acid
506-12-7
22.3
0
1
966
284.48
Stearic acid-TMS
57-11-4
362
0
1
959
298.50
Nonadecanoic acid-TMS
646-30-0
5.7
0
1
1730
308.59
Hexadecylcyclohexane
6812-38-0
12.9
0
1
1596
310.60
N-docosane
629-97-0
52.0
0
1
944
312.53
Eicosanoic acid-TMS
506-30-9
14.2
0
1
1731
322.62
Heptadecylcyclohexane
19781-73-8
16.7
0
1
1597
324.63
n-Tricosane
638-67-5
45.5
0
1
1732
336.64
octadecylcyclohexane
4445-06-1
11.5
0
1
1598
338.65
n-Tetracosane
646-31-1
40.7
0
1
1733
350.66
Nonadecylcyclohexane
22349-03-7
9.0
0
1
1599
352.68
n-Pentacosane
629-99-2
26.1
0
1
1600
366.71
N-hexacosane
630-01-3
34.9
0
1
1738
370.66
17 a(H)-22, 29, 30-trisnorhopane
53584-59-1
0.99
0
1
1846
370.66
18 a(H)-22, 29, 30- trisnorneohopane
55199-72-9
2.74
0
1
1736
372.68
20S-13|B(H),17 a(H)-diacholestane
56975-84-9
1.37
0
1
1601
380.73
N-heptacosane
593-49-7
25.7
0
1
1602
394.76
n-octacosane
630-02-4
19.7
0
1
1725
398.72
17a(H), 21 p(H),29-norhopane
53584-60-4
11.3
0
1
1603
408.79
n-Nonacosane
630-03-5
6.1
0
1
1726
412.74
17a(H), 21p(H)-hopane
13849-96-2
11.4
0
1
1744
20R&S-5 a(H), 14p(H), 17p(H)-ergostane
3.15
0
1
1745
20R&S-5 a(H), 14p(H), 17p(H)-sitostane
2.61
0
1
pg. D-4
-------
Final Report
Gas
Particle
Mass
Mass
Species
Molecular
Phase
Phase
Fraction
Fraction
ID
Weight
Chemical Name
CAS
(Mg/km)
(Mg/km)
in Gas
in PM
1743
20R-5a(H),14a(H),17a(H)-cholestane
1.19
0
1
1741
20R-5a(H),14p(H),17p(H)-cholestane
0.78
0
1
2336
228.29
Chrysene & Triphenylene
218-01-9; 217-59-4
3.35
15.6
0.177
0.823
1172
226.27
Benzo[ghi]fluoranthene
203-12-3
5.82
19.8
0.227
0.773
854
228.29
Benz(a)anthracene
56-55-3
2.98
7.76
0.277
0.723
1703
216.28
C1-MW 202 PAH
39.0
81.0
0.325
0.675
1173
228.29
Cyclopenta[cd]pyrene
27208-37-3
2.06
3.50
0.371
0.629
1702
202.25
Acephenanthrylene
201-06-9
12.0
16.2
0.426
0.574
1883
180.25
Methyl fluorene
26914-17-0
65.2
83.0
0.440
0.560
904
202.25
Pyrene
129-00-0
71.9
88.5
0.448
0.552
882
202.25
Fluoranthene
206-44-0
53.0
56.6
0.484
0.516
886
192.26
1 -methylphenanthrene
832-69-9
17.0
17.8
0.489
0.511
1707
184.28
C4-naphthalenes
97.3
98.6
0.497
0.503
1701
220.31
C3-MW 178 PAH
97.4
97.5
0.500
0.500
1698
192.26
2-methylanthracene
613-12-7
10.4
10.4
0.500
0.500
1697
192.26
3-methylphenanthrene
832-71-3
30.3
29.4
0.508
0.492
1699
192.26
9-methylphenanthrene
883-20-5
22.9
22.0
0.510
0.490
852
178.23
Anthracene
120-12-7
12.5
10.9
0.534
0.466
889
192.26
2-methylphenanthrene
2531-84-2
42.0
35.6
0.541
0.459
1708
294.56
N-Pentadecylcyclohexane
6006-95-7
12.8
9.88
0.564
0.436
1595
296.57
N-heneicosane
629-94-7
65.8
40.5
0.619
0.381
1706
170.25
C3-naphthalenes
240
130
0.649
0.351
902
178.23
Phenanthrene
85-01-8
93.1
47.0
0.665
0.335
1042
282.55
Eicosane
112-95-8
206
95.7
0.683
0.317
1845
332.61
8(3,13a-dimethyl-14(3- [3'-methylbutyl]-podocarpane
13.8
4.50
0.754
0.246
1700
206.28
C2-MW 178 PAH
196
57.2
0.774
0.226
881
180.20
9-fluorenone
486-25-9
34.6
9.84
0.779
0.221
883
166.22
Fluorene
86-73-7
34.6
9.5
0.785
0.215
pg. D-5
-------
Final Report
Gas
Particle
Mass
Mass
Species
Molecular
Phase
Phase
Fraction
Fraction
ID
Weight
Chemical Name
CAS
(Mg/km)
(Mg/km)
in Gas
in PM
1718
266.51
tridecylcyclohexane
6006-33-3
16.5
4.34
0.792
0.208
1843
280.53
T etradecylcyclohexane
1795-18-2
15.9
3.96
0.801
0.199
1709
137.19
8(3,13a-dimethyl-14p-n-butylpodocarpane
44.0
10.6
0.806
0.194
873
168.19
Dibenzofuran
132-64-9
28.7
6.0
0.827
0.173
1729
136.15
Methylbenzoic acid
12167-74-7
772
26.7
0.967
0.033
1045
226.44
Hexadecane
544-76-3
711
8.62
0.988
0.012
1043
240.47
Heptadecane
629-78-7
614
5.92
0.990
0.010
1690
212.41
2,6,10-Trimethyldodecane (farnesane)
3891-98-3
434
4.1
0.991
0.009
1047
268.52
Nonadecane
629-92-5
411
3.82
0.991
0.009
1693
226.44
Norpristane
3892-00-0
566
4.9
0.991
0.009
1049
212.41
Pentadecane
629-62-9
398
2.12
0.995
0.005
1602
394.76
n-octacosane
630-02-4
601
2.84
0.995
0.005
1692
226.44
2,6,10-trimethyltridecane
3891-99-4
367
1.2
0.997
0.003
282
26.04
Acetylene
74-86-2
4600
1
0
452
28.05
Ethylene
74-85-1
8560
1
0
465
30.03
Formaldehyde
50-00-0
22300
1
0
678
42.08
Propylene
115-07-1
780
1
0
279
44.05
Acetaldehyde
75-07-0
41800
1
0
46
54.09
1,3-butadiene
106-99-0
310
1
0
283
56.06
Acrolein (2-propenal)
107-02-8
3400
1
0
367
56.11
Cis-2-butene
590-18-1
260
1
0
497
56.11
Isobutylene
115-11-7
1140
1
0
737
56.11
Trans-2-butene
624-64-6
520
1
0
839
58.04
Glyoxal
107-22-2
2100
1
0
673
58.08
Propionaldehyde
123-38-6
14000
1
0
592
58.12
N-butane
106-97-8
3830
1
0
391
68.12
Cyclopentene
142-29-0
210
1
0
382
70.09
Crotonaldehyde
4170-30-3
13400
1
0
188
70.09
2-methyl-2-propenal
78-85-3
4000
1
0
181
70.13
2-methyl-1-butene
563-46-2
260
1
0
230
70.13
3-methyl-1-butene
563-45-1
160
1
0
390
70.13
Cyclopentane
287-92-3
410
1
0
pg. D-6
-------
Final Report
Species
ID
Molecular
Weight
Chemical Name
CAS
Gas
Phase
(Mg/km)
Particle
Phase
(Mg/km)
Mass
Fraction
in Gas
Mass
Fraction
in PM
742
70.13
Trans-2-pentene
646-04-8
50
1
0
1464
72.06
Methylglyoxal
78-98-8
1700
1
0
313
72.11
Butyraldehyde (butanal)
123-72-8
1300
1
0
536
72.11
Methyl ethyl ketone (2-butanone)
78-93-3
7500
1
0
508
72.15
Isopentane
78-78-4
2740
1
0
605
72.15
N-pentane
109-66-0
1860
1
0
302
78.11
Benzene
71-43-2
2740
1
0
187
84.16
2-methyl-2-pentene
625-27-4
210
1
0
369
84.16
Cis-2-hexene
7688-21-3
100
1
0
385
84.16
Cyclohexane
110-82-7
210
1
0
551
84.16
Methylcyclopentane
96-37-7
620
1
0
740
84.16
Trans-2-hexene
4050-45-7
160
1
0
1463
86.09
Biacetyl
431-03-8
900
1
0
122
86.18
2,2-dimethylbutane
75-83-2
310
1
0
136
86.18
2,3-dimethylbutane
79-29-8
570
1
0
199
86.18
2-methylpentane
107-83-5
930
1
0
248
86.18
3-methylpentane
96-14-0
670
1
0
717
92.14
Toluene
108-88-3
3980
1
0
550
98.19
Methylcyclohexane
108-87-2
520
1
0
840
100.16
Hexaldehyde
66-25-1
2200
1
0
140
100.20
2,3-dimethylpentane
565-59-3
720
1
0
152
100.20
2,4-dimethylpentane
108-08-7
410
1
0
194
100.20
2-methylhexane
591-76-4
570
1
0
245
100.20
3-methylhexane
589-34-4
310
1
0
600
100.20
N-heptane
142-82-5
470
1
0
301
106.12
Benzaldehyde
100-52-7
3800
1
0
pg. D-7
-------
Final Report
Gas
Particle
Mass
Mass
Species
Molecular
Phase
Phase
Fraction
Fraction
ID
Weight
Chemical Name
CAS
(Mg/km)
(Mg/km)
in Gas
in PM
449
106.17
Ethyl benzene
100-41-4
470
1
0
522
106.17
M-xylene & p-xylene
108-38-3; 106-42-3
2330
1
0
620
106.17
O-xylene
95-47-6
830
1
0
1018
114.19
Heptanal
111-71-7
3200
1
0
118
114.23
2,2,4-trimethylpentane
540-84-1
1240
1
0
130
114.23
2,3,4-trimethylpentane
565-75-3
310
1
0
138
114.23
2,3-dimethylhexane
584-94-1
160
1
0
149
114.23
2,4-dimethylhexane
589-43-5
50
1
0
156
114.23
2,5-dimethylhexane
592-13-2
50
1
0
193
114.23
2-methylheptane
592-27-8
100
1
0
226
114.23
3-ethylhexane
619-99-8
210
1
0
604
114.23
N-octane
111-65-9
260
1
0
1013
118.13
2,3-benzofuran
271-89-6
53.2
1
0
976
120.15
Acetophenone
98-86-2
5100
1
0
30
120.19
1,2,4-trimethylbenzene (1,3,4-trimethylbenzene)
95-63-6
880
1
0
44
120.19
1,3,5-trimethylbenzene
108-67-8
260
1
0
89
120.19
1 -Methyl-3-ethylbenzene
620-14-4
210
1
0
608
120.19
N-propyl benzene
103-65-1
100
1
0
94
120.19
1 -Methyl-4-ethylbenzene
622-96-8
520
1
0
937
122.12
Benzoic acid-TMS
65-85-0
1260
1
0
611
128.17
Naphthalene
91-20-3
617
1
0
1065
128.21
Octanal
124-13-0
3100
1
0
603
128.26
N-nonane
111-84-2
160
1
0
1713
132.16
1-lndanone
83-33-0
69.5
1
0
1712
134.18
2,5-Dimethylbenzaldehyde
5779-94-2
4100
1
0
105
142.20
1 -Methylnaphthalene
90-12-0
378
1
0
196
142.20
2-methylnaphthalene
91-57-6
611
1
0
1057
142.24
Nonanal
124-19-6
4400
1
0
pg. D-8
-------
Final Report
Gas
Particle
Mass
Mass
Species
Molecular
Phase
Phase
Fraction
Fraction
ID
Weight
Chemical Name
CAS
(Mg/km)
(Mg/km)
in Gas
in PM
1617
144.21
Octanoic acid
124-07-2
125
1
0
847
152.19
Acenaphthylene
208-96-8
70.1
1
0
846
154.21
Acenaphthene
83-32-9
19.3
1
0
657
154.29
Pentylcyclohexane
4292-92-6
83.9
1
0
1801
156.22
C2-Naphthalenes
542
1
0
997
156.27
Decanal
112-31-2
2800
1
0
1618
158.24
Nonanoic acid
112-05-0
240
1
0
480
168.32
Hexylcyclohexane
4292-75-5
14.9
1
0
1658
170.29
Undecanal
112-44-7
2600
1
0
599
170.33
N-dodecane
112-40-3
503
1
0
941
172.26
Decanoic acid-TMS
334-48-5
72.9
1
0
1840
182.35
Heptylcyclohexane
5617-41-4
20.0
1
0
1714
184.26
Dibenzothiophene
132-65-0
1.98
1
0
1659
184.32
Dodecanal
112-54-9
1200
1
0
609
184.36
N-tridecane
629-50-5
477
1
0
1619
186.29
Undecanoic acid
112-37-8
206
1
0
909
196.20
Xanthone
90-47-1
12.4
1
0
1841
196.37
Octylcyclohexane
1795-15-9
26.2
1
0
1660
198.34
Tridecanal
10486-19-8
2000
1
0
1051
198.39
Tetradecane
629-59-4
629
1
0
1691
198.39
Norfarnesane
6864-53-5
360
1
0
954
200.32
Laurie acid-TMS, or dodecanoic acid
143-07-7
58.5
1
0
1694
210.40
N-Nonylcyclohexane
2883-02-5
24.7
1
0
970
214.34
Tridecanoic acid-TMS
638-53-9
13.1
1
0
1695
224.43
Decylcyclohexane,
1795-16-0
38.2
1
0
958
228.37
Myristic acid-TMS, or n-Tetradecanoic Acid
544-63-8
5.3
1
0
1716
238.45
Undecylcyclohexane
54105-66-7
23.9
1
0
1717
252.48
Dodecylcyclohexane
1795-17-1
16.8
1
0
1704
268.53
Pristane
1921-70-6
443
1
0
pg. D-9
-------
Final Report
Gas
Particle
Mass
Mass
Species
Molecular
Phase
Phase
Fraction
Fraction
ID
Weight
Chemical Name
CAS
(Mg/km)
(Mg/km)
in Gas
in PM
1705
282.55
Phytane
638-36-8
439
1
0
2337
332.50
2,2'-Dithiobisbenzothiazole
120-78-5
251
1
0
pg. D-10
------- |