# The 2002-Based Multi-Pollutant Modeling Platform Report



# Volume III: Air Toxics

Emissions Inventories and Emissions Modeling for the 2002 Multi-pollutant Platform, version 3ii 

## TABLE OF CONTENTS

ACRONYMS.......................................................................................................................

...................................... III

LIST OF TABLES.................................................................................................................

................................... IV

LIST OF FIGURES................................................................................................................

.................................. IV

LIST OF APPENDICES .............................................................................................................

............................... V

1 INTRODUCTION...................................................................................................................

........................... 6

2 2002 EMISSION INVENTORIES AND AP PROACHES- DIFFERENCES BETWEEN CAP+HAP AND CAP-ONLY ...................................................................................................................

..................................... 7

2.1 2002 P OINT SOURCES ( PTIPM AND PTNONIPM )........................................................................................... 14 2.2 2002 N ONPOINT SOURCES ( AFDUST , AG , NONPT )....................................................................................... 15 2.3 F IRES ( PTFIRE , NONPTFIRE )........................................................................................................................ 16 2.4 2002 M OBILE SOURCES ( ONROAD , NONROAD , ALM ).................................................................................. 20 2.4.1 Onroad mobile sources (onroad sector) ..........................................................................................

.... 20 2.4.2 Nonroad mobile sources –NMI M-based nonroad (nonroad) .............................................................. 22 2.4.3 Nonroad mobile sources: aircraft, locomoti ve and commercial mari ne (alm sector) ........................ 22 2.5 O THER (“ OTH ”) SECTORS : C ANADA , M EXICO AND O FFSHORE

................................................................. 24 2.6 SMOKE- READY NON

- ANTHROPOGENIC INVENTORIES FOR MERCURY AND CHLORINE

.............................. 24 2.6.1 Mercury ........................................................................................................................

....................... 24 2.6.2 Chlorine.......................................................................................................................

........................ 26

3 EMISSIONS MODELING SUMMARY.....................................................................................................

... 26

3.1 T HE SMOKE MODELING SYSTEM

.............................................................................................................. 27 3.2 K EY EMISSIONS MODELING SETTINGS

........................................................................................................ 28 3.2.1 Spatial conf iguration ..........................................................................................................

................. 29 3.2.2 Chemical speciatio n configur ation..............................................................................................

........ 31 3.2.3 The Approach to Combine HAP and CAP Inventories ........................................................................ 34 3.2.4 Temporal processing configuration..............................................................................................

....... 38 3.3 E MISSIONS MODELING ANCILLARY DATA DIFFERENCES FROM CAP- ONLY

................................................ 39 3.3.1 Spatial allocation ancillary files.............................................................................................

............. 39 3.3.2 Chemical speciatio n ancillary files............................................................................................

.......... 41 3.3.3 Temporal allocatio n ancillary files............................................................................................

.......... 47

4 EMISSION SUMMARIES.............................................................................................................

................. 48

5 REFERENCES.....................................................................................................................

............................ 62iii 

## Acronyms

BEIS Biogenic Emissions Inventory System CAA Clean Air Act CAIR Clean Air Interstate Rule CAMR Clean Air Mercury Rule CAM X Comprehensive Air Quality Model with Extensions CARB California Air Resources Board CAP Criteria Air Pollutant CHIEF Clearinghouse for Inventories and Emissions Factors CMAQ Community Multiscale Air Quality model CO Carbon monoxide EGU Electric generating units EPA Environmental Protection Agency EMFAC Emission Factor (California’ s onroad mobile model) FIPS Federal Information Processing Standards HAP Hazardous Air Pollutant HGNRVA Natural, Recycyled, Volcanic and Anthropogenic Elemental Mercury IPM Integrated Planning Model MCIP Meteorology-Chemistry Interface Processor MOBILE OTAQ’s model for estimation of onr oad mobile emissions factors MP Multi-pollutant NEI National Emission Inventory NESHAP National Emission Standards for Hazardous Air Pollutants NH3 Ammonia NMIM National Mobile Inventory Model ORD Office of Research and Development NONROAD OTAQ’s model for estimation of nonroad mobile emissions NO X Nitrogen oxides OTAQ EPA’s Office of Transpor tation and Air Quality PM Particulate matter PM 2.5 Particulate matter less than or equal to 2.5 microns PM 10 Particulate matter less than or equal to 10 microns POTW Publicly-Owned Treatment Works RIA Regulatory Impact Analysis RPO Regional Planning Organization SCC Source Classification Code SMOKE Sparse Matrix Operator Kernel Emissions SOCMI Synthetic Organic Chemi cal Manufacturing Industry SO 2 Sulfur dioxide TSD Technical support document VOC Volatile organic compounds VMT Vehicle miles travelediv 

## List of Tables

Table 2-1. HAPs used for the 2002 CAP+HAP Platform.............................................................. 7 Table 2-2. Sectors Used in Emissions Modeling for the 2002 CAP+HAP Platform .................. 13 Table 2-3. Pollutants computed for pt fire sector and emissions factors...................................... 16 Table 2-4. Nonptfire data for CAPs and HAPs............................................................................ 19 Table 2-5. Onroad Pollutants and their corresponding modes..................................................... 20 Table 2-6. NEI HAPs included for aircraft, lo comotive and commercial marine vessel (CMV)

sources........................................................................................................................

........... 23 Table 3-1. Key emissions modeling steps for the CAP+HAP Platform by sector ...................... 28 Table 3-2. Descriptions of the Grids for the 2002 CAP+HAP Platform ..................................... 31 Table 3-3. Model Species produced by SM OKE for CB05, 2002 CAP-only and CAP+HAP Platform.......................................................................................................................

.......... 32 Table 3-4. HAP model species added to CB 05 model species for the CMAQ MP Model ......... 33 Table 3-5. Options for Combin ing HAP VOC with CAP VOC fo r different types of HAP VOC

............................................................................................................................... ................ 34 Table 3-6. Use of HAP VOC in the 2002 CAP+HAP Platform .................................................. 37 Table 3-7. Temporal Settings Used for the Platform Sectors in SMOKE................................... 39 Table 3-8. List of Airpor ts Modified in ARTOPNT.................................................................... 41 Table 3-9. Example profiles for HAPs fo r integrate and no-i ntegrate cases ............................... 43 Table 3-10. Criteria used to determine the sour ces for which the “integrate” case applies ........ 46 Table 4-1. Speciated Anthropogenic Mercury Emi ssions by US State and by Sector within the 36 km CONUS Domain (i .e., the lower 48). ........................................................................ 48 Table 4-2. Mercury Emissions from non- NEI anthropogenic sectors [tons/year]....................... 53 Table 4-3. Mercury Emissions from non-anthropogenic sources [tons/year].............................. 53 Table 4-4. Sector Emission Tota ls From 2002 MP Platform for CONUS domain (i.e. the lower 48 states, plus DC, tribal data).............................................................................................. 54 Table 4-5. Summary of VOC a nd VOC HAP emissions used in VOC HAP integration. From 2002 MP Platform for CONUS doma in (i.e. the lower 48 states , plus DC, tribal data)....... 58



## List of Figures

Figure 3-1. CMAQ modeling domain for the CAP+HAP runs. ................................................... 30 Figure 3-2 Combining HAP and CAP Inventories ...................................................................... 36 Figure 3-3. The Multiple Geogra phic Coordinates Assigned to Detr oit International Airport in the Updated ARTOPNT SM OKE Ancillary File ................................................................. 40v 

## List of Appendices

APPENDIX A: List of all HAPs in the NEI APPENDIX B: Emission summaries by state and sector APPENDIX C: Modification of the 2002 NEI v3 emissions in the Detroit Area6 

## 1 Introduction

This volume describes the emissions invent ory and emissions modeling for the 2002-based multi-pollutant platform that includes both Criter ia Air Pollutants (CAPs) and Hazardous Air Pollutants (HAPs). In particular, it describes th e emission inputs to the multi-pollutant version of CMAQ, which estimates concentrations and deposition of ozone, particulate matter and approximately 40 air toxics. This report focuse s on the differences in emissions inputs and processing techniques between the 2002-based plat form for CAPs, described in Volume II and the 2002-based multi-pollutant platform for which toxic air pollutants, or HAPs, were added. We refer to the 2002-based platform for CAPs as “CAP-only” in the remainder of this document.

This platform was developed by the U.S. E nvironmental Protection Agency (EPA) from primarily the EPA’s 2002 version 3 National Emi ssions Inventory (NEI), which contains both CAPs and HAPs. As such, it is considered version 3.0 of the 2002-based multi-pollutant (MP) platform; we denote it for the remainde r of this document as “CAP+HAP.”

Much of the data, tools and ancillary files ar e identical to those used in the 2002 CAP-only platform, which is documented in Volu me II. The key differences are that: (1) In addition to the CAPs, we used the HAPs in the 2002 NEI to generate model-ready emissions for the approximately 40 toxics species in the CMAQ MP model; (2) We used the HAPs in the NEI as part of the VOC speciation process; (3) We prepared additional non-anthropogenic emission data for elemental mercury and chlorine (in addition to the NEI emissions); (4) We prepared emissions only for a 2002 m odel evaluation case; that is, we did not prepare a 2002 base case or any future year cases; (5) The 12 km domain was limited to a small 12 km Eastern grid (the 36 km domain was the same as in the CAP-only Platform); and, (6) Emissions for the 12 km domain were modified from those in the 36 km domain to incorporate local scale data for the Detroit area; these data affected both CAPs and HAPs in the nonpt and alm sectors.

The main challenges of processing HAPs and CA Ps for the CMAQ MP model are the overlap of CAP and HAP emissions, which could lead to double counting of emissions, and the incommensurability, or inconsistency, in the CA P and HAP emissions data. The potential for double counting arises because HAPs are not mutu ally exclusive of CAPs. Some HAPs are VOCs, such as benzene and other organic co mpounds we call “HAP VOCs”), and some HAPs are particulate matter (PM), such as manganese and other metals. For PM HAPs, 2 we processed the HAPs separately from the PM, and did not ad just or incorporate th e HAP PM mass into the criteria PM. This is because the HAP PM ma ss does not influence the model chemistry. For HAP VOCs, we developed special processing te chniques to incorporate or combine the HAP VOCs with the CAP VOC in a manner that atte mpted maximal use of the HAP inventory and prevented double counting of emissions. The speci ation emissions processi ng step needed these special processing techniques, as discussed in Section 3.2.2 and 3.3.2.

2 With the exception of diesel PM, which is technically not a HAP, but is considered an air toxic and is simulated by the CMAQ MP model. Diesel PM mass was computed as PM from diesel engines, and was processed using PM emissions, in a way that it did not impact the mass of PM.7 Another challenge of combining the HAP and CAP emissions is the incommensurability of emissions estimates between HAPs and CAPs across sources. For example, a source may have more hexane (a HAP VOC) than VOC, or a sour ce with VOC from a combustion process that is expected to also have formaldehyde (a HAP VOC), does not have formaldehyde emissions.

Section 2 describes the emission inputs to SMOKE for the 2002 CAP+HAP Platform, focusing on the addition of HAP emissions inputs, and the consistency between the HAP VOCs and CAP VOC. Section 3 discusses the emission processi ng approach, focusing on the methods developed to combine HAP VOCs and CAP VOC. Section 4 presents emission summaries, and Section 5 provides references.

Data files, summaries and SM OKE run scripts associated wi th the CAP+HAP Platform are available at http://www.epa.gov/ttn/chief/emch/index.html#2002 , under the heading, “CAP and HAP 2002-Based Platform, Version 3.” 

## 2 2002 emission inventories and approaches- differences between CAP+HAP and CAP-only
Similar to the CAP-only Platform, the 2002 NEI vers ion 3 is the primary basis for the emissions for the CAP+HAP platform. The NEI contains emissions for both HAPs and CAPs. The HAP list originates from Section 112(b) of the Clean Air Act (CAA), as amended in 1990. Pollutants or categories of pollutants currentl y defined as HAPs can be found at http://www.epa.gov/ttn/atw/pollsour.html , which presents the original list and all modifications.

The CAP+HAP platform uses both HAPs and CAPs from the 2002 NEI. Unlike the CAP inventory in which we used all pollutants for the CAP-only platform, numerous HAPs are included in the NEI that we did not use in the CAP+HAP platform. While they were present in the emission inputs to SMOKE, they were dr opped in the first SMOKE processing program, Smkinven. We only used the NEI HAPs that are: (1) HAP model species, that is, concentrations are generate d by the CMAQ MP model, or (2) HAP VOCs that we chose as candidates for use in speciation, based on how geographically represented they were as components of VOC (see Section 3.3.2).

Table 2-1 provides the HAPs in the NEI that are used in the platform, and describes how they were used (i.e., model species, VOC speciation, or both). A complete li st of HAPs in the 2002 NEI is provided in Appendix A.

Table 2-1. HAPs used for the 2002 CAP+HAP Platform

Pollutant Code in NEI Pollutant Code Description Modeled by CMAQ? Used for VOC Speciation? Section 112 HAP CATEGORY (if different from NEI pollutant) 79345 1,1,2,2-Tetrachloroethane Yes No 106990 1,3-Butadiene Yes Yes 542756 1,3-Dichloropropene Yes No 106467 1,4-Dichlorobenzene Yes Yes8 Pollutant Code in NEI Pollutant Code Description Modeled by CMAQ? Used for VOC Speciation? Section 112 HAP CATEGORY (if different from NEI pollutant) 540841 2,2,4-Trimethylpentane No Yes 584849 2,4-Toluene Diisocyanate Yes Yes 75070 Acetaldehyde Yes Yes 98862 Acetophenone No Yes
107028 Acrolein Yes Yes 107131 Acrylonitrile Yes No
71432 Benzene Yes Yes 109 Beryllium & Compounds Ye s No Beryllium Compounds 1304569 Beryllium Oxide Yes No Beryllium Compounds 7440417 Beryllium Yes No Beryllium Compounds 92524 Biphenyl No Yes 117817 Bis(2-Ethylhexyl)Phthalate No Yes 10325947 Cadmium Nitrate Yes No Cadmium Compounds 125 Cadmium & Compounds Yes No Cadmium Compounds 1306190 Cadmium Oxide Yes No Cadmium Compounds 543908 Cadmium acetate Yes No Cadmium Compounds 7440439 Cadmium Yes No Cadmium Compounds
75150 Carbon Disulfide No Yes
56235 Carbon Tetrachloride Yes Yes 7782505 Chlorine Yes No 108907 Chlorobenzene No Yes
67663 Chloroform Yes Yes 10060125 Chromium Chloride, Hexahydrate Yes No Chromium Compounds
10101538 Chromic Sulfate Yes No Chromium Compounds 10294403 Barium Chromate Yes No Chromium Compounds 10588019 Sodium Dichromate Yes No Chromium Compounds 11103869 Zinc Potassium Chromate Yes No Chromium Compounds
12018018 Chromium Dioxide Yes No Chromium Compounds 12018198 Chromium Zinc Oxide Yes No Chromium Compounds 1308141 Chromium Hydroxide Yes No Chromium Compounds 1308389 Chromic Oxide Yes No Chromium Compounds
1333820 Chromium Trioxide Yes No Chromium Compounds 13530659 Zinc Chromate Yes No Chromium Compounds
13530682 Chromic Sulfuric Acid Yes No Chromium Compounds 136 Chromium & Compounds Yes No Chromium Compounds 13765190 Calcium Chromate Yes No Chromium Compounds

14307336 Chromic acid (H2Cr2O7), calcium salt (1:1) Yes No Chromium Compounds
16065831 Chromium III Yes No Chromium Compounds 18540299 Chromium (VI) Yes No Chromium Compounds 50922297 Zinc Chromite Yes No Chromium Compounds
7440473 Chromium Yes No Chromium Compounds 7738945 Chromic Acid (VI) Yes No Chromium Compounds
7775113 Sodium Chromate Yes No Chromium Compounds 7778509 Potassium Dichromate Yes No Chromium Compounds 7788989 Ammonium chromate Yes No Chromium Compounds9 Pollutant Code in NEI Pollutant Code Description Modeled by CMAQ? Used for VOC Speciation? Section 112 HAP CATEGORY (if different from NEI pollutant) 7789006 Potassium Chromate Yes No Chromium Compounds 7789062 Strontium Chromate Yes No Chromium Compounds 7789095 Ammonium Dichromate Yes No Chromium Compounds

106445 p-Cresol No Yes Cresol/Cresylic Acid (Mixed Isomers)

108394 m-Cresol No Yes Cresol/Cresylic Acid (Mixed Isomers)

1319773 Cresol No Yes Cresol/Cresylic Acid (Mixed Isomers)

95487 o-Cresol No Yes Cresol/Cresylic Acid (Mixed Isomers)
98828 Cumene No Yes 84742 Dibutyl Phthalate No Yes 131113 Dimethyl Phthalate No Yes 75003 Ethyl Chloride No Yes 100414 Ethyl Benzene No Yes 106934 Ethylene Dibromide Yes No 107062 Ethylene Dichloride Yes Yes 107211 Ethylene Glycol No Yes 75218 Ethylene Oxide Yes Yes 50000 Formaldehyde Yes Yes 822060 Hexamethylene Diisocyanate Yes No
110543 Hexane No Yes 302012 Hydrazine Yes No 7647010 Hydrochloric Acid Yes No 10099748 Lead Nitrate Yes No Lead Compounds 1309600 Lead Dioxide Yes No Lead Compounds 1317368 Lead (II) Oxide Yes No Lead Compounds
1335326 Lead Subacetate Yes No Lead Compounds
18454121 Lead Chromate Oxide Yes No Lead Compounds 195 Lead & Compounds Yes No Lead Compounds
301042 Lead Acetate Yes No Lead Compounds 602 Lead Compounds (Inorganic) Yes No Lead Compounds

603 Lead Compounds (Other Than Inorganic) Yes No Lead Compounds 7439921 Lead Yes No Lead Compounds
7446142 Lead Sulfate Yes No Lead Compounds 7758976 Lead Chromate Yes No Lead Compounds 7784409 Lead Arsenate Yes No Lead Compounds 78002 Tetraethyl Lead Yes No Lead Compounds 108316 Maleic Anhydride Yes No

12079651 Manganese, tricarbonyl (.eta.5-2,4- cyclopentadien-1-yl)- Yes No Manganese Compounds 1313139 Manganese Dioxide Yes No Manganese Compounds 1317346 Manganese Trioxide Yes No Manganese Compounds 1317357 Manganese Tetroxide Yes No Manganese Compounds 198 Manganese & Compounds Yes No Manganese Compounds10 Pollutant Code in NEI Pollutant Code Description Modeled by CMAQ? Used for VOC Speciation? Section 112 HAP CATEGORY (if different from NEI pollutant) 7439965 Manganese Yes No Manganese Compounds 7785877 Manganese Sulfate Yes No Manganese Compounds 199 Mercury & Compounds Yes No Mercury Compounds 200 Elemental Gaseous Mercury Yes No Mercury Compounds 201 Gaseous Divalent Mercury Yes No Mercury Compounds 202 Particulate Divalent Mercury Yes No Mercury Compounds 22967926 Mercury (Organic) Yes No Mercury Compounds 7439976 Mercury Yes No Mercury Compounds 7487947 Mercuric Chloride Yes No Mercury Compounds
67561 Methanol Yes Yes 74873 Methyl Chloride No Yes 78933 Methyl Ethyl Ketone 3 No Yes 108101 Methyl Isobutyl Ketone No Yes 80626 Methyl Methacrylate No Yes 1634044 Methyl Tert-Butyl Ether No Yes 75092 Methylene Chloride Yes No 68122 N,N-Dimethylformamide No Yes 91203 Naphthalene Yes Yes 10101970 Nickel (II) Sulfate Hexahydrate Yes No Nickel Compounds
12035722 Nickel Subsulfide Yes No Nickel Compounds 13138459 Nickel Nitrate Yes No Nickel Compounds 1313991 Nickel Oxide Yes No Nickel Compounds 13463393 Nickel Carbonyl Yes No Nickel Compounds 13770893 Nickel Sulfamate Yes No Nickel Compounds 226 Nickel & Compounds Yes No Nickel Compounds
373024 Nickel Acetate Yes No Nickel Compounds
7440020 Nickel Yes No Nickel Compounds 7718549 Nickel Chloride Yes No Nickel Compounds
7786814 Nickel Sulfate Yes No Nickel Compounds 108952 Phenol No Yes 120127 Anthracene No Yes Polycyclic Organic Matter 129000 Pyrene No Yes Polycyclic Organic Matter 191242 Benzo[g,h,i,]Perylene No Yes Polycyclic Organic Matter
206440 Fluoranthene No Yes Polycyclic Organic Matter 208968 Acenaphthylene No Yes Polycyclic Organic Matter 83329 Acenaphthene No Yes Polycyclic Organic Matter
85018 Phenanthrene No Yes Polycyclic Organic Matter
86737 Fluorene No Yes Polycyclic Organic Matter 193395 Indeno[1,2,3-c,d]Pyrene No Yes Polycyclic Organic Matter 205992 Benzo[b]Fluoranthene No Yes Polycyclic Organic Matter 207089 Benzo[k]Fluoranthene No Yes Polycyclic Organic Matter 218019 Chrysene No Yes Polycyclic Organic Matter 50328 Benzo[a]Pyrene No Yes Polycyclic Organic Matter

3 No longer a HAP, but still used in the 2002 Platform11 Pollutant Code in NEI Pollutant Code Description Modeled by CMAQ? Used for VOC Speciation? Section 112 HAP CATEGORY (if different from NEI pollutant) 53703 Dibenzo[a,h] Anthracene No Yes Polycyclic Organic Matter 56553 Benz[a]Anthracene No Yes Polycyclic Organic Matter 192972 Benzo[e]Pyrene No Yes Polycyclic Organic Matter 198550 Perylene No Yes Polycyclic Organic Matter 123386 Propionaldehyde No Yes 78875 Propylene Dichloride Yes No 75569 Propylene Oxide No Yes 91225 Quinoline Yes No 100425 Styrene No Yes
127184 Tetrach loroethylene Yes No 108883 Toluene Yes Yes 79016 Trichloroethylene Yes Yes 121448 Triethylamine Yes Yes 108054 Vinyl Acetate No Yes 75014 Vinyl Chloride Yes No 106423 p-Xylene Yes Yes 108383 m-Xylene Yes Yes

1330207 Xylenes (Mixture of o, m, and p Isomers) Yes Yes 95476 o-Xylene Yes Yes

We used the nearly the same platform sectors as the CAP-only Platform. We list the differences below. (1) We did not have an avefire sector because we did not run a 2002 base case or any future

cases. (2) We created additional sectors (othpt_hg and othar_hg) for mercury emissions from data sources other than the NEI. Mercury is the only HAP in these sectors and is only available in Canada. (3) The California nonroad HAP emissions i nput to SMOKE were annual temporal resolution instead of monthl y. Nonroad HAPs for other states and nonroad CAPs for California used monthly temporal resolution. (4) We created the nonpt_det and alm_det sectors, which contained Det roit-specific CAP and HAP inventory improvements for particular s ources in these sectors. We used these sectors in place of nonpt and alm for the 12 km grid. The nonpt_det sector contained modifications to solvents, and residentia l wood combustion emissions, and the alm_det contained modifications, to locomotive and co mmercial marine emissions in the Detroit area that were developed to capture local emissions for th e Detroit area. Appendix B provides more detail on the emission modifica tions made to these source categories.

For most sectors, we included the HAP emissi ons inputs in separate SMOKE-ready files from the CAPs. For the ptfire sector, HAPs and CAPs are contained w ithin the same file.

The SMOKE emission inventory inpu ts for 2002 are available at the http://www.epa.gov/ttn/chief/emch/index.html#2002 , under the links “CAP and HAP 2002-12 Based Platform, Version 3,” and “Data Files” (s ee “2002emis”directory). The “readme” file in that directory indicates the pa rticular zipped files associated with each platform sector.

Table 2-2 presents the platform sectors in th e 2002-MP platform and indicates which sectors contain HAP emissions. More information on the spatial and temporal resolution of the sectors can be found in Volume II.13 Table 2-2. Sectors Used in Emissions Modeling for the 2002 CAP+HAP Platform

PLATFORM SECTOR 2002 NEI SECTOR Description Contains HAP emissions? IPM sector: ptipm Point NEI EGU processes at facilities mapped to the IPM model using the National Electric Energy Database System (NEEDS) database. Yes.

Non-IPM sector: ptnonipm Point All NEI point source records not matched to the ptipm
sector. Yes.

Point source fire sector: ptfire Fires Point source fire inventory - contains wildfires and prescribed burning. Yes

Nonpt fire sector: nonptfire Fires and Nonpoint Prescribed burning fires at county level Yes

Agricultural sector:
ag Nonpoint NH3 emissions from NEI nonpoint livestock and fertilizer application. No

Area fugitive dust sector: afdust Nonpoint PM10 and PM2.5 from f ugitive dust sources from the NEI nonpoint inventory. No

Remaining nonpoint sector: nonpt (36 km) and nonpt_det (12 km * Nonpoint All nonpoint sources not otherwise included in other SMOKE sectors. Yes

Nonroad sector: nonroad Mobile: Nonroad Nonroad emissions from National Mobile Inventory Model (NMIM) using NONROAD2005, other than for California, in which emissions submitted by the California Air Resources Board (CARB) were used. CARB data for HAPs are annual, other data are monthly. Yes

Aircraft, locomotive, marine: alm (36 km) and alm_det (12 km)* Mobile: Nonroad Aircraft, locomotive, commercial marine. Yes

Onroad: onroad Mobile: onroad Onroad mobile sources from the MOBILE6 model via NMIM other than for California, in which emissions submitted by the CARB were used. Yes

Biogenic: biog N/A Hour-specific emissions generated from the BEIS3.13 model (includes emissions in Canada and Mexico) run with SMOKE. No

Other point sources not from the NEI: othpt N/A Point sources from Canada’s 2000 inventory, Mexico’s 1999 inventory, and off-shore point sources from the 2001 platform No

Other nonpoint and nonroad not from the NEI: othar N/A Canada and Mexico nonpoint and nonroad mobile inventories No

Other onroad sources not from the NEI: othon N/A Canada and Mexico onroad mobile inventories No

Other point mercury: othpt_hg N/A Canada point Hg Yes, Hg only

Other nonpoint mercury: othar_hg N/A Canada nonpoint Hg Yes, Hg only

We used the sectors “alm_det” and “nonpt_det for the 12 km grid. We modified emissions of certain sources in these sectors to provide a more locally representative prof ile of multiple CAP and HAP, and consistently estimated, pollutant emissions. The purpose of this modification was to use the 12 km results for the Detroit Multi-pollutant Study.14 In addition to the above sectors, we included two additional gridded emissions datasets to create the CMAQ-ready emissions: (1) natural mercury, volcanic mercury, recycled mercury and (2) ocean chlorine. Section 2.6 describes th e development of these inventories.



### 2.1 2002 Point sources (ptipm and ptnonipm) The 2002 point-source emissions are based on the Version 3.0 of the 2002 NEI. Documentation for the development of the point source NEI is at: ftp://ftp.epa.gov/EmisInventory/200 2finalnei/documentation/point/ 2002nei_final_point_source_documentation0206.pdf and is the same as that referenced in Volume I.

Although the point-source inventory contains bot h CAPs and HAPs, the development of the inventory was not always done using a consistent approach. This means that the 2002 NEI can have emission records for the same facility for which CAPs use one facility identifier and HAPs use another identifier. When this happens, the re cords for one facility id entifier has only CAPs and no HAPs (or vice versa), simply because the data were either not reported or reported using a different facility identifier. For example, a facility identifier used only for submitting HAP records may include a number of HAP VOCs such as benzene, and formaldehyde, but will exclude VOC because it is a CAP. Ideally, this same facility would in clude a VOC number that is consistent with the HAP VOC by being greate r than or equal to the sum of the HAP VOCs. Instead, that VOC is either not available or available using a different facility identifier.

There are valid reasons for the HAP and CAP data not always being consistent . Primarily, this is caused by the data being compiled from different da ta sources. Since Stat es are not required to submit HAP emissions as part of the CAA, th ey may only provide CAP estimates for their facilities. HAP emissions may come from state submittals, but are also often filled in with data collected by EPA HAP rule developers (e.g., for National Emission Standards for Hazardous Air Pollutants or Residual Risk Standards) or the Toxic Release Inventory (TRI). VOC emissions are usually only provided from state submittals; in contrast, TRI is often used to gap-fill HAPs and NH3. While there are valid reasons for these inconsistencies, using these data posed some additional challenges that are explained in Section 3.

For purposes of modeling these data in SMOKE, we separated the CAP and HAP records into different data files. We did th is in part to make the files smaller and in part because the CAP-only processing was faster an d simpler without the HAP data present. Further the CAP processing needed to be completed before the HAP data were available. We made the same changes prior to modeling as for the CAP emissions (described in Volume II, Section 2.1) except that we did not treat any point HAP emissions as fugitive dust sources, which would have needed transport fractions applied. We chose this appr oach because we could not confirm that the HAP emissions from the point fugitive dust SCCs we re actually fugitive dust sources, since non-PM HAPs were also included for some of these SCCs. In any case, the quantity of emissions from these state-submitted data was very small.

Similar to the CAPs, the point-source HAP emissions were separated into tw o platform sectors: ptipm and ptnonipm. The same set of emissi on units (using the NEI variable Unit ID) for15 splitting the CAP emissions into ptipm versus pt nonipm modeling sectors was used to split the HAP emissions into these two sectors. This a pproach is described in Volume 1, Section 2.2.1. For this approach to be effective across the CA P and HAP inventory reco rds, it requires using the same set of Facility and Unit IDs for both HAP and CAP emissions. A large number of HAP emission records with IDs created by EPA early in the 2002 NEI development had to be revised to match the State/Local/Tribal-provided IDs as part of the 2002 NEI v3 updates. For some Facility IDs however, this necessa ry integration of HAP and CAP IDs was not in place before we created the HAP SMOKE input file. As a result, so me of these facilities were included in the ptnonipm sector when they should have been incl uded in the ptipm sector. In particular, we found Facility IDS that began with “EGU” in ptnonipm that belonged in ptipm.

We created day-specific emissions for the HAPs in the ptipm sector in the same way we created them for the CAPs (see Volume 1, Section 2.1.1). For units with CEM data, we used the CEM’s hourly heat input data to allocate the HAP annual emissions to hourly values.



### 2.2 2002 Nonpoint sources (afdust, ag, nonpt/nonpt_det) As shown in Table 2-1, the afdust and ag s ectors do not contain HAP emissions; no changes were made to these sectors for the CAP+HAP plat form. For the nonpt sector, we made the same changes to the HAPs as we made to the CAPs (discussed in Section 2.2.3 of Volume II) for the 36 km grid.

For the 12 km grid, we used a modified the nonpt sector, “nonpt_det.” For this sector, the HAP and CAP emissions for the solvents and reside ntial wood combustion cate gories were replaced with local scale emissions for th e Detroit area. The Detroit modi fications are discussed in more detail in Appendix B.

The HAP emissions for the 2002 nonpoint se ctor of the NEI are documented in: ftp://ftp.epa.gov/EmisInventory/200 2finalnei/documentation/nonpoint/ 2002nei_final_nonpoint_documentation0206version.pdf

The development of HAP emissions for Portable Fuel Containers ( PFCs) is not described at the above link, but rather in the Technical Support Document (TSD) for the National Scale Modeling of Air Toxics for the Final Mobile Source Ai r Toxics Rule (EPA, 2007). The following HAPs are present in the PFC inventory: ethyl be nzene; hexane; methyl tert-butyl ether; 2,2,4 trimethylpentane; benzene; na phthalene; toluene and xylenes.

EPA created the PFC HAPs using the county an d SCC-level VOC emissions (described in Volume II). For PFC HAPs other than benzene, HAP emissions were created by multiplying the county-level PFC VOC emissions by the county- level ratio of HAP Light Duty Gasoline Vehicle) (LDGV) evaporative emissions to VOC LDGV evaporative emissions. We computed benzene by applying a factor based on an adjusted county-level ratio of refueling benzene to refueling VOC. The specific adjustment for be nzene and formulas used for benzene and the other HAPs are provided in the TSD referenced above (EPA, 2007).16 EPA also generated some HAP emissions records to gap-fill where states did not provide HAPs. Generally, for the EPA-generated nonpoint sour ce data, HAP and CAP inventory records used the same source attributes (i.e., SCCs) and used the same underlying activity. EPA multiplied consistent activity values with both HAP and CAP emissions factors. While it is not guaranteed that HAP emissions factors are consistent with the CAP factors, (e.g., they may have been developed from separate studies) th e use of consistent activity data is a significant step towards consistent emissions estimates. For the stat e-submitted data, there may be HAPs but no CAPs for a given SCC, or vice versa, depending upon wh ether a state chose to submit HAP data with their CAP data.



### 2.3 Fires (ptfire, nonptfire) The fire sectors for the 2002 CAP+HAP platform represent year 2002-specific fires. The daily SMOKE-ready ptfire data contain both HAP and CA P records in the same files, with one file created for each month. EPA computed the HAP emissions using the same methods as the CAPs. The following table shows the emissions f actors for each of the pollutants computed for point-source fires.

Table 2-3. Pollutants computed for p tfire sector and emissions factors

Pollutant Pollutant Code Emissions Factor Units
Ammonia NH3 Volatile Organic Compounds VOC Nitrogen Oxides NOx Sulfur Dioxide SO2 Methane CH4 Carbon Monoxide CO PM 2.5 PM2_5 See Air Sciences Report (Air Sciences, 2007)

PM 10 PM10 PM10 = 1.18*PM2.5 1,3-butadiene 106990 0.405 LB/TON Fuel Consumed acetaldehyde 75070 0.40825 LB/TON Fuel Consumed
acrolein 107028 0.424 LB/TON Fuel Consumed
anthracene 120127 0.005 LB/TON Fuel Consumed benz(a)anthracene 56553 0.0062 LB/TON Fuel Consumed
benzene 71432 1.125 LB/TON Fuel Consumed benzo(a)fluoranthene 203338 0.0026 LB/TON Fuel Consumed benzo(a)pyrene 50328 0.00148 LB/TON Fuel Consumed benzo(c)phenanthrene 195197 0.0039 LB/TON Fuel Consumed benzo(e)pyrene 192972 0.00266 LB/TON Fuel Consumed benzo(ghi)perylene 191242 0.00508 LB/TON Fuel Consumed benzo(k)fluoranthene 207089 0.0026 LB/TON Fuel Consumed
Benzofluoranthenes +++ 56832736 0.00514 LB/TON Fuel Consumed carbonyl sulfide 463581 0.000534 LB/TON Fuel Consumed chrysene 218019 0.0062 LB/TON Fuel Consumed
fluoranthene 206440 0.00673 LB/TON Fuel Consumed formaldehyde 50000 2.575 LB/TON Fuel Consumed indeno(1,2,3-cd)pyrene 193395 0.00341 LB/TON Fuel Consumed17 methyl chloride 74873 0.128325 LB/TON Fuel Consumed methylanthracene 26914181* 0.00823 LB/TON Fuel Consumed methylbenzopyrenes 247** 0.00296 LB/TON Fuel Consumed methylchrysene 248 0.0079 LB/TON Fuel Consumed 1-Methylpyrene 2381217 0.00905 LB/TON Fuel Consumed
n-hexane 110543 0.0164025 LB/TON Fuel Consumed o,m,p-xylene 1330207 0.242 LB/TON Fuel Consumed perylene 198550 0.000856 LB/TON Fuel Consumed phenanthrene 85018 0.005 LB/TON Fuel Consumed pyrene 129000 0.00929 LB/TON Fuel Consumed
toluene 108883 0.56825 LB/TON Fuel Consumed +++ The emissions for Benzofluoranthenes duplicate the individual compounds of benzo(k)fluoranthene and benzo(a)fluoranthene. Therefore it should be dropped from the ptfire files. *Although 26914181 is in the ptfire files, it is an in valid pollutant code. The actual valid pollutant code for methylanthr acene is 26714181. ** Although 247 is in the ptfire files, it is an i nvalid pollutant code. Should use valid pollutant code for methylbenzopyrene 65357699 *** Although 248 is in the ptfire files, it is an invalid pollutant code. Should use valid pollutant code for methylchrysene 41637905

The HAP factors are the same as those used in the 1996 NTI (documentation at http://www.epa.gov/ttn/chief/old/eidata/96area_may2001.pdf ) , and were from a number of different sources. Emission factors for benzene, but adiene, and formaldehyde were from the 112k inventory documentation (EPA, 1997). The emission factors for acrolein, acetaldehyde, carbonyl sulfide, methyl chloride, toluene, and xy lenes were obtained from Ward, et al. (1993). The emission factors for polycyclic aromatic compounds were obtained from the POM L and E report (EPA, 1998).

The nonptfire sector contains Georgia prescrib ed burning, which utili ze the above emissions factors and similar procedures as other prescrib ed point-source fires; however, these emissions were summed to the county level because the data were not temporally allocated by day of month. It would not have made sense to have po int-source fires in one location for an entire month.

We also found other county-level prescribed burning data in the nonpoint NEI which we included in the nonptfire sector. For Maryland and North Carolina, only CAPs were included. Texas provided both CAPs and HAPs; however, we do not know whether the HAPs and CAPs were computed consistently.18 Table 2-4 provides the States, SCCs, and polluta nts contained in the nonp tfire sector for the CAP+HAP Platform.19 Table 2-4. Nonptfire data for CAPs and HAPs.

State SCCs HAPs CAPs Georgia 28100150F0, 28100050F0 Same as in Table 2-3 Same as in Table 2-3

Texas 2810005000 Ethyl Benzene, Styrene, 1,3- Butadiene, Acrolein, Toluene, Phenol, Hexane, Propionaldehyde, Xylenes (Mixture of o, m, and p Isomers), 15- PAH, Formaldehyde, Methanol, Benzene, Methyl Bromide, Methyl Chloride, Methyl I odide, Acetonitrile Acetaldehyde, Methyl Ethyl Ketone CO, NH3, NOX PM10, PM2.5 VOC

North Carolina 2810005000 none CO, NOX, VOC Maryland 2810005000 none CO, NOX, VOC PM10, PM2.520 

### 2.4 2002 Mobile sources (onroad, nonroad, alm) The EPA Office of Transportation and Air Qual ity (OTAQ) generated most of the mobile emissions using the National Mobile Inventor y Model (NMIM); the onl y exceptions were for onroad and nonroad emissions from California a nd emissions from aircraft, locomotive, and commercial marine sources (“alm” sector). Unlike stationary sour ces, the mobile-source inventory sectors have a limited number of HAPs fr om the full set listed in Appendix A; we list them below in Table 2-5 and Table 2-6.

The NMIM model uses the same inputs to compute HAPs at the same time as CAPs; therefore, we deemed the HAP and CAP estimates to be consistent. However, for some SCCs (e.g., liquid petroleum gas fueled nonroad equipment), only VOC , not HAPs, are availabl e in the inventory.

We put the CAPs and HAPs in separate SMOKE-r eady files to reduce file sizes and because the CAP-only version of the platform was created first.



### 2.4.1 Onroad mobile sources (onroad sector) As with the CAP-only platform, we used the NM IM-generated emissions in the onroad sector with the exception of California. The California Air Resources Bo ard (CARB) submitted annual onroad emissions, and we converted them to monthly emissions for the CAP+HAP platform using NMIM for calculating month-specific aver age-day emissions. Thus, we used monthspecific emissions for both CAP and HAP onroad emissions, which account for temperature, fuel types, and other variables that vary by month. Similar to CAPs, we did not use the refueling onroad HAP emissions generated by NMIM, since th e NEI contains onroad refueling emissions in the nonpoint inventory (i.e., gasoline dist ribution, Stage II, SCC=2501060100). The refueling emissions were therefore removed from the NMIM outputs prior to generating the SMOKEready inventory files.

As with the CAPs, the NMIM computes HAP by emissions mode. Table 2-5 shows the modes for specific CAPs and HAPs in the onroad invent ories. Some HAP VOCs are only in the exhaust mode whereas others are both in exhaust and eva porative modes. The metals are only in the exhaust mode. Table 2-5. Onroad Pollutants and their corresponding modes

Pollutant code Pollutant Evaporative Exhaust Brakewear Tirewear 100414 Ethyl Benzene 9 9 100425 Styrene 9 106990 1,3-Butadiene 9

107028 Acrolein 9

108883 Toluene 9 9
110543 Hexane 9 9
120127 Anthracene 9 123386 Propionaldehyde 921 Pollutant code Pollutant Evaporative Exhaust Brakewear Tirewear 129000 Pyrene 9 1330207 Xylene 9 9
1634044 MTBE 9 9 18540299 Chromium (Cr6+) 9 191242 Benzo(g,h,i)perylene 9 193395 Indeno(1,2,3,c,d)pyrene 9 19408743 1,2,3,7,8,9-Hexachlorodibenzo-p-Dioxin 9

205992 Benzo(b)fluoranthene 9

206440 Fluoranthene 9 207089 Benzo(k)fluoranthene 9 208968 Acenaphthylene 9 218019 Chrysene 9 3268879 Octachlorodibenzo-p-dioxin 9 35822469 1,2,3,4,6,7,8-Heptachlorodibenzo-p-Dioxin 9

39001020 Octachlorodibenzofuran 9 39227286 1,2,3,4,7,8-Hexachlorodibenzo-p-Dioxin 9 40321764 1,2,3,7,8-Pentachlorodibenzo-p-Dioxin 9 50000 Formaldehyde 9 50328 Benzo(a)pyrene 9
51207319 2,3,7,8-Tetrachlorodibenzofuran 9 53703 Dibenzo(a,h)anthracene 9 540841 2,2,4-Trimethylpentane 9 9 55673897 1,2,3,4,7,8,9-Heptachlorodibenzofuran 9 56553 Benz(a)anthracene 9
57117314 2,3,4,7,8-Pentachlorodibenzofuran 9
57117416 1,2,3,7,8-Pentachlorodibenzofuran 9
57117449 1,2,3,6,7,8-Hexachlorodibenzofuran 9 57653857 1,2,3,6,7,8-Hexachlorodibenzo-p-Dioxin 9

1746016 2,3,7,8-Tetrachlorodibenzo-p-Dioxin 9
60851345 2,3,4,6,7,8-Hexachlorodibenzofuran 9 67562394 1,2,3,4,6,7,8-Heptachlorodibenzofuran 9
70648269 1,2,3,4,7,8-Hexachlorodibenzofuran 9

71432 Benzene 9 9
72918219 1,2,3,7,8,9-Hexachlorodibenzofuran 9

7439965 Manganese 9

7440020 Nickel 9 16065831 Chromium (Cr3+) 9 75070 Acetaldehyde 9 83329 Acenaphthene 9

85018 Phenanthrene 9

86737 Fluorene 9 91203 Naphthalene 9 9

CO Carbon Monoxide 9

CO2 Carbon Dioxide 9

NH3 Ammonia 9 NOX Nitrogen Oxides 922 Pollutant code Pollutant Evaporative Exhaust Brakewear Tirewear PM10-PRI Primary PM10 (Filterables and Condensibles) 9 9 9 PM25-PRI Primary PM2.5 (Filterables and Condensibles) 9 9 9

SO2 Sulfur Dioxide 9 VOC Volatile Organic Compounds 9 9 200 Mercury (elemental gaseous) 9 201 Mercury (divalent gaseous) 9 202 Mercury (particulate) 9

93 Arsenic & compounds 9



### 2.4.2 Nonroad mobile sources –NMIM-based nonroad (nonroad) For this sector, we used the NMIM monthl y emissions, based on NONROAD2005 as discussed in Volume II, Section 2.5.2 for all states except for California where we used CARB-submitted data. The nonroad polluta nts are the same as the onroad, except that 1) there is also a refueling mode for all pollutants with an evaporative mode, 2) particulate pollutants have only the exhaust mode; no brake-wear or tire-wear modes and 3) California’s included additional HAPs that were not generated by NMIM such as cadmium, lea d, chlorine, methanol, cumene, methyl ethyl ketone and cresols.

As discussed in Volume II, Section 2.5.2, the CARB provided data to the NEI based on an alternative to NONROAD2005. The CARB data were annual and were not provided with the mode information. As indicated in Volume II, we disaggregated California’s CAP annual emissions and used the resultant monthly mode-s pecific California data for input into SMOKE. For the HAPs, however, we chose to input th e annual data into SMOKE such that SMOKE would perform the monthly temporalization. We provided SMOKE with m onthly profiles to use for California, which were based on region-specific activity data by equipment type. These data were consistent with those used with the NONROAD2005 model (EPA, 2005a). Based on a study of the different monthly a llocation approaches (Strum et. al., 2007), we determined that there was not a large difference resulting in the use of NMIM to disaggregate emissions versus use of the equipment activity te mporal profiles for California.

The California annual data did not include th e mode, but we didn’t need it for the HAPs, because, as discussed in Section 3, we did not integrate VOC with the HAP VOCs for any California nonroad sources.



### 2.4.3 Nonroad mobile sources: ai rcraft, locomotive and commercial marine (alm sector)
HAP emissions for the alm sector for the 36 km grid were from the NEI, and were developed similarly to the CAP emissions. They have a nnual resolution, and in clude a mixture of EPAgenerated estimates and state-deve loped estimates. The state estim ates were used for SCCs and counties for which states or loca l agencies provided data.23 For the 12 km grid, we used a modified the alm sector, “alm_det.” For this sector, the HAP and CAP emissions for the commercial marine and locomotive categories were replaced with local scale emissions for the Detroit area. The Detroi t modifications are discussed in more detail in Appendix B.

EPA computed the HAPs listed in Table 2-6 fo r aircraft, locomotive and commercial marine vessels.

Table 2-6. NEI HAPs included for aircraft, locomotive and commercial marine vessel (CMV) sources

Pollutant Code Po llutant Aircraft CMV Locomotive 100414 Ethyl Benzene 9 9 9 100425 Styrene 9 9 9
106990 1,3-Butadiene 9 9

107028 Acrolein 9 9 9

108883 Toluene 9 9 9

108952 Phenol 9

110543 Hexane 9 9 9

120127 Anthracene 9 9 9 123386 Propionaldehyde 9 9 9 129000 Pyrene 9 9 9 1330207 Xylenes (Mixture of o, m, and p Isomers) 9 9 9 191242 Benzo[g,h,i,]Perylene 9 9 9 193395 Indeno[1,2,3-c,d]Pyrene 9 9 9 195 Lead & Compounds 9 9 9 205992 Benzo[b]Fluoranthene 9 9 9

206440 Fluoranthene 9 9 9 207089 Benzo[k]Fluoranthene 9 9 9 208968 Acenaphthylene 9 9 9 218019 Chrysene 9 9 9 50000 Formaldehyde 9 9 9 50328 Benzo[a]Pyrene 9 9 9 53703 Dibenzo[a,h]Anthracene 9 540841 2,2,4-Trimethylpentane 9 9 9 56553 Benz[a]Anthracene 9 9 9

71432 Benzene 9 9 9 75070 Acetaldehyde 9 9 9 83329 Acenaphthene 9 9 9

85018 Phenanthrene 9 9 9

86737 Fluorene 9 9 9 91203 Naphthalene 9 9 9 7440417 Beryllium 9 9 125 Cadmium & Compounds 9 9 18540299 Chromium (VI) 9 9

16065831 Chromium III 9 9 7439965 Manganese 9 924 Pollutant Code Po llutant Aircraft CMV Locomotive
7440020 Nickel 9 9

40 16-PAH 9

75 7-PAH 9

7782492 Selenium 9



### 2.5 Other (“oth”) sectors: Canada, Mexico and Offshore The only HAP emissions available from the Cana dian, Mexican and offshore inventories were Canadian point and nonpoint mercury. These emi ssions were from the year 2000 and were used for the Clean Air Mercury Rule (CAMR) (EPA, 2005b). Because we did not want to rerun the CAP emissions from othpt, othar and othon genera ted for the CAP-only platform, we chose to create two separate sectors for the Hg emi ssions: othar_hg, which c ontains only Canadian nonpoint mercury, and othpt_hg, which cont ains only Canadian point mercury.

Note that we could have used the PM estimates fro m the “othar”, “othon” to generate diesel PM , but we did not do this.



### 2.6 SMOKE-ready non-anthropogenic inventories for mercury and chlorine This section discusses how we genera ted elemental mercury from natural (N ), recycled (R ) and volcanic (V ) emissions, which we added to anthropogenic (A ) elemental mercury processed from the inventories discussed above, to provi de the elemental mercury species “HGNRVA ” required by CMAQ,. This model species is intended to in clude the sum of elemental mercury emissions from these sources. This section also describes the generation of the ocean chlorine. Both the HGNRVA and ocean chlorine inventories had been developed for previous applications of CMAQ with mercury (for 2001 and for a 36 km grid ), and their origins ar e discussed in more detail in other references (Bullock and Brehme, 2002; Seigneur et. al, 2004, and Seigneur et. al, 2001)

. We updated these to 2002 and prepared the data for the 12 km grid; the sections below discuss these updates. They are developed as gridded, hourly inventorie s similar to the outputs from SMOKE for one sector. Thus, these da ta are not run through SMOKE but rather are merged with the sector-specific SMOKE output s to create the final CMAQ-ready emissions.


### 2.6.1 Mercury The non-anthropogenic portion of elemental merc ury (HGNRV) for 2002 was developed using similar data sources and approaches as were used for the 2001 modeling comparison study with Atmospheric and Environmental Re search, Incorporated (AER), Je rry Lin of Lamar University and EPA. Estimates for natural, recycled a nd volcanic mercury for 2001 were developed with coordination and data from Christia n Seigneur and Jerry Lin for 2001 ( Seigneur et. al, 2004 and Seigneur et. al, 2001) . The initial data for natural mercur y, provided by AER, consisted of three existing global inventories cont aining annual flux rates of el emental mercury, gridded to 1 degree by 1 degree resolution:

• mercury emissions from oceans

• mercury emissions from land25 • mercury emissions from volcanoes

Annual fluxes of recycled elemental mercury fo r 2001 were created using the deposition results from a CMAQ4.5.1 run. The approaches assumed that all recycled mercury emissions are in the form of elemental mercury gas. It is necessary to treat these recycled emissions whenever a version of CMAQ is used that also treats dry de position of elemental mercury gas. The total deposition (wet plus dry) of all forms of mercur y was used as the basis for the recycled emission estimates. A fraction of one-half the total depos ition flux was used as the estimate for recycled emissions based on previous model calibrations done by AER. This fraction is subject to future adjustment as the processes controlling the recycling of mercury are better understood.

Natural and recycled emissions from oceans and land (but not volcanic emissions) were allocated to hourly values based on the meteorological vari ables of solar radiation and temperature, which are shown to be positively correla ted with the evasion of elementa l mercury from water surfaces soils and vegetation. While the correlation is wide ly variable for each substrate, simple scaling functions for land and ocean developed for th e 2001 applications were used for the 2002 Platform:

Ocean: 

# ∑

− ∗ − ∗

allhrs hr hr SFCTMP SOLRAD SFCTMP SOLRAD )] 273 ( [ ) 273 ( or exactly zero for SFCTMP < 273 K

Land: 

# ∑

− ∗ − ∗

allhrs hr hr SFCTMP SOLRAD SFCTMP SOLRAD )] 253 ( [ ) 253 ( or exactly zero for SFCTMP < 253K

where SOLRAD is the solar radiation in W/m^2 and SFCTMP is the skin temperature (degrees Kelvin), both from the 2-dimensional mete orology file from the Meteorology Chemistry Interface Processor (MCIP) output.

EPA performed the following steps to cr eate the 36 km gridded HGNRVA emissions:

1. Regridded the annual natural Hg inve ntory for 2001 provided by AER, from latitude/longitude coordinate system at a 1 degree by 1 degree resolution to the 36 km grid for use in the 2002 Modeling Platform and convert from Megagrams to moles. These natural Hg emissions were provided by AE R as three separate files: (1) direct land emissions, (2) direct ocean emissions, and (3) volcano emissions. 2. Created 2001 annual recycled elemental Hg in Mg/yr by assuming the recycled emissions are half of the deposited mercur y (sum of wet and dry deposition) from a 2001 run of CMAQ4.5.1. The annual sum of wet and dry deposition for the 36 km grid across all mercury species: HG, HGIIGAS, APHGI+J were create d by post processing the output of the CMAQ 4.5.1 run done for 2001 to sum to the annual level and to create emissions from deposition fluxes. The gridded deposition values were multiplied by 0.5; land and water recycled mercury were tracked separately based on the grid cell location (l and versus ocean) resulting in a separate annual gridded estimate for land-recycled elemental mercury and ocean-recycled mercury. 3. Computed the 2002 meteorological-based scalin g factors used to temporally allocate the gridded annual natural and recycled Hg into hourly emissions files. Gridded,26 hourly values of skin temperature and so lar radiation were extracted from the 2002 MET data 2-dimensional file from the MCIP data. 4. Created hourly gridded files of natural and recycled mercury (but not volcano mercury) by scaling the 2001 annual gridded emissions using the meteorological-based scaling factors computed in Step 3. Separate files are created for each day of 2002 plus a 10 day ramp-up period. Each of the 10 ramp-up days included the same emissions as January 1, 2002. 5. Created hourly gridded volcano emissions from the annual gr idded volcano file. The hourly gridded volcano emissions were genera ted as a single (representative) day by treating every hour as unifor m in the year. The following equation was used to generate hourly volcano emissions, in moles/s from annual volcano emissions, in Mg/yr:

⎟ ⎠ ⎞ ⎜ ⎝ ⎛

× ⎟ ⎟ ⎠ ⎞ ⎜ ⎜ ⎝ ⎛

× ⎟ ⎟ ⎠ ⎞ ⎜ ⎜ ⎝ ⎛

× ⎟ ⎠ ⎞ ⎜ ⎝ ⎛ ⎟ ⎟ ⎠ ⎞ ⎜ ⎜ ⎝ ⎛

× ⎟ ⎟ ⎠ ⎞ ⎜ ⎜ ⎝ ⎛

= ⎟ ⎠ ⎞ ⎜ ⎝ ⎛ −

hr s day hr

yr day
mole

g Mg g x

yr Mg yr Hg

s moles hrly Hg
3600 24 365 59

. 200 10 1

_ _ 6

For 12 km modeling in the east, we divided the 36 km annual emissi ons of natural, recycled and volcano mercury equally into the component 12 km grid cells and subsetted the domain to the small East. We computed 12 km-resolved 2002 me teorological-based scaling factors used to temporally allocate the 12 km gridded annual natural and recycled Hg into hourly emissions files, and applied them to crea te hourly, gridded natural and r ecycled emissions for the 3 rampup days (ramp-up days all used January 1, 2002 emissions) and each day in 2002.



### 2.6.2 Chlorine

The oceanic chlorine gas emission estimates were the same as those used in previous Hg modeling, based on the build-up of molecular chlorine (Cl 2 ) concentrations in oceanic air masses ( Bullock and Brehme, 2002) . Data at 36 km and 12 km resolu tion were available and were not modified other than the name “CHLORINE” was changed to “CL2 ” because that is the name required by the CMAQ MP model. 

## 3 Emissions modeling summary
As described in Volume I, processing of the emissions data involved the steps of temporal allocation, spatial allocation, pollutant speciation , and vertical allocation of point sources. The main differences in these steps between the CA P-only versus the CAP+HA P platforms are listed below.

1. We used different data for pollutant specia tion. We modified th e speciation profiles as follows:

• We added profiles to create the HAP m odel species supported by the CMAQ MP model using the HAPs in the inventory. For example, we added a profile to map benzene emissions to the model species BENZENE.27 • We modified VOC profiles to prevent double counting emissions for the HAP model species that are also CAP-only model spec ies. These model species are: FORM (formaldehyde), ALD2 (acetaldehyde), and MEOH (methanol). We developed the modified VOC profiles by removing formalde hyde, acetaldehyde and methanol from the speciation profile in the SPE CIATE database, and running th e Speciation Tool (Jimenez et al., 2007). For these modi fied profiles, the sum of th e species does not add to 1.

• We integrated the HAP VOC into the VOC speciation profiles for sources for which the HAP VOC and VOC were determined to be consistent and allow for use of the “integrate” case. We created a SMOKE ancillary file “NHAPEXCLUDE” for each sector, which controlled which sources in that sector would use the modified profiles.
2. We used a small East 12 km domain, a nd no Western 12 km domain; we modified the emissions for the 12 km domain (both HAP and CAP) for seven counties in the Detroit area to support the Detroit Pilot study (see XXX). 3. We applied monthly speciation to Califor nia-submitted annual nonroad sector sources in SMOKE rather than creating a monthly invent ory prior to input into SMOKE (see Section 2.4.2). 4. We processed two additional sectors: othpt_hg and othar_hg, which contain only speciated mercury emissions.

All SMOKE inputs and scripts for the 2002 CAP+HAP Platform emissions are available at the Clearinghouse for Inventories and Emissi ons Factors (CHIEF) Emissions Modeling Clearinghouse (EMCH) website, http://www.epa.gov/ttn/chief/emch/index.html#2002 , under the heading, “CAP and HAP 2002-Base d Platform, Version 3.”



### 3.1 The SMOKE modeling system We used SMOKE to process the raw emissions to create the emissions inputs for the CMAQ Multi-pollutant Model. The SMOKE version 2.4 source code and executables can be used to reproduce our emissions modeling, and these ar e available from the Community Multiscale Analysis System (CMAS) Center at http://www.cmascenter.org . The scripts used for running SMOKE are available on the CHIEF website provided above.

In addition to the updates to SMOKE that we li sted in Volume II, a few SMOKE updates were made specifically to support the HAP processing a nd were not listed in Volume 1. As indicated in Volume 1, although the rel ease of SMOKE version 2.4 happ ened after we completed our modeling, SMOKE version 2.4 provides essentia lly the same version of SMOKE used for the 2002-based modeling platform.

These additional SMOKE updates for HAPs are:

• Support of longer pollutant codes (up to 16) in the day-specific point-source inventory files (PTDAY)

• Support the creation of mode-specific NONHAPVOC (e.g., EXH__NONHAPVOC and EVP__NONHAPVOC) by subtracting mode-s pecific HAP from mode-specific VOC.

• New reporting capabilities in Smkreport for HAPs28 The release notes for SMOKE Versions 2.3 a nd 2.4 document these upd ates; the notes are available with the SMOKE documentation at http://www.smoke-model.org

.
One particular SMOKE change that was investig ated but not implemented was the ability for SMOKE to compute NONHAPVOC for day-specific in ventory inputs such as in the ptfire and ptipm sectors.



### 3.2 Key emissions modeling settings The key emissions modeling setting were describe d in Volume II, Section 3.2 for the CAP-only platform. The additional key emissions mode ling setting for CAP+HAP processing is each sector’s approach for SMOKE to integrate the HAP VOCs with CAP VOC for some or all sources within that sector. The name of the SMOKE setting for this is called ‘NHAPEXCLUDE’ which is also the logical name of the file containing specific sources within a sector that will not be integrated (discussed more Section 3.3.2). Section 3.2.3 describes the approach we used for each sector to integrate CAP VOC with HAP VOC, and Table 4-5 in Section 4 summarizes the amount of HAP VOCs and VOC inte grated for each sector.

Table 3-1 summarizes the major processing step s of each platform sector in the CAP+HAP platform and indicates any changes from the CA P-only approach (described in Table 3-1 in Volume I). As described in Volume I, the “Spatial” column shows the spatial approach: “point” indicates that SMOKE maps the source from a point location to a grid cell, “surrogates” indicates that some or all of the sources use spatial surrogates to allocate county emissions to grid cells, and “area-to-point” indicates that some of the sources use the SMOKE area-to-point feature to grid the emissions. The “Speciation” column indicates that all sectors use the SMOKE speciation step, though biogenics speciation is done within BEIS3 and not as a separate SMOKE step. The “Inventory resolution” column shows the inventory temporal resolution from which SMOKE needs to calculate hourly emissions. The “plume rise” column indicates the sectors for which SMOKE computes vertical plume rise and creates merged emissions that are 3- dimensional instead of one layer. The ‘CAP/HAP VOC Integration’ column indicates the sectors for which SMOKE integrates the VOC and the HAP VOC for some or all sources.

Table 3-1. Key emissions modeling steps for the CAP+HAP Platform by sector

Platform

sector Spatial Speciation Inventory resolution Plume rise CAP/HAP VOC Integration 1

ptipm point Yes daily & hourly Yes

ptnonipm point Yes annual Yes Some othpt point Yes annual Yes

nonroad surrogates & area-to-point Yes Monthly and annual 2 All except in California othar surrogates Yes annual

alm surrogates & area-to-point Yes annual Some

onroad surrogates Yes monthly All except in29 Platform

sector Spatial Speciation Inventory resolution Plume rise CAP/HAP VOC Integration 1

California othon surrogates Yes annual

nonpt surrogates & area-to-point Yes annual Some

ag surrogates Yes annual (no VOC) afdust surrogates Yes annual (no VOC)
biog pre-gridded landuse in BEIS hourly
ptfire point Yes daily Yes nonptfire surrogates Yes annual Some avefire 3 N/A N/A N/A othpt_hg 4 point Yes annual Yes othar_hg 4 surrogates Yes annual Changes from CAP-only: 1. No CAP/HAP VOC integration was done for the CAP-only platform 2. HAP nonroad inventory was annual, CAP was monthly 3. avefire not used in CAP+HAP platform 4. sectors not used in CAP-only platform



### 3.2.1 Spatial configuration For the 2002 CAP+HAP Platform, we ran SMOKE and CMAQ for a modeling domain with 36 km and a modeling domain with 12 km spatial re solution. The 12 km domain for the CAP+HAP Platform is different than the CAP-only Platform in that (1) it didn’t cover the west, and (2) the Eastern 12 km domain is smaller; it does not go as far west as the CAP-only Platform. Figure 3-1 shows the 36 km CON tinental U nited S tates “CONUS” modeling domain, and the 12 km small eastern domain.30 Figure 3-1. CMAQ modeling domain for the CAP+HAP runs.

As with the CAP-only runs, these grids use a La mbert-Conformal projection, with Alpha = 33, Beta = 45 and Gamma = -97, with a center of X = -97 and Y = 40. Table 3-2 describes the grids for the two domains. The projection name is ‘LAM_40N97W'. 36km Domain Boundary

Small 12km East Domain Boundary31 Table 3-2. Descriptions of the Grids for the 2002 CAP+HAP Platform

Common Name Grid Cell Size Description (see Figure 3-1) Grid name Parameters listed in SMOKE grid description (GRIDDESC) file: projection name, xorig, yorig, xcell, ycell, ncols, nrows, nthik

US 36 km or CONUS-36 36 km Entire conterminous US plus some of Mexico/Canada US36KM_148X112 ‘LAM_40N97W', -2736.D3, -2088.D3, 36.D3, 36.D3, 148, 112, 1

Small East 12 km 12 km Same as Big east on all sides except only goes west to Texas (cuts the Dakotas in half) EUS12_216X240 ‘LAM_40N97W ', -252.D3, -1620.D3, 12.D3, 12.D3, 216, 240, 1

NOTES: .D# equals *10^#. Thus -97.D0 is -97*10^0 = -97



### 3.2.2 Chemical speciation configuration The chemical speciation configuration was de signed for the CMAQ MP model, for which the CB05 standard chemical mechanism used for simula tions of criteria pollutants was modified to also produce concentrations of certain HAPs along with ozone and PM. The modifications were made to account for the additional production and decay of HAPs, while retaining the chemistry and radical cycling of the original mechanism. HAPs are included in the mechanism as either 1) “explicit CB05 HAPs” (also called “active toxics”) where their concentrations are solved at each internal time step (time scale of minutes) and their decay affects the concentrations of other species, or 2.) “tracer toxics” where their con centrations are only updated at every output time step (time scale of one hour or more). The si gnificance between tracer an d active toxics is the influence of the active toxics on the chemical mechanism calculations within CMAQ, especially radical levels.

Table 3-3 shows the CB05 model species; active toxics in that table are FORM, ALD2 and MEOH. Note that although FORM is consider ed explicit formaldehyde, there are several nonformaldehyde compounds mapped to FORM in the SMOKE speciation profiles, due to the fast rate of decay. A similar relationship exists between ALD2 and HAP inventory emissions of acetaldehyde and between MEOH and HAP in ventory emissions of methanol. Table 3-4 presents the HAP model species added to the CM AQ MP model; all are tracer toxics other than CL2 and HCL.

The approach for PM2.5 emissions is the same as in the CAP-only platform. The only difference is that in addition to creating the PM2.5 species we also create diesel PM2.5 species and diesel PMC. The diesel PM species are a subset of th e PM species; in particular, they represent PM species only from dies el mobile engines.32 Table 3-3. Model Species produced by SMOKE for CB05, 2002 CAP-only and CAP+HAP Platform
Inventory Pollutant Model Species Model species description

CO CO Carbon monoxide NO Nitrogen oxide NOX NO2 Nitrogen dioxide SO2 Sulfur dioxide SO2 SULF Sulfuric acid vapor NH3 NH3 Ammonia ALD2 * Acetaldehyde ALDX Propionaldehyde and higher aldehydes ETH Ethene ETHA Ethane ETOH Ethanol FORM * Formaldehyde IOLE Internal olef in carbon bond (R-C=C-R) ISOP Isoprene MEOH * Methanol OLE Terminal olefin carbon bond (R-C=C) PAR Paraffin carbon bond TOL Toluene and other monoalkyl aromatics VOC and various HAP VOC*

XYL Xylene and other polyalkyl aromatics Various additional VOC species from the biogenics model which do not map to the above model species TERP Terpenes

PM10 PMC Coarse PM > 2.5 microns and ≤ 10 microns PEC Particulate elemental carbon ≤ 2.5 microns PNO3 Particulate nitrate ≤ 2.5 microns POC Particulate organic carbon (carbon only) ≤ 2.5 microns PSO4 Particulate Sulfate ≤ 2.5 microns PM2.5

PMFINE Other particulate matter ≤ 2.5 microns
* Active toxic because it is an explict CB05 HAP33 Table 3-4. HAP model species added to CB05 model species for the CMAQ MP Model
Inventory Pollutant (name used by SMOKE inventory Table) HAP Model Species in MP model Model species description

BENZENE BENZENE Benzene BUTADIE BUTADIENE13 1,3 Butadiene CARBONTET CARBONTET Carbon tetrachloride CHCL3 CHCL3 Chloroform CL2_C2_12 CL2_C2_12 Ethylene dichlo ride (1,2-Dichloroethane) CL3_ETHE CL3_ETHE Trichloroethylene DICHLRBNZN DICHLOROBEN ZENE p-dichlorobenzene DICLPRO13 DICHLOROPROPEN E 1,3-Dichloropropene ETHDIBROM BR2_C2_12 Ethylene dibromide (Dibromoethane) ETOX ETOX Ethylene oxide HCL HCL Hydrochloric acid HEXAMTHLE HEXAMETHY_DIIS Hexamethylene diisocyanate HGSUM and HG HGNRVA Elemental Gaseous Mercury

HGSUM and HGIIGAS HGIIGAS Divalent Gaseous Mercury

HGSUM and PHGI PHGI Divalent Particulate Mercury

HYDRAZINE HYDRAZINE Hydrazine MALANHYD MAL_ANHYDRIDE Maleic anhydride MECL CL2_ME Methylene chloride (Dichloromethane) XYLS and MXYL MXYL M-xylene

XYLS and OXYL OXYL O-xylene

XYLS and PXYL PXYL P-xylene

NAPHTH NAPHTHALENE Naphthalene ACRYNITRL ACRYLONITR ILE Acrylonitrile ACROLEI ACROLEIN Acrolein CHROM CHROMHEX CHROMHEX_F Hexavalent Chromium, fine particulate

CHROM CHROMHEX CHROMHEX_C Hexavalent Chro mium, coarse particulate

CHROM CHROMTRI CHROMTRI_F Trivalent Chro mium, fine particulate

CHROM CHROMTRI CHROMTRI_C Trivalent Chromium, coarse particulate

CHLORINE CL2 Chlorine34 Inventory Pollutant (name used by SMOKE inventory Table) HAP Model Species in MP model Model species description

PROPDICLR PROPDICH LORIDE Propylene dichloride (1,2-Dichloropropane) TOL_DIIS TOL_DIIS 2,4-Toluene diisocyanate TOLUENE TOLU Toluene TRIETHLAMN TRIETHYLAMINE Triethylamine TTCLE1122 CL4_ETHANE1122 1,1,2,2-Tetrachloroethane VINYCHLRI CL_ETHE Vinyl Chloride MANGANESE MANGANESE_C Manga nese, coarse particulate MANGANESE MANGANESE_F Manga nese, fine particulate NICKEL NICKEL_C Nickel, coarse particulate NICKEL NICKEL_F Nickel, fine particulate CADMIUM CADMIUM_C Cadmium, coarse particulate CADMIUM CADMIUM_F Cadmium, fine particulate BERYLLIUM BERYLLIUM_C Beryllium, coarse particulate BERYLLIUM BERYLLIUM_F Beryllium, fine particulate LEAD LEAD_C Lead, coarse particulate LEAD LEAD_F Lead, fine particulate DIESEL_PNO3 Primary nitrate from Diesel Mobile engines DIESEL_PMFINE Primary Other Particulate, from Diesel Mobile engines DIESEL_PSO4 Primary Sulfat e, from Diesel Mobile engines DIESEL_POC Primary Organic Carbon, from Diesel Mobile engines PM2.5

DIESEL_PEC Primary Elemental Carbon, from Diesel Mobile engines PM10 PM2.5 DIESEL_PMC Coarse Particulate, Primary Organic Carbon, from Diesel Mobile engines



### 3.2.3 The Approach to Combine HAP and CAP Inventories The first part of this sect ion discusses the options avai lable for combing HAP and CAP inventories for use with the CMAQ MP model, and describes how SMOKE implements the “integrate” case and “no-integrate” case options. The second part of this section discusses the options we chose for combining the i nventories for the CAP+HAP platform.

3.2.3.1 Options Available There are many options to combine HAP VOC and CAP VOC without double counting emissions. Table 3-5 shows these options for the different types of VOC HAP. Table 3-5. Options for Combining HAP VOC wi th CAP VOC for different types of HAP VOC35 Type of HAP VOC: Description Options

Non CMAQ HAP HAP is not a model species in the CMAQ MP model, and is not explicitly represented by a CB05-SOA class. Examples: 2,2,4 trimethylpentane, hexane, styrene, MTBE. Because we do not model these in CMAQ as explicit species, the emissions of these species from the HAP inventory would not be used at all if we don’t integrate them with CAP VOCs. (1) Use HAP inventory to adjust CAP VOC speciation profiles, “integrate case” (2) Don’t integrate (i.e., don’t use HAP EI emissions), “no-integrate case” To the extent that sources emit these species we assume that these emissions are adequately captured in the CAP VOC speciation profiles.

CMAQ Tracer HAP HAP is a CMAQ MP model species, but it is not an explicit CB05-SOA class. Examples: butadiene, acrolein. (1) Use HAP inventory for tracer species, and to adjust CAP VOC speciation profiles, “integrate case” (2) Use HAP inventory for tracer species, but obtain emissions for allocation to CB05 classes from CAP VOC speciation profiles with no integration, “no-integrate case.” (3) Obtain emissions for HAP tracer species and for allocation to CB05-SOA classes from CAP VOC speciation profiles (i.e., don’t use HAP EI emissions). Active toxic (Explicit CB05 HAP) The HAP is a CMAP MP species which is also a CB05 class. These HAPs are: formaldehyde, acetaldehyde, and methanol. (1) Obtain emissions from HAP inventory with integration, “integrate case” (2) Obtain emissions from HAP inventory but without integration - - which would result in a change in the mass of CAP VOC emissions, “no-integrate case.” (3) Obtain emissions from CAP VOC speciation profiles (i.e., don’t use HAP EI emissions)

For the “integrate” case, the VOC provides the non-HAP part of the mass; the HAP inventory provides the HAP-part of the VOC mass, and the total VOC mass is conserved (neither increased nor decreased). The HAPs and non-HAP part of the VOC are mapped to the appropriate model species in the chemical mechanism. Use of th e “integrate” case assumes that the HAPs may be generated with a more detailed methodology than is done using the traditional speciation of VOC and therefore can provide more accurate model species estimates. We have some evidence this is true for some parts of the 2002 NEI. For example, onroad benzene estimated with MOBILE6.2 may be more accurate than specia tion of VOC from MOBILE6 because of the complex relationships between fuels and engine parameters included in this model for this pollutant. Specifically, this comp lex relationship cannot be capture d through a speci ation profile applied to a mobile source categor y code and emission process.

For the “no-integrate” case, the CAP VOC is speci ated to provide only those model species that are not Explict CB05 HAPs (i.e., that are not activ e toxics). Thus, the HAP inventory provides36 the mass of Explicit CB05 HAPs and tracer HAPs, but does not influence any other CB05 class. Because we do use the HAP inventory for all HAP model species, we might have named this case the “partial-integrate” case. However, we have used the word “no-integrate” to be consistent with the current set of SMOKE docum entation pertaining to this method of combining HAP and CAP inventories. This ca se is needed when it is impractical or invalid to integrate the inventories, and the user prefer s to use HAP emissions than conserve VOC mass for the sources that cannot be integrated.

Figure 3-2 shows a schematic of the “integrat e” and “no-integrate” cases and reflects how SMOKE implements them.

Figure 3-2 Combining HAP and CAP Inventories

.
For the “integrate” case, we compute emi ssions for a new pollutant: NONHAPVOC, which contains that portion of the VOC that are not toxics VOC; the computation is done on a sourceby-source basis. When using SMOKE, the user iden tifies the particular toxics VOC to subtract in the Inventory Table (INVTABLE). SMOKE input file; these toxics must be consistent across a single SMOKE run.

SMOKE can use both the “integrate” and “no-integr ate” cases within a single run. SMOKE uses the NHAPEXCLUDE file to choose sources that get the “no- integrate” case based on source information by SCC and state/county FIPS code.

3.2.3.2 Approach Used VOC from CAP inventory HAP VOC from inventory

Create NONHAPVOC : = VOC – sum(HAP VOC)

SPECIATION: nonHAPVOC is speciated to model species other than HAP model species

HAPs are mapped to model species

Model species 

### I n t e g r a t e C a s e N o

- I n t e g r a t e C a s e

Keep only active or tracer HAP model species HAP VOC from inventory CAP VOC from inventory

Model Species

SPECIATION: VOC is speciated to model species other than HAP model species (profile sum can be < 1)

HAPs are mapped to only HAP model species (active or tracer) User provides adjusted VOC profiles that remove active HAPs (profile sum can be < 1) User provides speciation profiles for nonHAPVOC and profiles to map HAP to model species37 The approach we used for the 2002 CAP+HAP Plat form was based on the premise that the HAP inventory is the choice inventory to use for modeling both Explicit CB05 HAPs and tracer HAPs, and that we would not speciate VOC to generate these HAPs, but rather use the HAP inventory. Thus, we never used Option 3 from Table 3-5.

In addition to using the HAP inventory for th e active and tracer HAP model species, we “integrated” the HAP VOCs with the VOC from the CAP inventor y for inventory sources that were deemed to have consistent CAP VOC a nd HAP VOCs, based on sp ecific criteria (the criteria are presented in Section 3.4.2.3). The impact of this integration is to adjust the VOC speciation for these sources, which would change the emissions for the CB05 classes derived from VOC from the CAP-only case. For sources that did not meet the criteria, we did not integrate the HAP VOC with the VOC. For these sources, we did not change the VOC speciation for the nonHAP CB05 classes derived from VOC, but we did change emissions for the Explict CB05 HAPs.

Table 3-6 summarizes the use of CMAQ HAPs differences between processing CAP+HAP emissions and CAP-only emissions for each platform sector. For most sectors, differences exist due to use of the HAP inventory for the HAP mo del species. For sectors with the most significant VOC emissions (onroad, nonroad and nonpt), however, we also used the “integrate” case for sources meeting the CAP VOC a nd HAP VOC consistency criteria.

Table 3-6. Use of HAP VOCs in the 2002 CAP+HAP Platform

Platform sector Use of HAP inventory

ptipm • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH (Explict CB05 HAP)

• Use HAP inventory for HAP tracer species

• No-integrate case

ptnonipm • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH (Explict CB05 HAP)

• Use HAP inventory for HAP tracer species

• Change VOC speciation for sources meeting the criteria for integrating HAP VOCs with CAP VOC

ptfire • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH (Explict CB05 HAP)

• Use HAP inventory for HAP tracer species

• No-integrate case

nonptfire • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH

• Use HAP inventory for HAP tracer species

• Change VOC speciation for sources meeting the criteria for integrating the HAP VOCs with th e VOC; these sources are only in Texas

ag No HAP in sector – use model ready emissions from CAP-only Platform afdust No HAP in sector – use model ready emissions from CAP-only38 Platform

nonpt • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH

• Use HAP inventory for HAP tracer species

• Change VOC speciation for sources meeting the criteria for integrating the HAP VOCs with the VOC

nonroad • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH (Explict CB05 HAP)

• Use HAP inventory for HAP tracer species

• Change VOC speciation for sources meeting the criteria for integrating HAP VOCs with CAP VOC (all sources except those in California)

alm • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH (Explict CB05 HAP)Use HAP inventory for HAP tracer species

• Change VOC speciation for sources meeting the criteria for integrating the HAP VOCs with the VOC

onroad • Use formaldehyde, acetaldehyde and methanol from HAP inventory for FORM, ALD2 and MEOH (Explict CB05 HAP)

• Use HAP inventory for HAP tracer species

• Change VOC speciation for sources meeting the criteria for integrating HAP VOCs with CAP VOC (all sources except those in California)
biog No HAP in sector – use model ready emissions from CAP-only Platform
othpt No HAP in sector – use model ready emissions from CAP-only Platform

othar No HAP in sector – use model ready emissions from CAP-only Platform

othon No HAP in sector – use model ready emissions from CAP-only Platform



### 3.2.4 Temporal proc essing configuration Table 3-7 summarizes the temporal aspect of the emissions processing configuration for the additional sectors used in the CAP+HAP Platform and the nonroad inventory. All other sectors use the same configuration as the CAP-only platform.39 Table 3-7. Temporal Settings Used for the Platform Sectors in SMOKE

Platform

sector Inventory resolution Monthly profiles

used? Daily temporal approach 1,2 Merge processing approach 1,3 Process Holidays as separate days?

nonroad monthly & annual mwdss mwdss yes

othar_hg annual yes mwdss mwdss no othpt_hg annual yes mwdss mwdss no

1 Definitions for processing resolution: all = hourly emissions computed for every day of the year, inventory is already daily. week = hourly emissions computed for all days in one week for each month, which means emissions have day-of-week variation, but not week-to-week variation within the month. mwdss= hourly emissions for one Monday, weekday, Saturday for Sunday for each month, which means emissions have variation between Mondays, other weekdays, Saturdays and Sundays within the month, but not week-to-week variation within the month. Also Tuesdays, Wednesdays and Thursdays, and Fridays are treated the same. aveday = hourly emissions computed for one day of each month, which means emissions for all days of each month are the same.

2 Daily temporal approach refers to the temporal approach for getting daily emissions from the inventory using the Temporal program. The values given are the T_TYPE setting in SMOKE.

3 Merge processing approach refers to the days used to represent other days in the month for the merge step. If not “all”, then the SMOKE merge step just runs for representative days, which could include holidays as indicated by the rightmost column. The values given are the M_TYPE setting in SMOKE.



### 3.3 Emissions modeling ancillary data differences from CAP-only In this section, we summarize changes to the an cillary data that SMOKE used to perform spatial allocation, chemical speciation, and temporal allocation for the 2002 MP Platform. The ancillary data for the CAP+HAP Platform are available at http://www.epa.gov/ttn/chief/emch/index.html#2002 , under the links “CAP and HAP 2002- Based Platform, Version 3,” and “Data File s” (see “ancillary_smoke” directory).


### 3.3.1 Spatial allocation ancillary files The spatial data files for the 2002 CAP+HAP Platform are the same as those used for the 2002 CAP-only platform (see Section 3.3.1 of Volu me 1), with one exception described below.

The one different spatial alloca tion ancillary file is the area -to-point (ARTOPNT) file. We modified this file only for use with the 12 km grid (the small East). The modification was to allow certain airports in the De troit area to be assigned to multiple latitude and longitudes, and thus allocated to multiple grid ce lls, rather than a single latitude longitude per airport as had been done with the CAP-only Platform (and 36 km grids for both CAP+HAP and CAP-only Platforms). This was desirable for the fine r scale modeling, which utilized 1 km spatial resolution for the gridded emissions. The larger ai rports are far greater th an 1 km by 1 km, so it was more realistic to spread the emissions over th e various grid cells containing the airport than to choose a single 1 km by 1 km grid cell to assi gn to all of the airpor t-related emissions.40 We used aerial photographs overlayed with 1 km grid cells to dete rmine the particular geographic coordinates and alloca tion factors to disaggregate each airport’s emissions. Different allocation factors were assigned to different ai rport-related sources such as airport ground support equipment, aircraft emissions, and refueling emissions based on the amount of terminals or runways in each 1 km by 1 km grid cell (b ased on visual inspection of the photographs).

We noticed that this change caused a difference in the spatial allocation of emissions related to airports at 12 km resolution; the emissions for the Detroit International Airport (DTW)were allocated to two adjacent 12 km grid cells. Figure 3-1 shows the distin ct points we used to allocate DTW emissions, and how they fall into two adjacent 12 km grid cells.

Figure 3-3. The Multiple Geographic Coordi nates Assigned to Detroit International Airport in the Updated ARTOPNT SMOKE Ancillary File

All airports that were furthe r disaggregated are listed in Table 3-8.41 Table 3-8. List of Airports Modified in ARTOPNT

Airport Abbreviation County Number of latitude / longitude coordinates 7D2 Oakland 2 DET Wayne 3 DTW Wayne 16 MTC Macomb 8 ONZ Wayne 2 PTK Oakland 2 YIP Wayne 5



### 3.3.2 Chemical speciation ancillary files The inventory table, speciation cross reference, VOC -to-TOG conversion factors and speciation profiles are used for chemical speciation

. These data are different from the CAP-only case, in that they contain data to produce the additional HAP model species shown in Table 3-4, and they also enable the combination of the HAP and CA P inventory pollutants via the integrate and nointegrate cases described in Section 3.2.3.



### 3.3.2.1 Chemical Speciation Pr ofile Files (GSPRO)

Profiles for Speciation to CB05 classes For VOC speciation, we generated SMOKE -ready “integrate” case NONHAPTOG-to-model species and “no-integrate” case TOG-to-model species profiles for the CB05 chemical mechanism using the Speciation Tool (Eyth, 2006 and Jimenez, 2007). We combined these profiles together since “integrat e” and “no-integrate” sources coul d be present in a sector and would be processed by the same SMOKE run (as opposed to separate SMOKE runs for integrate vs. no-integrate sources). The speciation profiles for the integr ate case include profiles that:

1. map the HAP VOC inventory pollutants to nonHAP CB05 classes (e.g., benzene maps to PAR and UNR),

2. map NONHAPTOG to nonHAP model species 4 (e.g., NONHAPTOG maps to OLE, UNR, TOL, XYL, etc.), and

3. map HAP inventory pollutan ts to HAP model species 5 (e.g., benzene maps to BENZENE).

The speciation profiles for th e no-integrate case include:

1. profiles that map formaldehyde, acetalde hyde and methanol to FORM, ALD2 and MEOH, respectively.

4 Because some non-formaldehyde compounds map to FORM (same for ALD2 and MEOH), NONHAPTOG also maps to HAP CB05 classes.
5 Discussed more in the subsection below.42 2. modified profiles (non-normalized) from which formaldehyde, acetaldehyde and methanol have been removed, and

3. profiles that map HAP inventory pollutants to HAP model species (e.g., BENZENE_NOI maps to BENZENE).

To allow no-integrate and integrate cases to be done within the same SMOKE run and using the same GSPRO file, we developed profiles that map the VOC HAPs to themselves using an “_NOI” appended to the name. Sample GSPRO r ecords that show how HAPs are mapped to model species for the integrate and no -integrate cases are provided in Table 3-9. Note that the “NOI” is not needed for acetaldehyde, formal dehyde or methanol because these HAPs are mapped only to the CB05 HAP model species, a nd no other CB05 species; therefore, for these HAPs the integrate and no-integrate case us e the same HAP-to-model species mapping.43Table 3-9. Example profiles for HAPsfor integrate and no-integrate casesGSPRO RecordCode NEI Pollutant ModelSplit Divisor MassSpecies Factor FactorType ofModelSpeciesCASE Explanation0000 BENZENE_NOIBENZENE 1.0000 78.11181.0000 HAP Tracer No-integrate No-integrate case, SMOKErenames benzene from ano-integrate source to add“_NOI” and maps to HAPmodel species benzene0000 BENZENE BENZENE1.0000 78.11181.0000 HAP Tracer Integrate integrate case, SMOKEmaps HAP to HAP modelspecies benzene0000 BENZENE PAR 0.1667 13.0186 0.1667CB05 – non HAP Integrate integrate case, SMOKEmaps HAP to CB05 nonHAP model species0000 BENZENE UNR 0.8333 13.0186 0.8333CB05 – non HAPIntegrate integrate case, SMOKEmaps HAP to CB05 nonHAP model species0000 ACETALD ALD2 1 44.0526 1 Explicit CB05HAPIntegrate or Nointegrate (same recordis used for both)SMOKE maps HAP toCB05 HAP model species44 Within the “header” of the GSPRO, the records containing the key words “#NHAP NONHAPVOC” and provide the spec ific HAP inventory species that were removed from the TOG profiles to create normalized NONHAPTOG prof iles. We developed this list using version 1 of the 2002 NEI, using the following criteria for eligibility to be an “integrate” HAP.

1) all HAP VOC from NMIM were eligible; 2) any HAP VOC for which at least 25 states include this HAP in at least 50% of the counties in their nonpoint inventory; 3) For cresols and xylenes, all isomers a nd the “mixed” isomer compound group were chosen as eligible, since these compounds are sometimes reported in their individual isomer form and other times reported in the “mixed” groups; 4) All HAP VOC which were not able to be mappe d to CB05 species were not eligible (e.g., compounds such as “7-PAH” or “14-PAH.”

We used the same set of eligible VOC HAPS for each platform sector.

We also generated a “forced” no-integrate set of VOC profiles (included in a separate file) for which formaldehyde, acetaldehyde and methanol are removed, but where the mapping of VOC HAPS to themselves does not include “NOI”. Th ese “forced” no-integrate profiles were used for sectors utilizing day-specific emissions where th e “integration” was not possible in SMOKE as discussed in Section 3.1. In these profiles, th e HAPs are mapped to HAP model species without the “_NOI” appendage, and the VOC profile s are generated by removing acetaldehyde, formaldehyde and methanol.

Profiles for PM Speciation PM 2.5 speciation profiles to generate PEC, POC, PS04, PNO3 did not change from those used in the CAP-only platform.

We added PM 2.5 profiles to generate diesel PM 2.5 species from PM species for mobile diesel engines. We added: (1) D2042, and (2) D2035. These profiles were developed by modifying the PM 2.5 profiles 92042 and 92035 to include the diesel PM 2.5 species (diesel_PEC, diesel_POC, diesel_PSO4 and diesel_PNO3) along with the PM 2.5 species. We also added a PMC profile to generate diesel_PMC from mobile diesel engines.

Profiles for HAP Speciation to HAP Model Species for HAPs other than VOC HAPs Numerous HAPs that are not HAP VOC were used in CMAQ because they are model species. Profiles for these HAPs were developed to eith er map the inventory HAP s directly to model species representing these HAPs (e.g., hydrochloric acid emissions from the HAP inventory are mapped to the model species “HCL”) or speciate the HAPs to model species needed by CMAQ. In some cases, the HAP inventory contained the precise species needed by CMAQ (e.g., HGIIGAS) but in other cases and for all HAP metals, additional speciation was required.

The situations for which inventory HAPs required further speciated were:

1. Unspeciated inventory chromium (“CHROM”), speciated into:

a. hexavalent chromium, coarse mode (“CHROMHEX_C”),45 b. hexavalent chromium, fine mode (“CHROMHEX_F”),

c. trivalent chromium, coarse mode (“CHROMTRI_C”), d. trivalent chromium, fine mode (“CHROMTRI_F”).

2. Unspeciated, inventory mercury (HGSUM), speciated into:

a. Elemental mercury (HGNRVA) b. Divalent gaseous mercury (HGIIGAS)

c. Divalent particulate mercury (PHGI)

3. Unspeciated inventory xylenes, 6 (XYLS) speciated into:

a. M-xylene (MXYL) b. O-xylene (OXYL)

c. P-xylene (PXYL) 4. All metal HAPs, speciated into coarse and fine fractions, as described below.

Profiles for Assigning Metal HAPs to Coarse and Fine Fractions Metal HAPs, such as manganese, nickel, and hexa valent chromium were further speciated into coarse and fine components. We used th e same data and approach as the 1999 and 1996 National Air Toxics Assessment studies (EPA, 2004) . In these studies, the coarse and fine component fractions vary by s ource sectors and pollutant.



### 3.3.2.2 VOC-to-TOG and NONHAPVOC -to-NONHAPTOG Conversion (GSNV) We used the Speciation Tool to generate a SMOKE-ready file (“GSCNV”) containing profilespecific NONHAPVOC-to-NONHAPT OG conversion factors a nd VOC-to-TOG conversion factors based on the “no-integrate”.

The same GSCNV problem identified in the Vo lume 1 (Section 3.3.2) applied to the 2002 CAP+HAP Platform; that is, the file was missing some entries for mode-specific NONHAPVOC, “EVP__NONHAPVOC” and “EXH__NO NHAPVOC.” Because most of the missing entries did not apply to emissions in 2002 or had a conversion factor of 1.0 (the default used if the entry is missing), the impact on the speciated VOC was small.



### 3.3.2.3 NHAPEXCLUDE file Development We generated non-HAP exclusions (NHAPEXCLUDE) files for each sector to provide SMOKE a list of sources that should use the “no-integrate” case.

We generated these files by first creating a list of sources that could not be integrated (or could be integrated) based on a specific se t of criteria for each sector. Table 3-10 provides the criteria.

6 Although this is a HAP VOC, it still needs to be speciated into HAP model species46 Table 3-10. Criteria used to determine the sources for which the “integrate” case applies

Sector (only sectors that have VOC HAP are included) Use of VOC HAP from Sector Criteria needed to be met to integrate sources in this sector ptipm No-integrate case for all

sources No criteria needed: SMOKE cannot currently “integrate” any sectors that use day-specific emissions

ptnonipm Combination ofintegrate and nointegrate • For each unique source 7 , CAP VOC and all HAP VOC must have the same data source code. 8

• The sum across all HAP VOC for the source, must be less than or equal to the VOC.

• The CAP VOC and the sum of all HAP VOC eligible for integration must be greater than zero.

• Within the entire facility, as defined by all sources under a unique NEI_UNIQUE_ID code, if any one source cannot be integrated (because it does not meet the above criteria) then no sources within the NEI_UNIQUE_ID can be integrated. nonpt , alm and nonptfire Combination ofintegrate and nointegrate • The data source code for all HAP VOC and CAP VOC within the same source (FIPS/SCC) must be identical.

• The sum across all HAP VOC for the source, must be less than or equal to the VOC.

• The CAP VOC and the sum of all HAP VOC eligible for integration must be greater than zero. onroad, nonroad Integrate casefor NMIM. Nointegrate for Calif-submitted data Based on discussions with OTAQ, NMIM-generated HAPs could all be used for integration as they are consistent with VOC speciation. Because the California inventory has different HAPs than NMIM and the methods used for HAPs were not known, we chose no-integrate for California onroad/onroad ptfire No-integrate case for all

sources No criteria needed: SMOKE cannot currently “integrate” any sectors that use day specific emissions

7 A unique point source is defined by a unique combination of the following IDs: state/county FIPS code, PLANTID (StateFacilityIdentifier), POINTID (Emission Unit ID), STACKID (Emission Release Point ID), SEGMENT (Process ID),
8 The data source code is a field in th e NEI that indicates the source of the da ta for that particular source/pollutant. The data source codes can be found in the NEI Codes “Lookup” table at http://www.epa.gov/scram001/us erg/other/emshapv3ug.pdf

.47 

### 3.3.3 Temporal allocation ancillary files The only change we made to the temporal allocation ancillary files was to add California-specific equipment activity-based monthl y profiles to allocate the an nual California nonroad HAPs to monthly. These profiles were taken from a technical report s upporting the NONROAD model (EPA, 2005).48 

## 4 Emission Summaries

The emission summaries presented here are also available in Microsoft Excel Format at http://www.epa.gov/ttn/chief/emch/index.html#2002 , under the link “CAP and HAP 2002-Based Platform, Version 3.” Additional detail ed summaries of the CAP VOC and HAP VOC integration are available at that website as well . State sector emission summaries are provided in Appendix C.

Tables 4-1 through 4-3 summari ze the mercury emissions. Table 4-1 presents a summary of speciated state-level mercury emissions, for each U.S. sector containing mercury. The three mercury species are: divalent gaseous merc ury (HGIIGAS), particulate mercury (PHGI) and elemental mercury (HGNRVA). Table 4-2 presents the Canadian speciated mercury emissions. Table 4-3 summarizes the natural and recycled mercury emissions.

Table 4-1. Speciated Anthropogenic Mercury Em issions by US State and by Sector within the 36 km CONUS Domain (i.e., the lower 48).

State

Species of ptipm [tons/yr] ptnonipm [tons/yr] nonpt [tons/yr] onroad [tons/yr] alm [tons/yr] nonroad [tons/yr] ptfire + nonptfire [tons/yr] all US
sectors [tons/yr]

Alabama HGIIGAS 1.096 0.355 0.018 5.72E-04 0.000 3.03E-05 0 1.470
Alabama HGNRVA 1.303 1.967 0.058 6.01E-03 0.000 2.29E-04 0 3.335
Alabama PHGI 0.080 0.267 0.012 3.10E-05 0.000 6.17E-06 0 0.359
Alabama Total HG 2.479 2.589 0.089 6.61E-03 0.000 2.66E-04 0 5.163
Arizona HGIIGAS 0.052 0.016 0.093 5.31E-04 0.000 3.70E-05 0 0.161
Arizona HGNRVA 0.650 0.102 0.178 5.54E-03 0.000 2.57E-04 0 0.935
Arizona PHGI 0.007 0.014 0.061 3.07E-05 0.000 8.80E-06 0 0.082
Arizona Total HG 0.708 0.132 0.332 6.10E-03 0.000 3.03E-04 0 1.179
Arkansas HGIIGAS 0.144 0.350 0. 002 3.08E-04 0.000 2.28E-05 0 0.497
Arkansas HGNRVA 0.368 0.986 0.020 3.24E-03 0.000 1.48E-04 0 1.377
Arkansas PHGI 0.001 0.206 0.001 1.64E-05 0.000 6.04E-06 0 0.208
Arkansas Total HG 0.513 1.542 0.023 3.56E-03 0.000 1.76E-04 0 2.082
California HGIIGAS 0.005 0.726 0. 620 3.15E-03 0.037 1.04E-01 0 1.496
California HGNRVA 0.010 2.287 0.991 3.34E-02 0.071 2.01E-01 0 3.594
California PHGI 0.004 0.496 0.403 1.56E-04 0.019 5.39E-02 0 0.975
California Total HG 0.018 3.508 2.015 3.67E-02 0.127 3.60E-01 0 6.065
Colorado HGIIGAS 0.107 0.049 0.010 4.49E-04 0.000 3.20E-05 0 0.166
Colorado HGNRVA 0.306 0.349 0.022 4.72E-03 0.000 2.19E-04 0 0.682
Colorado PHGI 0.005 0.047 0.006 2.39E-05 0.000 7.87E-06 0 0.058
Colorado Total HG 0.418 0.445 0.038 5.19E-03 0.000 2.59E-04 0 0.907
Connecticut HGIIGAS 0.024 0.100 0. 051 3.29E-04 0.000 1.90E-05 0 0.175
Connecticut HGNRVA 0.065 0.047 0. 103 3.49E-03 0.000 1.54E-04 0 0.219
Connecticut PHGI 0.002 0.036 0. 033 1.54E-05 0.000 3.31E-06 0 0.071
Connecticut Total HG 0.091 0.183 0.187 3.84E-03 0.000 1.77E-04 0 0.465
Delaware HGIIGAS 0.087 0.057 0. 001 9.17E-05 0.001 5.56E-06 0 0.146
Delaware HGNRVA 0.045 0.600 0.001 9.67E-04 0.002 4.28E-05 0 0.65049 State

Species of ptipm [tons/yr] ptnonipm [tons/yr] nonpt [tons/yr] onroad [tons/yr] alm [tons/yr] nonroad [tons/yr] ptfire + nonptfire [tons/yr] all US sectors [tons/yr]

Delaware PHGI 0.013 0.022 0.001 4.73E-06 0.001 1.10E-06 0 0.036
Delaware Total HG 0.146 0.679 0.003 1.06E-03 0.003 4.94E-05 0 0.832
District of Columbia HGIIGAS 1.23E-03 2.24E-07 0.002 4.02E-05 0.000 2.17E-06 0 0.003
District of Columbia HGNRVA 2.06E-03 3.73E-07 0.005 4.26E-04 0.000 1.11E-05 0 0.008
District of Columbia PHGI 8.23E-04 1.49E-07 0.001 1.99E-06 0.000 7.39E-07 0 0.002
District of Columbia Total HG 4.11E-03 7.45E-07 0.008 4.68E-04 0.000 1.40E-05 0 0.013
Florida HGIIGAS 0.485 0.378 0.038 1.85E-03 0.000 1.37E-04 0 0.903
Florida HGNRVA 0.508 0.322 0.129 1.95E-02 0.000 1.04E-03 0 0.980
Florida PHGI 0.067 0.155 0.023 9.53E-05 0.000 2.78E-05 0 0.245
Florida Total HG 1.060 0.855 0.190 2.15E-02 0.000 1.21E-03 0 2.128 Georgia HGIIGAS 0.874 0.062 0.024 1.09E-03 0.000 5.48E-05 0 0.961 Georgia HGNRVA 0.603 0.503 0.099 1.14E-02 0.000 3.89E-04 0 1.217 Georgia PHGI 0.067 0.032 0.015 6.04E-05 0.000 1.26E-05 0 0.114 Georgia Total HG 1.544 0.597 0.138 1.26E-02 0.000 4.57E-04 0 2.292
Idaho HGIIGAS 0.000 0.067 0.015 1.46E-04 0.000 1.45E-05 0 0.082
Idaho HGNRVA 0.000 0.308 0.025 1. 53E-03 0.000 9.85E-05 0 0.334
Idaho PHGI 0.000 0.055 0.010 7. 85E-06 0.000 3.58E-06 0 0.065
Idaho Total HG 0.000 0.429 0.049 1.68E-03 0.000 1.17E-04 0 0.480
Illinois HGIIGAS 1.253 0.475 0.023 1.08E-03 0.000 8.76E-05 0 1.752
Illinois HGNRVA 2.585 1.231 0.105 1.14E-02 0.000 5.52E-04 0 3.932
Illinois PHGI 0.058 0.279 0.015 5.75E-05 0.000 2.40E-05 0 0.352
Illinois Total HG 3.896 1.984 0.143 1.25E-02 0.000 6.64E-04 0 6.036
Indiana HGIIGAS 1.143 0.754 0.018 7.46E-04 0.000 4.80E-05 0 1.915
Indiana HGNRVA 1.623 1.715 0.067 7.84E-03 0.000 3.06E-04 0 3.413
Indiana PHGI 0.091 0.415 0.011 4.00E-05 0.000 1.29E-05 0 0.517
Indiana Total HG 2.857 2.884 0.096 8.63E-03 0.000 3.67E-04 0 5.846
Iowa HGIIGAS 0.282 0.119 0.022 3.23E-04 0.000 4.45E-05 0 0.423
Iowa HGNRVA 0.899 0.446 0.055 3. 40E-03 0.000 2.57E-04 0 1.404
Iowa PHGI 0.013 0.092 0.014 1. 72E-05 0.000 1.35E-05 0 0.119

Iowa Total HG 1.194 0.658 0.091 3.74E-03 0.000 3.15E-04 0 1.946
Kansas HGIIGAS 0.166 0.304 0.016 2.92E-04 0.000 2.89E-05 0 0.486
Kansas HGNRVA 0.881 0.145 0.045 3.06E-03 0.000 1.38E-04 0 1.074
Kansas PHGI 0.007 0.107 0.011 1.59E-05 0.000 1.04E-05 0 0.125

Kansas Total HG 1.054 0.555 0.072 3.37E-03 0.000 1.78E-04 0 1.685 Kentucky HGIIGAS 0.786 0.146 0. 021 4.91E-04 0.000 2.61E-05 0 0.953 Kentucky HGNRVA 0.913 0.440 0.054 5.14E-03 0.000 1.75E-04 0 1.412 Kentucky PHGI 0.060 0.085 0.014 2.73E-05 0.000 6.55E-06 0 0.159 Kentucky Total HG 1.759 0.671 0.088 5.66E-03 0.000 2.08E-04 0 2.524
Louisiana HGIIGAS 0.146 0.291 0. 004 4.44E-04 0.000 3.18E-05 0 0.441
Louisiana HGNRVA 0.434 1.313 0.027 4.65E-03 0.000 2.43E-04 0 1.779
Louisiana PHGI 0.002 0.109 0.002 2.42E-05 0.000 6.38E-06 0 0.113
Louisiana Total HG 0.582 1.713 0.033 5.12E-03 0.000 2.81E-04 0 2.333
Maine HGIIGAS 0.001 0.073 0.036 1.49E-04 0.000 1.38E-05 0 0.109
Maine HGNRVA 0.001 0.074 0.087 1. 56E-03 0.000 1.20E-04 0 0.163
Maine PHGI 0.000 0.033 0.022 8. 35E-06 0.000 1.92E-06 0 0.05550 State

Species of ptipm [tons/yr] ptnonipm [tons/yr] nonpt [tons/yr] onroad [tons/yr] alm [tons/yr] nonroad [tons/yr] ptfire + nonptfire [tons/yr] all US sectors [tons/yr]

Maine Total HG 0.002 0.179 0.145 1.72E-03 0.000 1.36E-04 0 0.328 Maryland HGIIGAS 0.541 0.252 0.043 5.65E-04 0.000 3.15E-05 0 0.837 Maryland HGNRVA 0.294 0.185 0.095 5.98E-03 0.000 2.46E-04 0 0.580 Maryland PHGI 0.054 0.095 0.028 2.77E-05 0.000 6.01E-06 0 0.177 Maryland Total HG 0.889 0.532 0.166 6.57E-03 0.000 2.84E-04 0 1.593
Massachusetts HGIIGAS 0.099 0.147 0.084 5.54E-04 0.000 3.21E-05 0 0.331
Massachusetts HGNRVA 0.042 0.132 0. 230 5.84E-03 0.000 2.59E-04 0 0.410
Massachusetts PHGI 0.011 0.054 0. 051 2.84E-05 0.000 5.70E-06 0 0.116
Massachusetts Total HG 0.152 0.334 0.365 6.42E-03 0.000 2.96E-04 0 0.858 Michigan HGIIGAS 0.969 0.252 0. 015 1.01E-03 0.000 9.21E-05 0 1.236 Michigan HGNRVA 0.824 0.998 0.076 1.06E-02 0.000 7.76E-04 0 1.909 Michigan PHGI 0.097 0.185 0.009 5.52E-05 0.000 1.45E-05 0 0.290 Michigan Total HG 1.889 1.434 0.099 1.17E-02 0.000 8.82E-04 0 3.435
Minnesota HGIIGAS 0.128 1.053 0. 033 5.48E-04 0.000 6.10E-05 0 1.215
Minnesota HGNRVA 0.688 0.996 0.068 5.76E-03 0.000 4.20E-04 0 1.759
Minnesota PHGI 0.031 0.432 0.021 2.92E-05 0.000 1.48E-05 0 0.484
Minnesota Total HG 0.847 2.481 0.123 6.34E-03 0.000 4.96E-04 0 3.458 Mississippi HGIIGAS 0.139 0.202 0. 011 3.66E-04 0.000 2.01E-05 0 0.352 Mississippi HGNRVA 0.171 0.336 0.032 3.81E-03 0.000 1.42E-04 0 0.543 Mississippi PHGI 0.022 0.115 0.007 2.14E-05 0.000 4.69E-06 0 0.144 Mississippi Total HG 0.332 0.654 0.050 4.20E-03 0.000 1.66E-04 0 1.039
Missouri HGIIGAS 0.632 0.477 0.014 7.11E-04 0.000 4.40E-05 0 1.123
Missouri HGNRVA 1.033 0.549 0.024 7.46E-03 0.000 2.91E-04 0 1.613
Missouri PHGI 0.020 0.199 0.009 3.83E-05 0.000 1.13E-05 0 0.229
Missouri Total HG 1.685 1.225 0.047 8.21E-03 0.000 3.46E-04 0 2.966
Montana HGIIGAS 0.026 0.029 0.006 1.05E-04 0.000 1.25E-05 0 0.062
Montana HGNRVA 0.400 0.047 0.014 1.10E-03 0.000 6.26E-05 0 0.462
Montana PHGI 0.006 0.014 0.004 6.06E-06 0.000 4.30E-06 0 0.024

Montana Total HG 0.432 0.091 0.024 1.21E-03 0.000 7.93E-05 0 0.548
Nebraska HGIIGAS 0.111 0.029 0. 015 1.92E-04 0.000 2.33E-05 0 0.154
Nebraska HGNRVA 0.204 0.189 0.034 2.00E-03 0.000 1.02E-04 0 0.429
Nebraska PHGI 0.001 0.026 0.010 1.14E-05 0.000 8.88E-06 0 0.038
Nebraska Total HG 0.316 0.244 0.058 2.20E-03 0.000 1.34E-04 0 0.621
Nevada HGIIGAS 0.087 0.010 0.005 1.55E-04 0.000 1.75E-05 0 0.103
Nevada HGNRVA 0.209 6.452 0.017 1.65E-03 0.000 1.14E-04 0 6.680
Nevada PHGI 0.002 0.010 0.003 7.02E-06 0.000 4.56E-06 0 0.015
Nevada Total HG 0.298 6.472 0.026 1.81E-03 0.000 1.36E-04 0 6.797 New Hampshire HGIIGAS 0.013 0.043 0.019 1.29E-04 0.000 1.08E-05 0 0.076 New Hampshire HGNRVA 0.010 0.028 0. 039 1.35E-03 0.000 9.16E-05 0 0.078 New Hampshire PHGI 0.003 0.017 0. 013 7.07E-06 0.000 1.65E-06 0 0.033 New Hampshire Total HG 0.027 0.088 0.071 1.49E-03 0.000 1.04E-04 0 0.187 New Jersey HGIIGAS 0.055 0.194 0. 102 7.67E-04 0.000 4.71E-05 0 0.352 New Jersey HGNRVA 0.052 0.336 0. 132 8.15E-03 0.000 3.83E-04 0 0.529 New Jersey PHGI 0.008 0.090 0. 048 3.65E-05 0.000 8.12E-06 0 0.146 New Jersey Total HG 0.114 0.621 0.282 8.95E-03 0.000 4.38E-04 0 1.02651 State

Species of ptipm [tons/yr] ptnonipm [tons/yr] nonpt [tons/yr] onroad [tons/yr] alm [tons/yr] nonroad [tons/yr] ptfire + nonptfire [tons/yr] all US sectors [tons/yr]

New Mexico HGIIGAS 0.043 0.002 0. 004 2.37E-04 0.000 9.29E-06 0 0.050
New Mexico HGNRVA 0.988 0.007 0. 015 2.48E-03 0.000 6.54E-05 0 1.013
New Mexico PHGI 0.011 0.001 0. 003 1.34E-05 0.000 2.17E-06 0 0.015
New Mexico Total HG 1.042 0.010 0.022 2.73E-03 0.000 7.69E-05 0 1.078
New York HGIIGAS 0.256 0.754 0. 113 1.49E-03 0.000 9.03E-05 0 1.124
New York HGNRVA 0.229 0.592 0.483 1.58E-02 0.000 7.26E-04 0 1.320
New York PHGI 0.028 0.291 0.073 7.01E-05 0.000 1.61E-05 0 0.391
New York Total HG 0.512 1.637 0.669 1.74E-02 0.000 8.32E-04 0 2.836
North Carolina HGIIGAS 1.080 0.213 0.033 8.18E-04 0.000 5.70E-05 0 1.327
North Carolina HGNRVA 0.481 0.683 0.098 8.55E-03 0.000 4.11E-04 0 1.271
North Carolina PHGI 0.099 0.139 0.022 4.57E-05 0.000 1.28E-05 0 0.260
North Carolina Total HG 1.659 1.035 0.153 9.42E-03 0.000 4.81E-04 0 2.857
North Dakota HGIIGAS 0.131 0.005 0. 012 7.46E-05 0.000 2.08E-05 0 0.148
North Dakota HGNRVA 1.006 0.012 0. 025 7.80E-04 0.000 7.72E-05 0 1.044
North Dakota PHGI 0.006 0.003 0. 008 4.20E-06 0.000 8.67E-06 0 0.016
North Dakota Total HG 1.143 0.020 0.044 8.59E-04 0.000 1.07E-04 0 1.208
Ohio HGIIGAS 1.804 0.387 0.025 1.11E-03 0.000 7.71E-05 0 2.217
Ohio HGNRVA 1.919 2.034 0.110 1. 17E-02 0.000 5.42E-04 0 4.075
Ohio PHGI 0.198 0.246 0.015 5. 92E-05 0.000 1.81E-05 0 0.459
Ohio Total HG 3.921 2.667 0.151 1.29E-02 0.000 6.38E-04 0 6.751
Oklahoma HGIIGAS 0.215 0.094 0.003 4.70E-04 0.000 2.67E-05 0 0.312
Oklahoma HGNRVA 0.732 0.244 0.023 4.94E-03 0.000 1.78E-04 0 1.005
Oklahoma PHGI 0.007 0.059 0.002 2.53E-05 0.000 6.75E-06 0 0.067
Oklahoma Total HG 0.953 0.397 0.027 5.43E-03 0.000 2.12E-04 0 1.383 Oregon HGIIGAS 0.026 0.220 0.024 3.45E-04 0.000 2.53E-05 0 0.271 Oregon HGNRVA 0.058 0.971 0.060 3. 64E-03 0.000 1.82E-04 0 1.093 Oregon PHGI 0.000 0.182 0.016 1. 78E-05 0.000 5.68E-06 0 0.198 Oregon Total HG 0.084 1.374 0.099 4.00E-03 0.000 2.13E-04 0 1.561 Pennsylvania HGIIGAS 2.734 1.071 0. 097 1.09E-03 0.000 6.08E-05 0 3.903 Pennsylvania HGNRVA 1.752 1.769 0. 215 1.14E-02 0.000 4.68E-04 0 3.749 Pennsylvania PHGI 0.286 0.492 0. 064 5.66E-05 0.000 1.20E-05 0 0.842 Pennsylvania Total HG 4.771 3.333 0.376 1.26E-02 0.000 5.40E-04 0 8.493
Rhode Island HGIIGAS 0.000 0.030 0. 010 8.75E-05 0.000 4.97E-06 0 0.040
Rhode Island HGNRVA 0.000 0.013 0. 021 9.34E-04 0.000 4.07E-05 0 0.035
Rhode Island PHGI 0.000 0.011 0. 007 3.91E-06 0.000 8.46E-07 0 0.017
Rhode Island Total HG 0.000 0.053 0.038 1.03E-03 0.000 4.65E-05 0 0.092
South Carolina HGIIGAS 0.290 0.467 0.011 4.84E-04 0.000 2.95E-05 0 0.769
South Carolina HGNRVA 0.226 0.984 0.039 5.08E-03 0.000 2.18E-04 0 1.255
South Carolina PHGI 0.030 0.239 0.007 2.61E-05 0.000 6.30E-06 0 0.277
South Carolina Total HG 0.546 1.690 0.058 5.59E-03 0.000 2.54E-04 0 2.300
South Dakota HGIIGAS 0.016 0.001 0. 007 8.59E-05 0.000 1.56E-05 0 0.025
South Dakota HGNRVA 0.036 0.007 0. 017 8.96E-04 0.000 6.50E-05 0 0.061
South Dakota PHGI 0.000 0.001 0. 005 4.97E-06 0.000 6.15E-06 0 0.006
South Dakota Total HG 0.052 0.010 0.029 9.87E-04 0.000 8.68E-05 0 0.092
Tennessee HGIIGAS 0.659 0.234 0.007 6.90E-04 0.000 3.67E-05 0 0.90152 State

Species of ptipm [tons/yr] ptnonipm [tons/yr] nonpt [tons/yr] onroad [tons/yr] alm [tons/yr] nonroad [tons/yr] ptfire + nonptfire [tons/yr] all US sectors [tons/yr]

Tennessee HGNRVA 0.595 1.091 0.040 7.19E-03 0.000 2.64E-04 0 1.733
Tennessee PHGI 0.048 0.116 0.005 4.01E-05 0.000 8.30E-06 0 0.169

Tennessee Total HG 1.302 1.441 0.051 7.92E-03 0.000 3.09E-04 0 2.803
Texas HGIIGAS 1.399 1.246 0.050 2.21E-03 0.000 1.31E-04 0 2.697
Texas HGNRVA 3.326 2.628 0.152 2. 31E-02 0.000 8.77E-04 0 6.130
Texas PHGI 0.063 0.568 0.033 1. 26E-04 0.000 3.30E-05 0 0.664

Texas Total HG 4.788 4.441 0.236 2.54E-02 0.000 1.04E-03 0 9.491
Tribal Data HGIIGAS 0 3.72E-06 0 0 0 0 0 0.000
Tribal Data HGNRVA 0 6.20E-06 0 0 0 0 0 0.000
Tribal Data PHGI 0 2.48E-06 0 0 0 0 0 0.000
Tribal Data Total HG 0 1.24E-05 0 0 0 0 0 0.000
Utah HGIIGAS 0.054 0.833 0.005 2.54E-04 0.000 1.49E-05 0 0.892
Utah HGNRVA 0.075 0.528 0.022 2. 68E-03 0.000 1.09E-04 0 0.628
Utah PHGI 0.005 0.306 0.003 1. 30E-05 0.000 3.26E-06 0 0.315
Utah Total HG 0.134 1.667 0.031 2.95E-03 0.000 1.27E-04 0 1.835
Vermont HGIIGAS 0.001 0.000 0.013 9.73E-05 0.000 5.26E-06 0 0.015
Vermont HGNRVA 0.002 0.000 0.025 1.02E-03 0.000 4.34E-05 0 0.028
Vermont PHGI 0.001 0.000 0.008 5.37E-06 0.000 8.75E-07 0 0.009

Vermont Total HG 0.004 0.001 0.046 1.12E-03 0.000 4.95E-05 0 0.053 Virginia HGIIGAS 0.459 0.316 0. 046 8.05E-04 0.000 4.45E-05 0 0.821 Virginia HGNRVA 0.197 0.581 0.113 8.49E-03 0.000 3.26E-04 0 0.900 Virginia PHGI 0.044 0.150 0.030 4.12E-05 0.000 9.67E-06 0 0.224 Virginia Total HG 0.701 1.047 0.188 9.34E-03 0.000 3.80E-04 0 1.945 Washington HGIIGAS 0.087 0.051 0. 019 5.57E-04 0.004 4.15E-05 0 0.161 Washington HGNRVA 0.195 0.182 0.063 5.83E-03 0.007 3.01E-04 0 0.453 Washington PHGI 0.000 0.034 0.012 3.07E-05 0.002 9.23E-06 0 0.048 Washington Total HG 0.282 0.267 0.093 6.42E-03 0.012 3.51E-04 0 0.662 West Virginia HGIIGAS 1.557 0.380 0.059 2.01E-04 0.000 8.99E-06 0 1.996 West Virginia HGNRVA 0.856 1.162 0.109 2.10E-03 0.000 7.01E-05 0 2.129 West Virginia PHGI 0.138 0.232 0.039 1.09E-05 0.000 1.73E-06 0 0.410 West Virginia Total HG 2.551 1.774 0.208 2.31E-03 0.000 8.08E-05 0 4.535
Wisconsin HGIIGAS 0.341 0.109 0. 082 6.04E-04 0.000 5.82E-05 0 0.533
Wisconsin HGNRVA 0.749 0.654 0.171 6.34E-03 0.000 4.54E-04 0 1.581
Wisconsin PHGI 0.011 0.044 0.054 3.26E-05 0.000 1.11E-05 0 0.109
Wisconsin Total HG 1.101 0.807 0.308 6.98E-03 0.000 5.24E-04 0 2.224 Wyoming HGIIGAS 0.071 0.018 0.012 9.10E-05 0.000 5.51E-06 0 0.101 Wyoming HGNRVA 0.861 0.063 0.023 9.48E-04 0.000 3.94E-05 0 0.947 Wyoming PHGI 0.004 0.014 0.008 5.28E-06 0.000 1.26E-06 0 0.026 Wyoming Total HG 0.936 0.095 0.042 1.04E-03 0.000 4.61E-05 0 1.074
CONUS Total HGIIGAS 20.674 13. 441 1.992 0.029 0.042 0.106 0 36.284
CONUS Total HGNRVA 29.405 37. 287 4.657 0.305 0.080 0.214 0 71.948
CONUS Total PHGI 1.709 6. 817 1.274 0.002 0.021 0.054 0 9.877
CONUS Total Total HG 51.788 57.545 7.923 0.335 0.143 0.374 0 118.10853 Table 4-2. Mercury Emissions from non-NEI anthropogenic sectors [tons/year]

Region Species othar_hg othpt_hg Canada HGIIGAS 1.08 1.72 Canada HGNRVA 0.86 3.59 Canada PHGI 0.34 0.50 Canada Total HG 2.28 5.81

Table 4-3. Mercury Emissions from non-anthropogenic sources [tons/year].

Region Species landdirect landrecycled oceandirect oceanrecycled volcanic TOTALDomainwide HGNRVA 120.77 158.01 7.27 56.51 0.02 342.58

Table 4-4 provides a summary of CAPs and all HAP inventory pollutants that are HAP model species in the CMAQ Multipollutant model. For those HAPs that are speciated in SMOKE, both the inventory (pre-speciated) and SMOKE-speciat ed totals are provided. This provides an understanding of the magnitude of emissions that we re provided pre-speciate d in the inventory as compared to the emissions that were speciated by SMOKE. Note that the alm sector totals include the small amount of tribal data. Thes e emissions were not in cluded in the CMAQ-ready emissions because we did not know the extent to which they may have already been accounted for in the county estimates. We did model the trib al point estimates. The magnitude of the tribal emissions data is provided in the emi ssions summary contained in Appendix C.54Table 4-4. Sector Emission Totals From 2002 MP Platform for CONUS domain(i.e. the lower 48 states, plus DC, tribal data9).Sectorptnonipmtons/yearptipmtons/yearnonpttons/yearagtons/yearafdusttons/yearnonptfiretons/yearptfiretons/yearalmtons/yearonroadtons/yearnonroadtons/yearsum - allUS sectorstons/yearTotal VOC 1,425,143.4 42,378.3 7,929,897.3 0.0 0.0 136,301.3 1,688,982.8 123,676.4 4,847,989.2 2,873,622.3 19,067,991.1Non-IntegratedVOC1,309,769.9 42,378.3 1,844,006.1 0.0 0.0 54,074.3 1,688,982.8 66,667.6 343,692.3 212,943.3 5,562,514.7NONHAPVOC 99,133.6 0.0 5,319,837.4 0.0 0.0 75,063.0 0.0 44,291.7 3,293,382.1 1,907,282.1 10,738,989.9Sum of integrateHAP16,239.8 0.0 766,053.8 0.0 0.0 7,164.0 0.0 12,717.2 1,210,914.8 753,396.9 2,766,486.5FORMALD 14,556.1 664.0 11,553.9 0.0 0.0 4,536.9 59,278.2 10,157.3 66,751.7 39,254.7 206,752.7ACETALD 7,706.5 344.9 6,613.4 0.0 0.0 817.9 9,398.2 4,095.4 25,590.2 16,506.8 71,073.2METHANOL 80,042.6 2.5 155,687.6 0.0 0.0 1,304.5 0.0 3.2 0.0 846.6 237,886.9NOX 2,368,988.7 4,618,949.8 1,531,600.0 0.0 0.0 12,944.5 69,668.92,259,835.2 7,786,700.5 2,176,137.1 20,824,824.9CO 3,195,466.3 605,149.2 7,526,686.9 0.0 0.0 681,666.0 7,357,626.6 806,475.0 59,810,759.1 21,385,825.2 101,369,654.2SO2 2,249,551.3 10,359,113.1 1,250,262.1 0.0 0.0 5,720.1 61,508.5 312,313.2 242,378.4 187,281.3 14,668,127.9NH3 154,179.0 29,990.8 135,542.7 3,251,987.3 0.0 5,763.4 117,650.2 904.4 290,707.0 1,859.4 3,988,584.3PM10 600,353.4 608,706.6 1,377,053.8 0.0 8,858,993.0 36,228.2 706,751.5 97,038.1 200,685.9 227,872.1 12,713,682.7PM2_5 372,327.8 501,996.8 1,100,882.0 0.0 1,830,268.4 30,700.9 598,934.9 86,719.3 146,003.2 216,654.6 4,884,487.9HCL 94,418.5 338,835.9 130,314.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 563,568.5CL2 (CHLORINE) 9,945.1 109.8 2,135.4 0.0 0.0 0.0 0.0 2.9 0.0 374.7 12,568.0Inventory chromium(CHROM)382.4 95.4 52.2 0.0 0.0 0.0 0.0 12.7 0.0 2.8 545.5Inventoryhexavalentchromium(CHROMHEX) 12.5 26.0 0.5 0.0 0.0 0.0 0.0 0.2 2.9 0.2 42.5Inventory trivalentchromium(CHROMTRI) 20.7 18.1 0.2 0.0 0.0 0.0 0.0 0.3 11.5 0.5 51.2SMOKE-speciatedhexavalentchromium - coarse(CHROMHEX_C) 23.7 11.0 3.4 0.0 0.0 0.0 0.0 0.5 0.4 0.1 39.2SMOKE-speciatedhexavalentchromium - fine(CHROMHEX_F) 58.1 26.8 8.4 0.0 0.0 0.0 0.0 2.0 2.5 0.6 98.5SMOKE-speciatedtrivalent chromium -coarse96.8 29.5 11.9 0.0 0.0 0.0 0.0 2.1 1.6 0.5 142.59Although tribal data from the “alm” sectorare included in these summaries, they were not used in the modeling. Only ptipm and ptnonipm tribal data wereused in the modeling. Nonpoint (nonpt, ag, afdust, nonptfire) tribal data are not included in these summaries.55Sectorptnonipmtons/yearptipmtons/yearnonpttons/yearagtons/yearafdusttons/yearnonptfiretons/yearptfiretons/yearalmtons/yearonroadtons/yearnonroadtons/yearsum - allUS sectorstons/year(CHROMTRI_C)SMOKE-speciatedtrivalent chromium -fine(CHROMTRI_F) 236.9 72.3 29.2 0.0 0.0 0.0 0.0 8.6 9.9 2.2 359.0Inventory"HGSUM" 57.4 1.6 7.9 0.0 0.0 0.0 0.0 0.1 0.0 0.4 67.4Inventory elementalmercury (HG) 0.1 28.6 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.013 29.0Inventory gaseousdivalent mercury(HGIIGAS) 0.1 20.2 0.0 0.0 0.0 0.0 0.0 0.0 0.029 0.002 20.3Inventoryparticulate divalentmercury (PHGI)0.004 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.002 0.0004 1.4SMOKE-speciatedelemental mercury(HGNRVA) 37.3 29.4 4.7 0.0 0.0 0.0 0.0 0.10.3 0.2 71.9SMOKE-speciatedgaseous divalentmercury (SHGIIGAS) 13.4 20.7 2.0 0.0 0.0 0.0 0.0 0.042 0.029 0.1 36.3SMOKE-speciatedparticulate divalentmercury (S-PHGI)6.8 1.7 1.3 0.0 0.0 0.0 0.0 0.021 0.002 0.1 9.9CADMIUM 47.9 24.6 14.8 0.0 0.0 0.0 0.0 2.3 0.0 0.9 90.5BERYLLIUM 24.5 9.8 6.9 0.0 0.0 0.0 0.0 0.6 0.0 0.0 41.9LEAD 904.1 211.2 94.1 0.0 0.0 0.0 0.0 441.8 0.0 0.4 1,651.6MANGANESE 2,014.4 267.5 85.0 0.0 0.0 0.0 0.0 1.3 14.4 3.5 2,386.1NICKEL 522.1 323.0 111.4 0.0 0.0 0.0 0.0 31.4 15.1 3.8 1,006.7BENZENE 7,972.3 534.3 107,108.2 0.0 0.0 1,674.9 25,898.2 1,739.1 166,762.1 68,128.0 379,817.1TOLUENE 60,841.1 284.1 139,780.6 0.0 0.0 945.5 13,081.5 1,625.8 422,976.9 226,647.5 866,183.0Inventory xylenes(XYLS) 31,539.5 82.0 98,432.5 0.0 0.0 422.0 5,571.0 1,047.9 0.0 0.0 137,094.9Inventory m-xylene(MXYL) 620.0 245.8 664.2 0.0 0.0 0.0 0.0 47.6 179,043.7 145,481.8 326,103.2Inventory o-xylene(OXYL) 683.4 54.6 4,109.5 0.0 0.0 0.0 0.0 73.0 65,433.2 51,701.9 122,055.5Inventory p-xylene(PXYL) 973.9 0.1 77.7 0.0 0.0 0.0 0.0 6.4 0.0 41.2 1,099.2SMOKE-speciatedm-xylene (SMXYL) 17,050.1 288.4 52,512.5 0.0 0.0 219.4 2,896.9 600.8 345,847.3 285,423.2 704,838.6SMOKE-speciatedo-xylene (S-OXYL)5,764.8 67.7 23,403.6 0.0 0.0 67.5 891.4 261.9 126,298.2 101,438.8 258,193.956Sectorptnonipmtons/yearptipmtons/yearnonpttons/yearagtons/yearafdusttons/yearnonptfiretons/yearptfiretons/yearalmtons/yearonroadtons/yearnonroadtons/yearsum - allUS sectorstons/yearSMOKE-speciatedp-xylene (S_PXYL) 6,026.4 13.2 15,903.3 0.0 0.0 67.5 891.4 174.1 0.0 41.2 23,117.11,3-butadiene(BUTADIE)1,331.3 1.2 793.7 0.0 0.0 540.1 9,323.4 639.0 20,367.0 9,114.2 42,109.7naphthalene(NAPHTH)2,556.4 13.5 7,231.2 0.0 0.0 0.0 0.0 741.0 3,469.8 727.0 14,738.9acrolein(ACROLEI)860.2 145.0 2,584.1 0.0 0.0 667.3 9,760.8 620.9 3,301.6 1,673.4 19,613.21,3-dichloropropene(DICLPRO13)7.1 0.025 11,514.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11,521.8vinyl chloride(VINYCHLRI) 1,059.2 0.5 244.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1,304.6trichloroethylene(CL3_ETHE) 5,358.9 0.1 5,486.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10,845.91,2-dichloropropane(PROPDICLR) 156.0 0.1 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160.51,2-dibromoethane(ETHDIBROM) 8.7 14.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.61,2-dichloroethane(CL2_C2_12) 376.5 18.2 60.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 455.4tetrachloroethylene(PERC) 5,266.0 19.8 29,817.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35,103.7carbon tetrachloride(CARBONTET) 380.3 0.3 76.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 457.2dichloromethane(MECL) 9,078.7 128.9 40,879.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50,087.41,1,2,2-tetrachloroethane(TTCLE1122) 251.9 0.003 44.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296.1chloroform(CHCL3)1,069.5 27.9 5,659.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6,756.5p-dichlorobenzene(DICHLRBNZN)140.2 0.4 7,062.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7,203.2acrylonitrile(ACRYNITRL)892.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 892.3ethylene oxide(ETOX) 322.5 0.0 369.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 691.8QUINOLINE 3.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7HYDRAZINE 5.5 0.004 0.1 0.0 0.0 0.0 0.0 0.00.0 0.0 5.62,4-toluenediisocyanate(TOL_DIIS)38.2 0.0 47.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85.8hexamethylene 1-6-diisocyanate(HEXAMTHLE) 24.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 24.557Sectorptnonipmtons/yearptipmtons/yearnonpttons/yearagtons/yearafdusttons/yearnonptfiretons/yearptfiretons/yearalmtons/yearonroadtons/yearnonroadtons/yearsum - allUS sectorstons/yearmaleic anhydride(MALANHYD) 144.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144.3triethylamine(TRIETHLAMN)732.0 0.0 81.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 813.358 Table 4-5 provides a summary of CAP VOC and HAP VOC emissions used in the HAP integration. It summarizes the amount of VOC in each sector and the quantity replaced by integration with VOC HAPs. The nonpt sector has the largest VOC emissions, followed by onroad and nonroad. The onroad a nd nonroad sectors have the most HAP VOC integration, with a nearly 25% replacement of CAP by HAP VOC.

Table 4-5 also summarizes the quantity of emi ssions of each HAP used in the “integrate” and “no-integrate” cases, for each HAP eligible for integration. Summaries of this information at the State level are availabl e in excel format at http://www.epa.gov/ttn/chief/emch/index.html#2002

, under the link “CAP and HAP 2002-Ba sed Platform, Version 3.”

Table 4-5. Summary of VOC and VOC HAP em issions used in VOC HAP integration. From 2002 MP Platform for CONUS domain ( i.e. the lower 48 states, plus DC, tribal data 9 ).

ptnonipm ptipm nonpt nonptfire ptfire alm onroad nonroad sum - all US sectors Amount of VOC total 1,425,157.53 42,378.26 7,929,917.02 136,301.24 1,688,982.84 123,675.84 4,847,990.04 2,873,622.50 19,068,025 .26 Amount of VOC

integrated 115,370.22 0.00 6,085,905.76 82,226.61 0.00 57,008.78 4,504,296.87 2,660,678.97 13,505,487.21 Amount of VOC not integrated 1,309,787.30 42,378.26 1,844,011.26 54,074.63 1,688,982.84 66,667.07 343,693.17 212,943.54 5,562,538.05 Total HAP VOC

integrated 16,245.02 0.00 766,053.84 7,163.94 0.00 12,717.17 1,210,908.37 753,381.32 2,766,469.66 Total HAP VOC not integrated 332,870.28 4,924.13 135,046.18 4,564.31 136,897.64 10,205.18 93,204.09 46,118.45 763,830.26 Percent VOC replacement with HAP VOC 1.14% 0.00% 9.66% 5.26% 0.00% 10.28% 24.98% 26.22% 14.51%

Acetaldehyde integrated 270.48 0.00 5,886.29 491.81 0.00 2,219.66 23,693.01 13,658.76 46,220.02

Acetaldehyde not integrated 7,435.99 344.89 727.05 326.13 9,398.18 1,875.69 1,897.18 2,848.01 24,853.11 Acrolein integrated 58.46 0.00 1,990.89 510.79 0.00 361.31 2,899.86 1,326.27 7,147.57 Acrolein not integrated 801.70 144.98 593.16 156.54 9,760.75 259.60 401.72 347.15 12,465.60

Benzene integrated 788.43 0.00 93,381.95 1,355.27 0.00 969.92 159,170.18 63,420.47 319,086.22 Benzene not integrated 7,183.86 534.34 13,726.31 319.61 25,898.23 769.19 7,592.00 4,707.55 60,731.09 1,3-Butadiene integrated 16.11 0.00 694.21 487.90 0.00 374.04 18,791.96 8,069.40 28,433.62 1,3-Butadiene not integrated 1,315.16 1.16 99.48 52.18 9,323.36 264.91 1,575.08 1,044.76 13,676.09 Carbon tetrachloride integrated 0.57 0.00 31.52 0.00 0.00 0.00 0.00 0.00 32.09 Carbon tetrachloride not integrated 379.75 0.26 45.08 0.00 0.00 0.00 0.00 0.00 425.09 Chloroform integrated 38.59 0.00 213.93 0.00 0.00 0.00 0.00 0.00 252.51 Chloroform not

integrated 1,030.89 27.86 5,445.22 0.00 0.00 0.00 0.00 0.00 6,503.97 1,2-Dichloroethane integrated 2.10 0.00 48.90 0.00 0.00 0.00 0.00 0.00 51.00 1,2-Dichloroethane not integrated 374.38 18.24 11.82 0.00 0.00 0.00 0.00 0.00 404.44 Trichloroethylene integrated 143.23 0.00 4,569.70 0.00 0.00 0.00 0.00 0.00 4,712.9359 ptnonipm ptipm nonpt nonptfire ptfire alm onroad nonroad sum - all US sectors Trichloroethylene not integrated 5,215.72 0.12 917.09 0.00 0.00 0.00 0.00 0.00 6,132.93 p-Dichlorobenzene integrated 0.78 0.00 5,837.55 0.00 0.00 0.00 0.00 0.00 5,838.32 p-Dichlorobenzene not integrated 139.42 0.37 1,225.11 0.00 0.00 0.00 0.00 0.00 1,364.90 Ethylene oxide integrated 3.20 0.00 186.03 0.00 0.00 0.00 0.00 0.00 189.23 Ethylene oxide not integrated 319.34 0.00 183.28 0.00 0.00 0.00 0.00 0.00 502.62 Formaldehyde integrated 1,320.94 0.00 8,947.43 3,102.06 0.00 5,617.00 60,584.68 31,594.42 111,166.52 Formaldehyde not integrated 13,235.16 664.02 2,606.50 1,434.84 59,278.16 4,540.34 6,167.06 7,660.27 95,586.34 Methanol integrated 3,270.30 0.00 144,282.36 0.00 0.00 1.27 0.00 0.00 147,553.93 Methanol not integrated 76,772.24 2.46 11,404.71 1,304.45 0.00 1.90 0.00 846.59 90,332.35 Naphthalene integrated 68.36 0.00 5,780.62 0.00 0.00 461.55 3,228.90 547.37 10,086.80 Naphthalene not

integrated 2,488.04 13.54 1,450.67 0.00 0.00 279.43 240.92 179.61 4,652.21 2,4-Toluene diisocyanate integrated 0.55 0.00 36.73 0.00 0.00 0.00 0.00 0.00 37.28 2,4-Toluene diisocyanate not integrated 37.65 0.00 10.84 0.00 0.00 0.00 0.00 0.00 48.50 Toluene integrated 3,124.61 0.00 112,478.69 684.56 0.00 931.38 403,267.29 217,888.15 738,374.68 Toluene not integrated 57,717.04 284.06 27,301.30 260.90 13,081.48 694.46 19,709.63 8,759.33 127,808.19 Triethylamine integrated 15.26 0.00 57.40 0.00 0.00 0.00 0.00 0.00 72.66 Triethylamine not integrated 716.72 0.00 23.94 0.00 0.00 0.00 0.00 0.00 740.66 m-Xylene integrated 29.41 0.00 663.30 0.00 0.00 8.23 166,803.70 139,941.38 307,446.02 m-Xylene not integrated 590.61 245.79 0.93 0.00 0.00 39.41 12,240.34 5,540.39 18,657.45

o-Xylene integrated 35.06 0.00 3,545.14 0.00 0.00 21.26 60,865.19 49,736.88 114,203.53 o-Xylene not integrated 648.37 54.57 564.29 0.00 0.00 51.71 4,567.91 1,965.04 7,851.89

p-Xylene integrated 6.23 0.00 76.43 0.00 0.00 0.04 0.00 0.00 82.70 p-Xylene not integrated 967.67 0.05 1.23 0.00 0.00 6.34 0.00 41.21 1,016.49

Xylenes integrated 2,934.00 0.00 68,404.92 291.53 0.00 603.36 0.00 0.00 72,233.82 Xylenes not integrated 28,605.60 82.04 30,027.54 130.45 5,571.00 444.54 0.00 0.00 64,861.17 Acenaphthene integrated 0.13 0.00 98.62 0.00 0.00 3.34 22.79 19.29 144.17 Acenaphthene not integrated 36.70 0.28 19.64 0.00 0.00 2.42 1.91 0.00 60.95 Acenaphthylene

integrated 0.69 0.00 1,278.42 0.00 0.00 21.35 121.19 38.23 1,459.87 Acenaphthylene not integrated 3.09 0.19 379.47 0.00 0.00 15.54 10.53 0.00 408.82 Acetophenone integrated 0.29 0.00 33.78 0.00 0.00 0.00 0.00 0.00 34.07 Acetophenone not integrated 164.91 7.06 3.72 0.00 0.00 0.00 0.00 0.00 175.68 Anthracene integrated 0.15 0.00 100.00 6.02 0.00 5.15 27.33 7.82 146.48

Anthracene not integrated 10.33 0.11 31.73 0.00 115.10 3.73 2.33 0.00 163.33 Benz[a]-anthracene integrated 0.08 0.00 134.07 7.47 0.00 1.31 6.34 2.31 151.57 Benz[a]-anthracene

not integrated 9.19 0.26 41.18 0.00 142.73 0.89 0.51 0.00 194.76 Benzo[a]pyrene

integrated 0.08 0.00 38.12 1.78 0.00 0.60 4.07 2.00 46.67 Benzo[a]pyrene not integrated 15.55 0.23 16.36 0.00 34.07 0.43 0.35 0.00 66.99 Benzo[b]-fluoranthene integrated 0.02 0.00 49.15 0.00 0.00 0.70 4.52 1.49 55.88 Benzo[b]-fluoranthene not integrated 0.94 0.01 20.64 0.00 0.00 0.50 0.41 0.00 22.50 Benzo[e]pyrene

integrated 0.00 0.00 37.72 3.20 0.00 0.00 0.00 0.00 40.93 Benzo[e]pyrene not integrated 0.28 0.01 18.82 0.00 61.23 0.00 0.00 0.00 80.3560 ptnonipm ptipm nonpt nonptfire ptfire alm onroad nonroad sum - all US sectors Benzo[g,h,i]-perylene integrated 0.05 0.00 48.62 6.12 0.00 1.05 8.09 7.10 71.03 Benzo[g,h,i]-perylene not integrated 6.26 5.88 15.82 0.00 116.94 0.78 0.69 0.00 146.38 Benzo[k]-fluoranthene integrated 0.03 0.00 16.83 3.13 0.00 0.67 4.52 1.37 26.55 Benzo[k]-fluoranthene not integrated 0.63 0.00 7.29 0.00 59.85 0.48 0.41 0.00 68.67 Biphenyl integrated 4.58 0.00 63.21 0.00 0.00 0.00 0.00 0.00 67.79 Biphenyl not integrated 329.86 0.81 6.18 0.00 0.00 0.00 0.00 0.00 336.85 Benzo[g,h,i]-fluoranthene integrated 0.00 0.00 12.60 0.00 0.00 0.00 0.00 0.00 12.60 Benzo[g,h,i]-fluoranthene not integrated 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 1.94 Carbon disulfide

integrated 2.31 0.00 120.82 0.00 0.00 0.00 0.00 0.00 123.13 Carbon disulfide not integrated 15,159.68 60.94 175.31 0.00 0.00 0.00 0.00 0.00 15,395.92 Chlorobenzene

integrated 18.57 0.00 1,973.56 0.00 0.00 0.00 0.00 0.00 1,992.13 Chlorobenzene not integrated 446.35 9.80 1,119.28 0.00 0.00 0.07 0.00 0.00 1,575.49 Chrysene integrated 0.04 0.00 90.08 7.47 0.00 0.66 3.60 1.85 103.70 Chrysene not integrated 10.42 0.34 30.91 0.00 142.73 0.47 0.32 0.00 185.18 Cresol integrated 1.02 0.00 828.88 0.00 0.00 0.00 0.00 0.00 829.90 Cresol not integrated 731.60 0.00 0.28 0.00 0.00 0.00 0.00 0.00 731.88

Cumene integrated 17.41 0.00 284.27 0.00 0.00 0.15 0.00 0.00 301.83 Cumene not integrated 843.17 2.52 143.47 0.00 0.00 1.99 0.00 66.67 1,057.82

DEHP integrated 7.95 0.00 10.43 0.00 0.00 0.00 0.00 0.00 18.38 DEHP not integrated 216.37 33.04 4.32 0.00 0.00 0.00 0.00 0.00 253.73 Dibenzo[a,h]-anthracene integrated 0.01 0.00 31.04 0.00 0.00 0.00 0.00 0.05 31.10 Dibenzo[a,h]-anthracene not integrated 0.28 0.04 1.81 0.00 0.00 0.00 0.00 0.00 2.14 Dibutylphthalate

integrated 6.16 0.00 2,312.99 0.00 0.00 0.00 0.00 0.00 2,319.14 Dibutylphthalate not integrated 112.03 0.09 5.56 0.00 0.00 0.00 0.00 0.00 117.69 Dimethyl formamide integrated 6.06 0.00 468.28 0.00 0.00 0.00 0.00 0.00 474.34 Dimethyl formamide

not integrated 308.82 0.00 357.55 0.00 0.00 0.00 0.00 0.00 666.37 Dimethyl phthalate integrated 21.52 0.00 5.85 0.00 0.00 0.00 0.00 0.00 27.37 Dimethyl phthalate

not integrated 231.72 0.04 1.56 0.00 0.00 0.00 0.00 0.00 233.31 Ethylene glycol

integrated 40.91 0.00 45,114.10 0.00 0.00 0.00 0.00 0.00 45,155.01 Ethylene glycol not integrated 3,019.16 0.00 8,490.61 0.00 0.00 0.00 0.00 0.00 11,509.76 Ethylbenzene integrated 520.41 0.00 7,866.51 0.00 0.00 201.64 59,935.27 42,019.13 110,542.96

Ethylbenzene not integrated 6,095.58 142.78 4,770.43 31.31 0.00 154.19 3,738.72 1,895.72 16,828.72 Ethyl chloride integrated 4.20 0.00 532.56 0.00 0.00 0.00 0.00 0.00 536.76 Ethyl chloride not integrated 576.39 18.79 402.78 0.00 0.00 0.00 0.00 0.00 997.95 Fluoranthene integrated 0.23 0.00 145.51 8.11 0.00 4.63 28.65 20.52 207.64

Fluoranthene not integrated 107.77 0.85 52.07 0.00 154.93 3.38 2.65 0.00 321.64 Fluorene integrated 0.28 0.00 168.11 0.00 0.00 8.23 47.56 35.04 259.22 Fluorene not integrated 4.98 0.52 55.57 0.00 0.00 5.89 4.10 0.00 71.06

Hexane integrated 755.41 0.00 32,602.87 19.76 0.00 254.89 52,108.77 32,250.17 117,991.87 Hexane not integrated 34,868.33 1,554.93 7,951.79 39.13 377.60 171.59 5,567.87 1,824.06 52,355.3161 ptnonipm ptipm nonpt nonptfire ptfire alm onroad nonroad sum - all US sectors Indeno[1,2,3-c,d]-pyrene integrated 0.02 0.00 47.53 4.11 0.00 0.32 2.30 2.15 56.43 Indeno[1,2,3-c,d]-pyrene not integrated 0.93 0.49 9.55 0.00 78.50 0.24 0.20 0.00 89.91 m-Cresol integrated 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 m-Cresol not integrated 19.77 0.00 0.58 0.00 0.00 0.00 0.00 0.00 20.35

Methyl ethyl ketone integrated 1,611.00 0.00 89,947.46 0.00 0.00 0.75 0.00 0.00 91,559.21 Methyl ethyl ketone

not integrated 17,051.88 173.01 5,192.96 296.79 0.00 94.47 0.00 464.26 23,273.37 Methyl isobutyl ketone integrated 440.98 0.00 68,943.22 0.00 0.00 0.00 0.00 0.00 69,384.20 Methyl isobutyl ketone not integrated 6,930.61 0.43 862.65 0.00 0.00 0.00 0.00 0.00 7,793.69 Methyl methacrylate integrated 14.14 0.00 62.47 0.00 0.00 0.00 0.00 0.00 76.61 Methyl methacrylate

not integrated 1,603.11 9.18 29.01 0.00 0.00 0.00 0.00 0.00 1,641.29 Methyl tert butyl ether integrated 160.56 0.00 29,430.11 0.00 0.00 3.51 36,235.12 46,133.89 111,963.17 Methyl tert butyl ether not integrated 2,369.23 16.35 47.93 0.00 0.00 2.34 23,040.12 4,701.76 30,177.74 Methyl chloride

integrated 3.26 0.00 3,846.58 154.59 0.00 0.00 0.00 0.00 4,004.44 Methyl chloride not integrated 1,545.27 236.99 2,467.11 32.61 2,954.12 0.00 0.00 0.00 7,236.11 o-Cresol integrated 0.68 0.00 222.17 0.00 0.00 0.00 0.00 0.00 222.86 o-Cresol not integrated 64.50 0.00 0.95 0.00 0.00 0.00 0.00 0.00 65.45

p-Cresol integrated 0.74 0.00 5.79 0.00 0.00 0.00 0.00 0.00 6.53 p-Cresol not integrated 15.31 0.26 1.91 0.00 0.00 0.00 0.00 0.00 17.48

Perylene integrated 0.00 0.00 1.10 1.03 0.00 0.00 0.00 0.00 2.13 Perylene not integrated 0.07 0.01 0.13 0.00 19.71 0.00 0.00 0.00 19.90 Phenanthrene integrated 0.84 0.00 609.75 6.02 0.00 19.23 78.51 63.50 777.84

Phenanthrene not integrated 33.25 1.52 166.36 0.00 115.10 13.81 7.03 0.00 337.07 Phenol integrated 94.95 0.00 1,715.18 0.00 0.00 29.69 0.00 0.00 1,839.82 Phenol not integrated 4,692.43 9.69 1,304.19 3.26 0.00 20.63 0.00 0.00 6,030.21

Propionaldehyde integrated 42.61 0.00 2,827.88 0.00 0.00 376.10 3,322.83 3,366.50 9,935.92 Propionaldehyde not integrated 495.15 165.34 79.53 91.31 0.00 303.33 280.28 412.91 1,827.87 Propylene oxide

integrated 0.47 0.00 32.55 0.00 0.00 0.00 0.00 0.00 33.02 Propylene oxide not integrated 200.01 30.27 25.00 0.00 0.00 0.00 0.00 0.00 255.27 Pyrene integrated 0.22 0.00 171.26 11.19 0.00 6.56 39.79 22.59 251.61 Pyrene not integrated 4.37 0.21 60.88 0.00 213.86 4.74 3.64 0.00 287.69

Styrene integrated 210.64 0.00 3,970.51 0.00 0.00 150.80 11,912.54 2,520.30 18,764.79 Styrene not integrated 26,202.38 18.43 3,787.72 84.80 0.00 98.94 405.34 171.65 30,769.25 2,2,4-Trimethylpentane integrated 52.09 0.00 12,577.49 0.00 0.00 56.81 147,689.82 100,682.91 261,059.13 2,2,4-Trimethylpentane not integrated 468.84 0.00 495.82 0.00 0.00 76.81 5,744.85 2,641.50 9,427.82 Vinyl acetate integrated 75.50 0.00 61.81 0.00 0.00 0.00 0.00 0.00 137.31 Vinyl acetate not integrated 1,887.49 3.68 22.31 0.00 0.00 0.00 0.00 0.00 1,913.4762 

## 5 References

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