## A-1



# Appendix A: Revisions to PTIPM Sector SO2 and NOX emissions from V4 to V4.1

Table A-1. Plant level summary of V4.1 differences for SO2 and NOX, ptipm sector

state count y plant_id Plant

name Plantlevel annual

tons NOX, V4 Plantlevel annual

tons NOX, V4.1 NOX

DIFFERE NCE : Platfor m V4.1 minus V4 Plantlevel annual

tons SO2, V4 Plantlevel annual

tons SO2, V4.1 SO2

DIFFERE NCE : Platform V4.1 minus V4 Data

Source of data in V4 Comme

nts on update d emissio

ns

CA ( 06) San Diego (073) 37122772 SouthBay

Power Plant 108.23 45.34 (62.9) 21.4 4.2 (17.2) NOx and SO2 from 2002 NEI

CA (06) San Diego (073) 37122773 Encina

Power Plant 301.93 289.40 (12.5) 51.0 47.2 (3.8) NOx and SO2 from 2002 NEI
CA Total (75.4) (21.1)

MA (25) Hamp den (013) 0420001 StonyBroo

Energy Center 458.07 176.02 (282. 1) NOx and SO2 from 2002 NEI

MA (25) Middl

esex (017) 1190128 EXELON

MYSTIC LLC

1,154.92 953.94 (201.0) 5007.1 3473.7 (1,533.4) NOx and SO2 are

a mixture of 2002 (carried forward) and 2005 CEM (created by EPA). CEMs

are reporti
ng nearly

every day for all units. Update d boiler matchi ng is for data from 2002, which is replace d by 2005.
MA Total (483.0) (1,533.4)

MS (28) Choct

aw (019) 28019000 11 CHOCTA

GENERATI

LLP,REDHI

GENERA

1918.0 2847.7 929.7 2005 State data. Confir

med 2 boilers in CEM and only

one matche d

## A-2

state count y plant_id Plant

name Plantlevel annual

tons NOX, V4 Plantlevel annual

tons NOX, V4.1 NOX

DIFFERE NCE : Platfor m V4.1 minus V4 Plantlevel annual

tons SO2, V4 Plantlevel annual

tons SO2, V4.1 SO2

DIFFERE NCE : Platform V4.1 minus V4 Data

Source of data in V4 Comme

nts on update d emissio

ns previou sly.

MS Total 929.7

NY (36) Nassa

u (059) 12820005 53 EFBARRET

POWER STATION 1,227.53 1,078.20 (149.3) 2005 State data.
NY Total (149.3)

SC (45) Beauf

ort (013) 0360- 0006 SANTEE

COOPER HILTONHE 162.09 12.74 (149.3) NOx and SO2 from 2002 NEI

SC (45) Charl

eston (019) 0560- 0244 COGENSO

1,487.10 707.34 (779.8) 2002 NEI carried forward

SC (45) Darlin gton (031) 0820- 0002 PROGRES

ENERGY ROBINSO

STATION

3,092.95 2,855.88 (237.1) 11066.9 11065. 6 (1.3) NOx and

SO2 from 2002 NEI (except other large CEM

source that EPA inserterd for 2005)

SC Total (1,166.2 ) (1.3)

WV (54) Mario

n (049) 54049000 26 AMERICA

BITUMIN

POWERGRANTTO

PLT 8.36 150.84 142.5 2005 State data.

WV Total 142.5 NOx only (

assume state just didn't report NOx)

Total (1,731.5 ) (625.9)

## B-1



# Appendix B: Creation of the modeling file (“ORL p oint file”) parameters from the Boiler MACT ICR unit level emis sions

The following table shows how the ICR unit level Hg emissions were developed into non-EGU (ptnonipm) sector file (ORL format)that was used in SMOKE. We used the annual emissions from 080310 version of Boiler MACT ICR database (A ug 3), provided by Brian Shrager, SPPD.

We created a ಯPOINTIDರ (unit ID) such that the firs t character of the POINTID indicates whether unit(s ) are boilers (B) or process heaters (P), the rest of the ID field was a sequent ial number. revisions to that database prior to development of the ORL file were: 1. the removal of units identified by CAMD as EGU s 2 exclusion of units without NEI_UNIQUE_ID assig nment (sum to 0.177 tons) 3. plantid shortened to 16 characters

ORL fields were populated as provided by the table below.

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position in ORL file (column) ORL

variabl

e
name Description Approach to Populate from Boiler MACT ICR database

A FIPS Five digit FIPS code for state and county (required) Taken from Boiler MACT ICR database – these were a dded based on Facility/county by matching to the NEI

B PLANT

ID Plant Identification Code (15

characters maximum) (required; this is the same as the State Facility Identifier in the NIF) Used "FacilityID" from Boiler MACT database. If ID was too long, then shortened the FacilityID where needed an d added to Boiler MAC T database

C POINT

ID Point Identification Code (15

characters maximum) (required; this is the same as the Emission Unit ID in the NIF) the letter "P" or "B" based on whether the unit is a process heater "P" or boiler "B" concatenated with a number , where the number is a numerical increment assigned to eac h boiler mact record

D STAC

KID Stack Identification Code (15

characters maximum) (recommended; this is the same as the Emissions Release Point ID in the NIF) BOILERMACTICR

E SEGM

ENT DOE Plant ID (15 characters

maximum) (recommended; this is the same as the Process ID in the NIF) BOILERMACTICR

F PLANT Plant Name (40 characters maximum) (recommended) Use "FacilityID" from Boiler MACT database

G SCC Source Classification Code (10 characters maximum) (required) based on XWALK "default_scc_for_boilerMACT_hg.xlsx" which depends on both unit type (boiler or process heater, as defined in the Boiler MACT database in the colum n entitled "Classification" )and the ICR fuel type – see note 1

## B-2

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position in ORL file (column) ORL

variabl

e
name Description Approach to Populate from Boiler MACT ICR database below.

H ERPT

YPE Emissions release point type (2

characters maximum); indicates type of stack (used by SMOKE for ASPEN, ISCST3, AERMOD): 01 = fugitive, 02 = vertical stack, 03 = horizontal stack, 04 = goose neck, 05 = vertical with rain cap, 06 = downward

- facing vent 02

I SRCT

YPE Source type (2 characters

maximum); used by SMOKE indetermining applicable MACTbased controls and for data summaries (required), 01 = major, 02 = Section 112 area source. 03=nonroad source 01

J STKH

GT Stack Height (ft) (required) Use value from Hg NATA inventory unit from same NEI_UNIQUE_ID that has same fuel type. (SO LITTLE H G FROM PROCESS HEATERS – DON’t USE THEM TO MATCH THE TYPE OF UNIT). Use the "nata_nei_scc- tofuel_xwalk.xlsx" -- see Note 2 below . to assign nata and nei inventories a fuel TYPE based on the SCC, and u se the "fuelxwalk_for_tagging_revision1.xls" (first two c olumns of the Primary XWALK tab) (see Note 3 below ) to match ICR unit to a unit in the NEI based on NEI fuel. Onc e there is at least one matching unit, can use to get stack param eters. 2. If no match to Hg inventory, use secondary fuel xwalk. 3. If still no match, then match to CAP inventory unit. 4. if still no match, then use default parameters from the following file:ftp://ftp.epa.gov/EmisInventory/2002finalnei/d ocumentati on/point/augmentation_point/2002nei_stackparameterd efaul t.mdb see item 4 for if there is no SCC match to th at file. See note 4 below. 5. if there are multiple units that match the ICR unit, then choose stack parameters from stack with largest tot al emissions --either across all polls or just pick Hg for nata and CO for NEI.

K STKDI

AM Stack Diameter (ft) (required) same as above

L STKTE

MP Stack Gas Exit Temperature (°F)

(required) same as above

M STKFL

OW Stack Gas Flow Rate (ft3/sec)

(optional; automatically calculated by Smkinven from velocity and diameter if not given in file) leave blank

N STKVE

L Stack Gas Exit Velocity (ft/sec)

(required) same as above

O SIC Standard Industrial Classification Code (recommended) use value based on NEI_UNIQUE_ID. If multiple valu es, then choose the mode

## B-3

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position in ORL file (column) ORL

variabl

e
name Description Approach to Populate from Boiler MACT ICR database

P MACT Maximum Achievable Control Technology Code which identifies a source categories defined by Maximum Achievable Control Technology rules or rules that are done under other programs such as Section 129 standards (6 characters maximum) (optional) 0107

Q NAICS North American Industrial Classification System Code (6 characters maximum) (optional) use value based on NEI_UNIQUE_ID. If multiple valu es, then choose the mode

R CTYP

E Coordinate system type (1

character maximum) (required); U = Universal Transverse Mercator ; L = Latitude/longitude L

S XLOC X location (required), If CTYPE = U, Easting value (meters); If CTYPE = L, Longitude (decimal degrees) same as stack params except if no unit match then u se site avge lat/lon

T YLOC Y location (required), If CTYPE = U, Northing value (meters), If CTYPE = L, Latitude (decimal degrees) same as stack params except if no unit match then u se site avge lat/lon U UTMZ UTM zone (required if CTYPE = U) -9

V POLC

ODE Code representing the pollutant

contained in the inventory (required, can be up to 10 characters) 7439976

W ANN_

EMIS Annual Emissions (tons/year)

(required) emissions are in the boiler MACT database

X AVD_E

MIS Average-day Emissions

(ton s/average day) (optional) Put in a value of

- 9 for this variable

Y CEFF Control Efficiency percentage (give value of 0-100) (recommended, if left blank, SMOKE default is 0) leave blank

Z REFF Rule Effectiveness percentage (give value of 0-100) (recommended, if left blank, SMOKE default is 100) leave blank

AA CPRI Primary Control Equipment Code (not used by SMOKE) leave blank

BB CSEC Secondary Control Equipment Code (not used by SMOKE) leave blank

## B-4

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position in ORL file (column) ORL

variabl

e
name Description Approach to Populate from Boiler MACT ICR database

CC NEI_U

NIQUE _ID Unique ID that ties together HAP

and CAP emissions within a common facility ID, and ties together emissions obtained from multiple data sources (e.g., TRI, State, ESD) which may have different StateFacilityIdentifiers but really belong to a single FACILITY (optional) use value from boiler mact database

DD ORIS_

FACILI TY_C ODE Provides ORIS code at the plant

level (optional) leave blank

EE ORIS_

BOILE R_ID ORIS boiler ID (optional) leave blank

FF IPM_Y

N Y or N single character flag indicating whether the point source belongs in the IPM sector (optional) if in HG inventory, NEI UNIQUE ID is in both, then B, if it is in IPM then Y if nonIPM then blank. If source is i n CAP inventory but NOT Hg inventory then use the same cr iteria but base it on the CAP values

GG DATA_

SOUR CE flag indicating the source of the

data (e.g., state-submitted, toxics release inventory, Clean Air Markets Division, etc.) (optional) the Data source code indicates the emissions estima tion method: BMICR_ET means test was done, BMICR_BSAVmeans used Emission Factor (see Baseline memo in Boiler MACT docket) Since only allowed 10 characters, use BSAV is used if the Hg source field is BaselineAverage

HH STAC

K_DEF AULT_ FLAG flag indicating how NEI defaulted

stack params (optional) if the stack came from Hg or CAP inventory use same value as unit you used. If you used default by SCC then the value is 11111

II LOCA

TION_ DEFA ULT_F LAG flag indicating how NEI defaulted

locations (optional) if the stack came from Hg or CAP inventory use same value as unit you used. If you used siteave th en "DEF_SITEAVG"

JJ YEAR Allows us to see what year was used to represent 2002 emissions (optional) 2008

KK TRIBA

L_CO DE Indicates the particular tribe that

submitted the data (optional) TRIBAL_CODE

LL HORIZ

ONTA L_ARE A_FU GITIVE related to AXLEN, AYLEN which

are optional params for ISCST3/AERMOD (optional) (units are square feet) leave blank

MM RELEA

SE_HE IGHT_ related to optional params for

ISCST3/AERMOD (ARELHT?) (optional) (units are feet) leave blank

## B-5

Remainder of the fields are left blank NOTES 1. Below are the default_scc_for_boilerMACT_hg.xls x: ICR Fuel Category for Unit Default SCC Rationale
Gas 1 (NG Only) 10200601 arbritrarily chosen industrial boiler natl gas

Coal 10200201 arbritrarily chosen industrial boiler coal
Light Liquid 10200501 arbri trarily chosen industrial boiler distillate oil

Gas 1 (Other) 10200701 used refinery gas SCC since Brian Shrager (project lead) said that was Gas 1 (other)

Wet Biomass 10200901 arbritrarily chosen industrial boiler wood: bark
Heavy Liquid 10200401 arb ritrarily chosen industrial boiler: residual oil

Dry Biomass 10200908 chose dry wood since there is no SCC with lumber or sanderdust or hog fuel or other dry biomass examples

Gas 2 10200799 chose scc for process gas - unspecified
Bagasse 10201101 chose scc for bagasse - industrial boilers all size s



### 2. Fuels are provided in the SCC description; ther efore we do not provide the “"nata_nei_scc-tofuel_xwalk.xlsx"” . We do provide, below, a list o f SCCs for which fuels were extracted to use for th e characterizing inventory sources
Source Classification Code 10200101 10200104 10200107 10200117 10200201 102002 02 10200203 10200204 10200205 10200206 10200210 102 00212 10200213 10200217 10200218 10200219 10200221 10200222 10200223 102002 24 10200225 10200226 10200229 10200300 10200301 102 00302 10200303 10200304 10200306 10200307 10200401 10200402 10200403 102004 04 10200405 10200501 10200502 10200503 10200504 102 00505 10200601 10200602 10200603 10200604 10200701 10200704 10200707 102007 10 10200711 10200799 10200802 10200804 10200901 102 00902 10200903 10200904 10200905 10200906 10200907 10200908 10200910 102009 11 10200912 10201001 10201002 10201003 10201101 102 01201 10201202 10201301 10201302 10201303 10201601 10201701 10300101 103001 02 10300103 10300203 10300205 10300206 10300207 103 00208 10300209 10300211 10300214 10300216 10300217 10300218 10300221 103002 22 10300223 10300224 10300225 10300226 10300300 103 00305 10300306 10300307 10300309 10300401 10300402 10300403 10300404 103005 01 10300502 10300503 10300504 10300601 10300602 103 00603 10300701 10300799 10300811 10300901 10300902 10300903 10300908 103009 10 10300911 10300912 10301001 10301002 10301003 103 01201 10301202 10301301 10301302 10301303 10500102 10500105 10500106 105001 10 10500113 10500114 10500202 10500205 10500206 105 00209 10500210 10500213 10500214 2102001000 2102002000 2102004000 2102005000 2102006 000 2102006001 2102006002 2102007000 2102008000 210 2009000 2102010000 2102011000 2102012000 2103001000 2103002000 2103004 000 2103005000 2103006000 2103007000 2103007005 210 3007010 2103008000 2103010000 2103011000 2103011005 2103011010 2199001 000 2199002000 2199003000 2199004000 2199004001 219 9004002 2199005000 2199006000 2199006001 2199006002 2199007000 2199008 000 2199009000 2199010000 2199011000 30190001 30190002 30190003 30190004 30290001 302900 02 30290003 30290005 30390001 30390002 30390003 303 90004 30490001 30490002 30490003 30490004 30590001 30590002 30590003 305900 05 30600101 30600102 30600103 30600104 30600105 306 00106 30600107 30600108 30600111 30600199 30790001 30790002 30790003 308900 01 30890002 30890003 30890004 30990001 30990002 309 90003 31000401 31000402 31000403 31000404 31000405 31000406 31000411 310004 12 31000413 31000414 31000415 31390001 31390002 313 90003 39900501 39900601 39900701 39900711 39900721 39900801 39901001 399016 01 39901701 39990001 39990002 39990003 39990004 101 00101 10100102 10100201 10100202 10100203 10100204 10100205 10100211 101002 12 10100215 10100217 10100218 10100221 10100222 101 00223 10100224 10100225 10100226 10100235 10100237 10100238 10100300 101003 01 10100302 10100303 10100304 10100306 10100316 101 00317 10100318 10100401 10100404 10100405 10100406 10100501 10100504 101005 05 10100601 10100602 10100604 10100701 10100702 101 00703 10100704 10100707 10100711 10100712 10100801 10100818 10100901 101009 02 10100903 10100908 10100910 10100911 10100912 101 01001 10101002 10101003 10101101 10101201 10101202 10101204 10101205 101012 06 10101207 10101208 10101301 10101302 10101304 101 01305 10101306 10101307 10101308 10101601 10101801 10101901 10102001 101020 18


### 3. fuelxwalk_for_tagging_revision1.
SCC fuel category ICR Fuel Category for Unit

Bagasse Bagasse coal Coal Coal

- based Synfuel Heavy Liquid crude oil Heavy Liquid Digester Gas Gas 2

## B-6 Distillate Oil Light Liquid Distillate Oil (Diesel) Light Liquid

gas Gas 2 Gasified Coal Gas 1 (Other) Gasoline Light Liquid Hydrogen Gas 1 (Other)
Keros ene Light Liquid Kerosene/Naphtha (Jet Fuel) Light Liquid Landfill Gas Gas 2 Liquid Waste Heavy Liquid Liquified Petroleum Gas (LPG) Gas 1 (Other)
LPG Gas 1 (Other) Methanol Heavy Liquid Natural Gas Gas 1 (NG Only) oil Light Liquid Other Oil Light Liquid Petroleum Coke Coal
Process Gas Gas 2 propane/butane Gas 1 (Other) Refinery Gas Gas 1 (Other) Residual Oil Heavy Liquid Solid Waste Wet Biomass unknown Gas 1 (NG Only) Waste Coal Coal Waste oil Heavy Liquid Wood Dry Biomass Wood/Bark Was te Wet Biomass 

### 4. Stack parameters for sources without an NEI UNIQ UE ID / fuel type match in existing inventories: As some of the SCCs we needed default stack param eters for were not present in 2002nei_stackparameterdefault.mdb (retrieved from f tp.epa.gov). In these cases, we used default stack parameters for a different SCC instead, an SCC that has the same ICR fuel type (according to nonunique _icr fuel and nei fuel mapping.xls) as the original SCC. Here are the substitutions: 10200908: use default stackparms for SCC=10100902 10200101: use default stackparms for SCC=10200201 10101308: use default stackparms for SCC=10200901 39900701: use default stackparms for SCC=31000415 39900711: use default stackparms for SCC=31000406

## C-1



# Appendix C: Pollutants in the onroad emission sec tors generated from NMIM or MOVES2010

SECTOR /Mobile emissions approach Pollutants Pollutants used in Case

on_noadj / NMIM EVP__10041 (ETHYLBENZ), EXH__100414(ETHYLBENZ), EXH __100425(STYRENE),

EVP__108883(TOLUENE), EXH__108883(TOLUENE), EVP__11 0543(HEXANE), EXH__110543(HEXANE), EXH__120127(ANTHRACEN), EXH__1 23386(PROPIONAL), EXH__129000(PYRENE), EVP__108383 (MXYL as 0.68 of EVP__1330207(XYLS)), E VP__95476 (OXYL as 0.32 of EVP__1330207(XYLS)), EXH__108383 (MXYL as 0.74 of E XH__1330207 (XYLS)), EXH__95476 (OXYL as 0.26 of EXH__1330207(XYLS)), EX H__16065831(CHROMTRI), EXH__1634044(MTBE), EXH__18540299(CHROMHEX), EXH__1 91242(BENZOGHIP), EXH__193395(INDENO123), DESC EXH__200(HG), EXH__2 01(HGIIGAS), EXH__202(PHGI), EXH__205992(BENZOBFLU), EXH__206440 (FLUORANTH), EXH__207089(BENZOKFLU), EXH__208968(ACENAPHTY), EXH__218019(CHRYSENE), EXH__50328(BENZOAPYR), EXH__53703(DIBENZAHA), EVP__540841(TRMEPN224), EXH_ _54084(TRMEPN224), EXH__56553(BENZAANTH), EXH__7439965(MANGANESE),EXH__7440020(NICKEL), EXH__83329(ACENAPENE), EXH__85018(PHENANTHR), EXH__ 86737(FLUORENE), EXH__93(ARSENIC) EXH__200(HG), EXH__201(HGIIGAS), EXH__202(PHGI)



## on_noadj sector/ MOVES

. BRK__PM10, BRK__PM2_5 ,TIR__PM10, TIR__PM2_5 ,EVP__ VOC ,EVP__71432

(benzene), EVP__91203 (naphthalene), EXH__106990 (b utadiene), EXH__107028 (acrolein), EXH__50000 (formaldehyde), EXH__71432, EXH__75070 ( acetaldehyde), EXH__CO, EXH__NH3, EXH__NOX, EXH__SO2, EXH__VOC, EXH__91203 (Naphthalene), PEC POC PNO3 PSO4 PMFINE and PMC (exhaust mode) for onr oad diesel sources All except : EVP__91203 (naphthalene), EXH__106990 (butadiene), EXH__107028(acrolein) EXH__91203 (Naphthalene)



## on_move s_start PM and

on_move s_runpm sectors/ MOVES PEC_72 POC_72 PNO3 PSO4 OTHER PMFINE_72 PMC_72 All except : NAPHTH_72 (all exhaust)

## D-1



# Appendix D: Approach to develop CMAQ PM2.5 specie s from Partially-speciated MOVES2010 EXHAUST PM2.5 fo r the 2005 Platform, version 4.1

Introduction

This document presents the interim approach develop ed by OTAQ and OAQPS to speciate the partially speciated PM2.5 exhaust emissions from MO VES2010. The advantage of using this approach over the approach used for speciating tota l PM2.5 is that it allows the speciated emissions from MOVES; i.e., elemental carbon and pa rticulate sulfate to be retained and only the remainder of the PM2.5 to rely on speciation profil es.

The table below shows the MOVES2010 EXHAUST PM2.5-r elated species and how they relate to the five CMAQ 4.7 model species: PEC, POC, PSO4 , PNO3, and PMFINE

MOVES2010 Pollutant Name shortName Variable name for Equations Relation to CMAQ

model species

Primary Exhaust PM2.5 - Total PM2.5 Total Exh PM25_TOTAL

Primary PM2.5 - Organic Carbon PM2.5 Organic C PM25OM Sum 2 

### of POC

, PNO3 and PMFINE Primary PM2.5 - Elemental Carbon PM2.5 Elem C PM25EC PEC Primary PM2.5 - Sulfate Particulate PM2.5 Sulfate PM25SO4 PSO4



## We need to further disaggregate the MOVES species “ PM25OM” into the CMAQ model species.

MOVES species are related as follows: PM25_TOTAL = PM25EC + PM25OM + PSO4

The five CMAQ species also sum to total PM2.5: PM2.5 = POC+PEC+PNO3+PSO4+PMFINE

The next section discusses the procedure we used wh en using the draft version of MOVES prior to the MOVES2010 release. The issues with this app roach and rational for the changes for MOVES2010 are presented.

Following this explanation, we provide updated the approach, data and assumptions used.

2 

### For draft MOVES, for gasoline sources (in all case s using draft MOVES for the platform including 2005 ai , 2005ak, 2005ap), this MOVES pollutant also included PSO4, since it was the difference of total PM2.5 a nd PEC. With MOVES2010, this species is now the difference between total PM2.5 and the sum of PEC and PSO4.

## D-2

The last section provides the equations used when w hen MOVES is run at 72 F, such as the case when pre-computed MOVES emissions are input into SM OKE, and are adjusted based on gridded hourly temperatures prior to be input into CMAQ.



# Background: Previous Approach Using Draft MOVES

When we received output from the draft version of M OVES for gasoline vehicles (summer 2008), it did not include Primary Exhaust PM2.5 - T otal. MOVES output provided emissions for the following: 1) Primary PM2.5 - Elemental Carbon (PEC) 2) Primary PM2.5 .- Sulfate Particulate (PSO4) 3) The difference between total PM2.5 and PEC, which was labeled “PM25OC”

The total PM2.5 and PEC (from which the MOVES PM25O C was derived) were based on the Kansas City Study; the MOVES PSO4 was based on the fuel sulfur content. In our previous approach, we first subtracted PSO4 from PM25OC prio r to further speciating it into the necessary CMAQ inputs.

When we tried to implement the same approach for dr aft MOVES for diesel vehicles, the PM2.5 Sulfate exceeded the PM25OC. Therefore we chose not to subtract PM2.5 Sulfate. Note that the diesel results did not come from the Kansas City st udy and the actual relationship between PM2.5 Total Exh , PM2.5 Organic C and PEC is not n ecessarily the same as in the Kansas City study.

It should also be noted, that for the gasoline appr oach, the sulfates included in the gasoline-based “PM25OC” would have been specific to Kansas City and very sm all. It is possible that in other parts of the country or that for different years, t he sulfate is much larger and would be inconsistent with the “PM25OC” of the Kansas City study. As a result, it was deci ded at the OTAQ/OAQPS Inventory Coordination Team meeting on 2 5Feb2010, that in the interim we will no longer remove PSO4 mass from MOVES “PM25OC” for neither gasoline nor diesel vehicles.

In addition to the above changes, there were also c hanges to the values used for the speciation approach. Attachment 1 provides the details.

Ultimately, the plan is for MOVES to provide the sp ecies that CMAQ requires (potentially a 6 month timeframe). In the meantime, adjustments wil l continue be made in a post processing step of the MOVES outputs that we describe in this docum ent.



# Approach

## D-3

The MOVES output provides total PM 2.5 

## and three components of PM 2.5 

## : two pre-speciated components of PM2.5 which are: 1) PEC , and 2) PSO4 , and a non-speciated component termed

“ PM25OM

”, which is defined as the difference between total PM 2.5 

## and PEC.

It is important to note that PM25OM is not solely made up of organic matter, but is de fined as the following:

MOVES total PM 2.5 

## = PEC + PM25OM + PSO4 (1)

We can compute the CMAQ PM2.5 species from (1) the MOVES2010 output pollutants: PEC, PSO4 and PM25OM, and (2) the speciation profile for total PM2.5 exhaust. The equations used are presented below.

MOVES total PM 2.5 

## is the sum of the two pre-speciated components of P M2.5 and a remainder term, R

. MOVES total PM 2.5 

## = PEC + PSO4 + R (2)

The remainder term is the provided as a MOVES outpu t

R = PM25OM (3)

The R term includes POM, which consists of POC and the h ydrogen and oxygen atoms attached to the carbon as part of the organic matter, PNO3, soil oxides and metals (also known as “crustal” and called METAL here), ammonium, and wat er, and thus can be also written as:

R = POM + PNO3 + METAL + NH4 + H 2 

## 0 (4)

To correctly calculate the five PM 2.5 

## species needed for CMAQ, we first needed to break out the POC, PNO3, and PMFINE from R . We can use the proportional relationship of know n species to unknown species from the speciation profile. No te that there are different speciation profiles for gasoline vehicles, light duty diesel vehicles a nd heavy duty diesel vehicles. They are provided along with the corresponding data used for these calculations in Table 1. The primary nitrate is computed based on the ratio of nitrate to elemental carbon, i.e., F NO3 

## / F EC 

## and metals component from the ratio of metals to el emental carbon, F METAL 

## / F EC 

## using equations (5) and (6), respectively.

PNO3 = PEC × F NO3 

## / F EC 

## (5)

METAL = PEC× F METAL 

## / F EC 

## (6)
where, F EC 

## = Fraction of elemental carbon in the speciation profile F NO3 

## = Fraction of nitrate in the speciation profile F METAL 

## = Fraction of metals in the speciation profile

## D-4

Table 1 shows the values for the above fractions an d the profiles from which they are to be derived.

Table 1: Values and basis for fractions used to compute PNO 3 and METAL Vehicle Type SCC list Speciation Profile Code and Name 1 

## Profile Percentages

LDDV All SCCs that

begin with: 2230001 2230002 2230003 2230004 2230005 2230006 92042 LDDV Exhaust – Simplified

91017 LDDV Exhaust - Composite

See Note 2 F EC 

### = 57.4805 1203 %

F NO3 

### = 0.23%

F METAL 

### =0.6513%

HDDV All SCCs that

begin with: 223007 92035 HDDV Exhaust – Simplified

3914 Diesel Exhaust

See Note 3 F EC 

### = 77.1241%

F NO3 

### = 0.1141%

F METAL 

### = 

## 0.2757%

LDGV and HDGV All SCCs that

begin with 2201 92050 Onroad Gasoline Exhaust – Simplified

91022 Onroad Gasoline Exhaust -

Composite F EC 

### = 20.80113619%

F NO3 

### = 0.1015%

F METAL 

### = 2.2256%

NOTES 1. The values of F EC 

### and F NO3 

### are the same in the simplified and non-simplified profiles. The value for F METAL 

### was computed from the non-simplified profile as th e sum of percentages of all ions of the metals and metal elements in the pr ofile. 2. Previously (Attachment 1), for LDDV in the draft MO VES approach, we used the value of F NO3 

### and F METAL 

### from the HDDV profile. We changed so that all fra ctions for each species come from the LDDV 

### 3. The value of F METAL 

### for HDDV previously used (Attachment 1 ) was corre cted since it had inadvertently excluded the chloride ion percentage in the HDDV speciation profile.



## Ammonium is based on stoichiometric calculations; t he formula is shown in equation (7).

NH4 = (PNO3/

MW NO3 

## +2 × PSO4/

MW SO4 

## ) × MW

NH4 

## (7)

MW SO4 

## = Molecular weight of sulfate ( 96.0576 )

## D-5

MW NO3 

## = Molecular weight of nitrate ( 62.0049 ) MW NH4 

## = Molecular weight of ammonium ( 18.0383 )

The final component of PMFINE is the non-carbon mas s of organic carbon. To calculate the non-carbon mass, we first needed to compute organic carbon from the remainder term, R

. A key assumption is that POM is a factor of 1.2 gre ater than the mass of primary organic carbon, which is also used in the CMAQ postprocessing softw are at EPA.

POM = 1.2 × POC (8)

Using this assumption and assuming that the H 2 

## 0 is negligible, the equation needed for the calculation of POC is shown in equation (9) below.

POC = 5/6 × ( R – METAL – NH4 – PNO3) (9)

From equation (8), the non-carbon portion of the or ganic carbon matter is 20%, of the POC. By definition, PMFINE is the sum of the non-carbon por tion of the mass, METAL and NH4.

PMFINE = METAL + NH4 + 0.2 × POC (10)

For gasoline mobile sources, the PMC is 8.6% of the PM 2.5 

## mass

Gasoline vehicles only: PMC = 0.086 × (PMFINE + PEC + POC + PSO4 + PNO3 )

For diesel mobile sources, the PMC is 3.09% of the PM 2.5 

## mass

Diesel vehicles only: PMC = 0.0309 × (PMFINE + PEC + POC + PSO4 + PNO 3)

## D-6



# Implementation for when MOVES-based emissions at 72 Fahrenheit are Input into SMOKE 3



## The equations below utilize the following MOVES 201 0 outputs:
PM25OM PM25EC PM25SO4

However, EXH_PM25 can be used for QA

All red-fonted variables are fed into SMOKE All blue-fonted varilables are from MOVES output Table 1 provides the values of the constants (itali cs): FNO3, FEC, FMETAL and R PM10-toPM25 

## -1

The equations are

(1) PEC_72 = PM25EC (2) PSO4 = PM25SO4 (3) PNO3 = PEC_72 × FNO3 / FEC (4) METAL = PEC_72× FMETAL / FEC (5) NH4 = (PNO3/ 62.0049 + 2×PSO4/ 96.0576 ) × 18.0383 (6) POC_72 = 5/6 × ( PM25OM – METAL – NH4 – PNO3) (7) OTHER = METAL+NH4

Temperature adjustments are made to the SMOKE inter mediate files to produce POC and PEC. That program also computes the remainder of the spe cies that are needed prior to the final SMOKE merge using the adjusted POC and PEC an d other intermediate species.. These species are shown in green font.

(8) POC = Look-up-table_Function (Temperature, POC_72 ) (9) PEC = Look-up-table_Function (Temperature, PEC_72 ) See below for lookup table functions Note that OTHER, PNO3 and PSO4 are not temperature- adjusted and come directly from the SMOKE intermediate files (10) PMFINE = OTHER + 0.2 × POC (11) PMC = ( R PM10-to-PM25 

## -1) × (PMFINE + PEC + POC + PSO4 + PNO3 )

3 

### This procedure is only needed for gasoline particu late exhaust emissions. For diesel emissions, we u se the same equations but without the “_72” appended.

## D-7

Table D

- 1. Correction Factors to Adjust 72 F PM OC and EC Emissions for colder temperatures (supplied by Harvey Michaels, OTAQ, 9/ 5/2008)

Year Temperature

(degrees F) Corr ection Factor for Run n ing

Exhaust Correction Factor for Start Exhaust 2005 -20 18.6454 70.7816 2005

- 19 18.0618 67.5797 2005

- 18 17.4965 64.5218 2005 -17 16.9488 61.6025 2005 -16 16.4183 58.8153 2005 -15 15.9045 56.1542 2005 -14 15.4067 53.6136 2005 -13 14.9244 51.1878 2005

- 12 14.4573 48.8719 2005 -11 14.0048 46.6607 2005 -10 13.5665 44.5495 2005 -9 13.1418 42.5339 2005 -8 12.7305 40.6095 2005 -7 12.332 38.7722 2005

- 6 11.9461 37.018 2005 -5 11.5721 35.3431 2005 -4 11.2099 33.744 2005 -3 10.8591 32.2173 2005 -2 10.5192 30.7596 2005 -1 10.1899 29.3679 2005 0 9.87099 28.0392 2005 1 9.56203 26.7706 2005 2 9.26275 25.5594 2005 3 8.97281 24.4029 2005 4 8.69197 23.2988 2005 5 8.41992 22.2447 2005 6 8.15638 21.2382 2005 7 7.90109 20.2773 2005 8 7.65378 19.3599 2005 9 7.41422 18.484 2005 10 7.18216 17.6477 2005 11 6.95736 16.8492 2005 12 6.73959 16.0868 2005 13 6.52865 15.359 2005 14 6.3243 14.6641 2005 15 6.12635 14.0006 2005 16 5.9346 13.3672 2005 17 5.74885 12.7624 2005 18 5.56891 12.1849 2005 19 5.39461 11.6337 2005 20 5.22576 11.1073 2005 21 5.06219 10.6048 2005 22 4.90375 10.125 2005 23 4.75026 9.66683 2005 24 4.60158 9.22946 2005 25 4.45755 8.81189 2005 26 4.31803 8.41321 2005 27 4.18288 8.03256 2005 28 4.05196 7.6691 2005 29 3.92513 7.32215 2005 30 3.80228 6.99088 2005 31 3.68327 6.67456 2005 32 3.56798 6.37257 2005 33 3.4563 6.08424 2005 34 3.34812 5.80897

## D-8

Table D

- 1. Correction Factors to Adjust 72 F PM OC and EC Emissions for colder temperatures (supplied by Harvey Michaels, OTAQ, 9/ 5/2008)
2005 35 3.24333 5.54614 2005 36 3.14181 5.29521 2005 37 3.04347 5.05563 2005 38 2.94821 4.82689 2005 39 2.85593 4.6085 2005 40 2.76655 4.39999 2005 41 2.67995 4.20091 2005 42 2.59607 4.01085 2005 43 2.51481 3.82938 2005 44 2.4361 3.65612 2005 45 2.35985 3.4907 2005 46 2.28599 3.33277 2005 47 2.21444 3.18198 2005 48 2.14513 3.03801 2005 49 2.07799 2.90055 2005 50 2.01295 2.76932 2005 51 1.94994 2.64403 2005 52 1.88891 2.5244 2005 53 1.82979 2.41018 2005 54 1.77252 2.30114 2005 55 1.71704 2.19702 2005 56 1.66329 2.09762 2005 57 1.61123 2.00271 2005 58 1.5608 1.9121 2005 59 1.51195 1.82559 2005 60 1.46463 1.74299 2005 61 1.41878 1.66413 2005 62 1.37438 1.58883 2005 63 1.33136 1.51695 2005 64 1.28969 1.44832 2005 65 1.24932 1.38279 2005 66 1.21022 1.32022 2005 67 1.17234 1.26049 2005 68 1.13564 1.20346 2005 69 1.1001 1.14901 2005 70 1.06567 1.09703 2005 71 1.03231 1.04739 2005 72 1 1

ATTACHMENT 1 

## Fractions of Utilized in Draft MOVES approach and rationale for the changes for MOVES 2010

PNO3 = PEC × FNO3 / FEC METAL = PEC × FMETAL / FEC

Vehicle/ S CC

s FNO3 value and basis FEC value and basis FMETAL value and basis

LDDV : 2230001000 through 2230060334 0.1141%

Based on HDDV speciation profile (92035-simplified, 3914-composite containing all species). 57.4805% Based on LDDV speciation profile (92042 simplified, 91017, composite) 

## 0.2663% based on Value

provided by Catherine Yanca and Joe Somers to OAQPS in email provided 11/6/2009. It was based on the HDDV

## D-9

Vehicle/ SCC

s FNO3 value and basis FEC value and basis FMETAL value and basis

NOTE: Agreed that it is more technically sound to use the LDDV profile for all LDDV fractions. Will change to use LDDV (92042 simplified, 91017, composite) the value is 0.23% 

## profile (3914)

NOTE: Agreed that it is more technically sound to use the LDDV profile for all LDDV fractions. Will change to 

## 0.6513% , that Madeleine computed using LDDV profile 91017 H DDV : 2230071110 through 2230075330 0.1141%

Based on HDDV speciation profile (92035-simplified, 3914-composite containing all species). 77.1241% Based on HDDV speciation profile (92035-simplified, 3914-composite containing all species). 

## 0.2663% based on Value

provided by Catherine Yanca and Joe Somers to OAQPS in email provided 11/6/2009

“ Equations for diesel MOVES speciation use in CMAQ 110609.doc 

## ”

NOTE: Will change to 0.2757% , that Madeleine computed using 3914. The difference is that the chloride ion percent was inadvertently left out of the 0.2663% value LDGV and HDGV 2201001 through 220107 0 .1015%

based on 92050 simplified, 91022-composite 20.80113619% based on 92050 simplified, 91022-composite 2.2256% based on

91022-composite