## A

- 1 

# A PPENDICES

Technical Support Document: Preparation of Emissions Inventor ies

f or the Version 4 .1 , 2005

- based Platform



# Appendix A: Revisions to P TIPM 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 Plant

level

annual

t ons NOX, V4 Plant

level

annual

tons
NOX,

V4.1 NOX

DIFFERE

NCE :

Platfor

m V4.1

minus

V4 Plant

level

annual

tons
SO2, V4 Plant

level

annual

tons
SO2,

V4.1 SO2

DIFFERE

NCE :

Platform

V4.1

minus

V4 Data

Source

of data

in V4 Comments on

updated

emissions

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) Sa n 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

k

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) NO x and

SO2 are

a

mixture

of 2002
(carried
forward)

and

2005

CEM (created
by EPA). CEMs are

reporting nearly every
day for all

units.
Updated

boiler
matching is for

data from
2002, which is
replaced by

2005.

MA

Total (483.0) (1,533.4)

MS (28) Choct

aw (019) 28019000

11 CHOCTA

W GENERATION

LLP,REDHI

LLS GENERA

1918.0 2847.7 929.7 2005

State

data. Confirmed 2

boilers in CEM
and only one

matche d
previously.

MS

## A

- 2

state count

y plant_id Plant

name Plant

level

annual

t ons NOX, V4 Plant

level

annual

tons
NOX,

V4.1 NOX

DIFFERE

NCE :

Platfor

m V4.1

minus

V4 Plant

level

annual

tons
SO2, V4 Plant

level

annual

tons
SO2,

V4.1 SO2

DIFFERE

NCE :

Platform

V4.1

minus

V4 Data

Source

of data

in V4 Comments on

updated

emissions

Total 929.7

NY (36) Nassa

u (059) 12820005

53 EFBARRET

T

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

AD 162.09 12.74 (149 .3) NOx and

SO2

from

2002 NEI

SC (45) Charl

eston (019) 0560

- 0244 COGENSO

UTH

1,487.10 707.34 (779.8) 2002 NEI

carried

forward

SC (45) Darlin

gton (031) 0820

- 0002 PROGRES

S

ENERGY

ROBINSO

N

STATION

3,092.95 2,855.88 (237.1) 11066.9 11065.

6 (1.3) NOx and

SO2

from

2002 NEI (except

other
larg e

CEM

source
that EPA

inserterd

for
2005)

SC

Total (1,166.2
) (1.3)

WV (54) Mario

n (049) 54049000

26 AMERICA

N

BITUMIN

OUS

POWER

GRANTTO

WN

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 point file”) parameters from the Boiler MACT ICR unit level emissions

The following table shows how the ICR unit level Hg emissions were developed i nto 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 (Aug 3), provided by Brian Shrager, SPPD

. R evisions to that database prior to development of the ORL fil e were:

1. Removed units identified by CAMD as EGUs

2 Excluded units without NEI_UNIQUE_ID assignment (sum of 0.177 tons)

3. Shortened plantid to 16 characters

4. C reated a “POINTID” (unit ID) such that the first character of the POINTID indicat es whether unit(s) are boilers (B) or process heaters (P), the rest of the ID field was a sequential

number.

ORL fields were populated as provided by the table below.

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position

in ORL

file (column) ORL

variabl

e

na me Description Approach to Populate from Boiler MACT ICR database

A FIPS Five digit FIPS code for state and county (required) T ake n from Boiler MACT ICR database

– these were added based on Facility/county by matching to the NEI

B PLANT

ID Plant Ident ification Code (15

characters maximum) (required;

this is the same as the State Facility Identifier in the NIF) U se d "FacilityID" from Boiler MACT database. If ID was too long, then shortened the FacilityID where needed and added
to Boiler MACT 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 each 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

maxi mum) (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 column

## B

- 2

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position

in ORL

file (column) ORL

variabl

e

na me Description Approach to Populate from Boiler MACT ICR database entitled "Classification" )and the ICR fuel type

– see note 1

below.

H ERPT

YPE Emissions releas e 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 in determining applicable MACT

based 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 inv entory unit from same NEI_UNIQUE_ID that has same fuel type. (SO LITTLE HG

FROM PROCESS HEATERS

– DON’t USE THEM TO MATCH THE TYPE OF UNIT). Use the "nata_nei_scc

- to

fuel_xwalk.xlsx"

-- see Note 2 below

. to assign nata and

nei inventories a fuel TYP E based on the SCC, and use the "fuelxwalk_for_tagging_revision1.xls" (first two columns of the Primary XWALK tab) ( see Note 3 below ) to match ICR

unit to a unit in the NEI based on NEI fuel. On c e there is at least one matching unit, ca n use to get s tack parameters. 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/doc umentati on/point/augmentation_point/2002nei_stackparameterdefaul

t.mdb see item 4 for if there is no SCC match to that file.

See note 4 below. 5. if there are multiple units that match the ICR unit, then choose stack parameters from stack with largest tota l

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; a utomatically 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 values,

then choose the mode

## B

- 3

FORMAT FOR INVENTORY DATA

- POINT SOURCES

Position

in ORL

file (column) ORL

variabl

e

na me 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 sta ndards (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 values,

then choose the mode

R CTYP

E Coordinate system type (1

cha racter 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 use 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 use 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

(tons/average da y) (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

na me 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 in CAP inventory but NOT Hg inventory then use the same criteria

but base it on the CAP values

GG DATA_

SOUR

CE flag indicating the source of the

dat a (e.g., state

- submitted, toxics release inventory, Clean Air Markets Division, etc.) (optional) the Data source code indicates the emissions estimation

method: BMICR_ET means test was done,

BMICR_BSAVmeans used Emission Factor (see Baseline

memo in Boile r 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 uni t 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 then "DEF_SITE AVG"

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 optio nal 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

Re mainder of the fields are left blank

NOTES

1. Below are the de fault_scc_for_boilerMACT_hg.xlsx:

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 arbritrarily chos en 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 arbritrarily ch osen 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 bag asse

- industrial boilers all sizes

2. Fuels are provided in the SCC description; therefore we do not provide the “"nata_nei_scc

- to

fuel_xwalk.xlsx"” . We do provide, below, a list of SCCs for which fuels were extracted to use for the characterizing in vento ry sources
Source Classification Code

10200101 10200104 10200107 10200117 10200201 10200202 10200203 10200204 10200205 10200206 10200210

10200212 10200213 10200217 10200218 10200219 10200221 10200222 10200223 10200224 10200225 10200226

102002 29 10200300 10200301 10200302 10200303 10200304 10200306 10200307 10200401 10200402 10200403

10200404 10200405 10200501 10200502 10200503 10200504 10200505 10200601 10200602 10200603 10200604

10200701 10200704 10200707 10200710 10200711 10200799 10200802 1 0200804 10200901 10200902 10200903

10200904 10200905 10200906 10200907 10200908 10200910 10200911 10200912 10201001 10201002 10201003

10201101 10201201 10201202 10201301 10201302 10201303 10201601 10201701 10300101 10300102 10300103

10300203 10300205 10300 206 10300207 10300208 10300209 10300211 10300214 10300216 10300217 10300218

10300221 10300222 10300223 10300224 10300225 10300226 10300300 10300305 10300306 10300307 10300309

10300401 10300402 10300403 10300404 10300501 10300502 10300503 10300504 10300601 10300602 10300603

10300701 10300799 10300811 10300901 10300902 10300903 10300908 10300910 10300911 10300912 10301001

10301002 10301003 10301201 10301202 10301301 10301302 10301303 10500102 10500105 10500106 10500110

10500113 10500114 10500202 10500205 1050 0206 10500209 10500210 10500213 10500214

2102001000 2102002000 2102004000 2102005000 2102006000 2102006001 2102006002 2102007000 2102008000

2102009000 2102010000 2102011000 2102012000 2103001000 2103002000 21030 04000 2103005000 2103006000

2103007000 2103007005 2103007010 2103008000 2103010000 2103011000 2103011005 2103011010 2199001000

2199002000 2199003000 2199004000 2199004001 2199004002 2199005000 2199006000 2199006001 2199006002

2199007000 2199008000 21990090 00 2199010000 2199011000

30190001 30190002 30190003 30190004 30290001 30290002 30290003 30290005 30390001 30390002 30390003

30390004 30490001 30490002 30490003 3 0490004 30590001 30590002 30590003 30590005 30600101 30600102

30600103 30600104 30600105 30600106 30600107 30600108 30600111 30600199 30790001 30790002 30790003

30890001 30890002 30890003 30890004 30990001 30990002 30990003 31000401 31000402 31000403 31000 404

31000405 31000406 31000411 31000412 31000413 31000414 31000415 31390001 31390002 31390003 39900501

39900601 39900701 39900711 39900721 39900801 39901001 39901601 39901701 39990001 39990002 39990003

39990004 10100101 10100102 10100201 10100202 10100203 10100204 10100205 10100211 10100212 10100215

## B

- 6

10100217 10100218 10100221 10100222 10100223 10100224 10100225 10100226 10100235 10100237 10100238

10100300 10100301 10100302 10100303 10100304 10100306 10100316 10100317 10100318 10100401 10100404

10100405 1010 0406 10100501 10100504 10100505 10100601 10100602 10100604 10100701 10100702 10100703

10100704 10100707 10100711 10100712 10100801 10100818 10100901 10100902 10100903 10100908 10100910

10100911 10100912 10101001 10101002 10101003 10101101 10101201 10101202 10101204 10101205 10101206

10101207 10101208 10101301 10101302 10101304 10101305 10101306 10101307 10101308 10101601 10101801

10101901 10102001 10102018

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

Distillate Oil Light Liquid
Distillate Oil (Diesel) Light Liquid

gas Gas 2

Gasified Coal Gas 1 (Other)

Gasoline Light Liquid
Hydrogen Gas 1 (Other)

Kerosene Light Li quid
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

Pet roleum 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 Waste Wet Bioma ss

4. Stack parameters for sources without an NEI UNIQUE ID / fuel type match in existing inventories: As some of the SCCs we needed default stack parameters for were not present in 2002nei_stackparameterdefault.mdb (retrieved from ftp.epa.gov). In these c ases, we used default stack parameters for a different SCC instead, an SCC that has the same ICR fuel type (according to nonunique_icr

## B

- 7

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 sector s 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__110543(HEXAN E), EXH__110543(HEXANE), EXH__120127(ANTHRACEN), EXH__123386(PROPIONAL), EXH__129000(PYRENE), EVP__108383 (MXYL as 0.68 of EVP__1330207(XYLS)), EVP__95476 (OXYL as 0.32 of EVP__1330207(XYLS)), EXH__108383 (MXYL as 0.74 of EXH__1330207 (XYLS)), EXH__95476 ( OXYL as 0.26 of EXH__1330207(XYLS)), EXH__16065831(CHROMTRI), EXH__1634044(MTBE), EXH__18540299(CHROMHEX), EXH__191242(BENZOGHIP), EXH__193395(INDENO123), DESC EXH__200(HG), EXH__201(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(HGIIG AS), 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 (butadiene), 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 onroad diesel sources Al l except : EVP__91203 (naphthalene),
EXH__106990 (butadiene), EXH__107028(acr olein)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: Approac h to develop CMAQ PM2.5 species

f rom Partially

- speciated MOVES2010 EXHAUST PM2.5 for the 2005 Platform, version 4.1

Introduction

This document presents the interim approach developed by OTAQ and OAQPS to speciate the partially speciated PM2.5 exhaust emi ssions from MOVES2010. The advantage of using this approach over the approach used for speciating total PM2.5 is that it allows the speciated emissions from MOVES; i.e., elemental carbon and particulate sulfate to be retained and only the

remainder of the PM2.5 to rely on speciation profiles.

The table below shows the MOVES2010 exhaust PM2.5

- related 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 Equati ons 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

- Su lfate Particulate PM2.5 Sulfate PM25SO4 PSO4



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

MOVES s pecies are related as follow s: 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 when using the draft version of MOVES prior to the MOVES2010 release. The issues with this approach and rational e for the changes to

MOVES2010 outputs are presented.

Following this explanation, we describe t he approach, data and assumptions used.

2 

### For draft MOVES, for gasoline sources (in all cases using draft MOVES for the platform including 2005ai , 2005ak, 2005ap), this MOVES pollutant also included PSO4, since it was the difference of total PM2.5 and 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 when MOVES is run at 72 F, such as the case when pre

- computed MOVES emissions are input into SMOKE, and are adjusted ba sed on gridded hourly temperatures prior to be input into CMAQ.



# B ackground : Previous Approach Using Draft MOVES

W hen we received output from the draft version of MOVES for gasoline vehicles (summer 2008), it did not include Primary Exhaust PM2.5

- Total. 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 PM25OC was derived ) were based on the Kansas City Study ; the MOVES PSO4 wa s based on the fuel sulfur content. In our previous approach, we first subtracted PSO4 from PM25OC prior to further speciating it into the necessary CMAQ inputs.

When we tried to implement the same approach for draft MOVES for diesel vehicles, the PM2.5

Sulfate exceeded the PM25OC

. T herefore we chose not to subtract PM2.5 Sulfate. Note that the diesel results did not come from the Kansas City study and the actual relationship bet ween PM2.5 Total Exh aust, PM2.5 Organic Carbon, and PEC is not necessarily the same as in the Kansas City study.

It should also be noted, that for the gasoline approach, the sulfates included in the gasoline

- based

“PM25OC” would have been specific to Kan sas City and very small. It is possible that in other parts of the country or that for different years, the sulfate is much larger and would be

inconsistent with the “PM25OC” of the Kansas City study. As a result, it was decided at the OTAQ/OAQPS Invento ry Coordination Team meeting on F eb ruary 25, 2010

, that in the interim we will no longer remove PSO4 mass from MOVES “PM25OC” for n either gasoline n or diesel vehicles.

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

Ultimately, the plan is for MOVES to provide all of the species that CMAQ requires. In the meantime, adjustments will continue be made in a post processing step of the MOVES outputs

that we descr ibe in this document.

## D

- 3



# Approach for MOVES 2010

MOVES 2010 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

“ PM25O M ”, which is defined as the difference between total PM 2.5 

## and PEC.

It is important to note that PM25O M is not solely made up of organic matter, but is defined 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 PM2.5 and a remainder

term, R

. MOVES total PM 2.5 

## = PEC + PSO4 + R (2)

The remainder term is provided as a MOVES output

R = PM25OM (3)

The R term includes POM, which consists of POC and the hydrogen 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 water, 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 known species to unknown species from the speciation profile. Note 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 elemental 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 and the profiles from which they are to be

derived.

Table 1: Values and basis for fractions used to compute PNO3 and META L

Vehicle Type SCC list Speciation Profile Code and

Name 1 

## Profile Percentages

LDDV All SCCs that

begin with:

2230001

2230002

22300 03

22300 04

22300 05

22300 06 920 42 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 O nroad G asoline 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 co mputed from the non

- simplified profile as the sum of percentages of

all ions of the metals and metal elements in the profile.

2. Previously (Attachment 1) , for LDDV in the draft MOVES approach, we used the value of F NO3 

### and

F METAL 

### from the HDDV profile. We changed so that all fractions for each species come from the

LDDV



### 3. The value of F METAL 

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



## Ammonium is ba sed on stoichiometric calculations; the 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 )

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 mass of organic carbon. To calculate the

non

- carbon mass, we first needed to compute o rganic carbon from the remainder term, R

.

## D

- 5

A key assumption is that POM is a factor of 1.2 greater than th e mass of primary organic carbon, which is also used in the CMAQ postprocessing software 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 organic carbon matter is 20%, of the POC. By
definition, PMFINE is the sum of the non

- carbon portion 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 o nly: PMC = 0.0309 × (PMFINE + PEC + POC + PSO4 + PNO3)

## D

- 6



# Implementation for when MOVES

- based emissions at 72 Fahrenheit are Input into SMOKE 3



## The equations below utilize the following MOVES 2010 outputs:

PM25O M

PM25EC

PM25SO4

However, EXH_PM25 c an 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 (italics): FNO3, FEC, FMETAL and R PM10

- to

PM25 

## - 1

The equations are

(1) PEC _72 = PM25EC (2) PSO4 = P M25SO4 (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 × ( PM25O M

– METAL

– NH4

– PNO3) (7) OTHER = METAL+NH4

A program is used to compute t emperature adjustments are made to the SMOKE

in termediate files to produce POC and PEC. That program also computes the remainder of the species that are needed prior to the final SMOKE merge using the adjusted POC and PEC and other intermediate species. These species are shown in green font.

(8) POC = L ook

- 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 = OT HER + 0.2 × POC (11) PMC = ( R PM10

- to

- PM25 

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

3 

### This procedure is only needed for gasoline particulate exha ust emissions. For diesel emissions, we use the same equations but withou t 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) Correction Factor for Run n ing

Exhaust Correction Factor for S tart 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

200 5

- 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 2 0.2773

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 4.0 5196 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 4.8 2689

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

200 5 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 1.51 195 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 1.1 4901

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 × F

METAL / FEC

Vehicle/ S CC

s FNO3 value and basis FEC value and

basis FMETAL value and basis

LDDV : 2230001000 through

2230060334 Previously used 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) Previously used 0.2663 

## % based

on Value provided by

Catherine Yanca and Joe

Somers (OTAQ) to OAQPS in email provided 11/6/2009. It

## D

- 9

Vehicle/ S CC

s FNO3 value and basis FEC value and

basis FMETAL value and basis

Updated to use LDDV (92042 simplified, 9101 7, composite) the value is

0.23% 

## was based on the HDDV profile (3914)

Updated to use the LDDV profile

for all LDDV fractions. Value change d to 

## 0.6513% , computed using LDDV profile 91017

HDDV : 2230071110 through

2230075330 0.1141%

Based on HDDV speciation profile (92035

- simplified,

3914

- composit e containing all species). 77.1241%

Based on HDDV speciation profile (92035

- simplified,

3914

- composite containing all species). 

## Previously used 0.2663%

based on Value provided by

Catherine Yanca and Joe

Somers (OTAQ) to OAQPS in email provided 11/6/20 09

“ Equations for diesel MOVES speciation use

in CMAQ 110609.doc 

## ”

Recomputed as 0.2757% 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 o n 92050 simplified,

91022

- composite 20.80113619%

based on 92050 simplified,

91022

- composite 2.2256% based on

91022

- composite