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# OAR Box 1808 Prepped by Charmelle Mathews



### Document

Number: 

# 1 ) ll-A-1 1
Docket Number: 

# A-90-0 7

Printed 11/20/200810:28:18AM Sheet 1 of 91P. 2 

### A -90-G O



## EPA-450/4-89-009a 

# USER' S MANUA

L FO ROZIPM- 4 (OZON E ISOPLETH PLOTTING WIT H OPTIONA

L MECHANISMS ) VOLUM E 1

%\ FEB

? 5 W

OFFIC E O F AI

RQUALITY PLANNIN G AND STANDARD S U . S . ENVIRONMENTA L PROTECTIO N AGENC Y RESEARC H TRIANGL E PARK , N C 2771 1 

## JUL Y 198 9P. 3



### DISCLAIME R
Thi s repor t ha s bee nreviewe db y th e Offic e o f Ai r Qualit y Plannin g an

d Standards , U . S . Environmenta l Protectio nAgency , an dapprove dfo r publication . Mentio no f trad e name s o r commercia l product s i s no t intende dt o constitut e endorsemen t o r recommendatio nfo r use .

i IP. 4



### ACKNOWLEDGEMENT S

Th e origina l OZIPM- 4 User' s Manua l wa s prepare db y Drs . Gar y

Whitte nan

d Mik e Ger y

an dMr . Henr y

Hog o o f System s Applications , Inc. , an dserve da s a basi s fo r thi s manual .

mP. 5

PREFAC E

Thi s documen t i s on e o f fiv e relate dt o applicatio no f EKM A an dth e us e o f OZIPM- 4 (Ozon e Isoplet hPlottin g wit hOptiona l Mechanisms) , th e compute r program use db y EKMA . Liste dbelow ar e th e title s o f th e fiv e document s an da brie f descriptio no f each . "Procedure s fo r Applyin g City-specifi c EKMA" , EPA-450/4-89-012 , Jul y 198 9 Describe s th e procedure s fo r usin g th e Empirica l Kineti c Modelin g Approac h(EKMA) . Th e majo r focu s i s o nho w t o develo pneede dinput s fo r OZIPM-4 . Inadditio nthi s documen t describe s ho w t o determin e a contro l targe t onc e OZIPM- 4 ha s bee nrun .

" A P C Base dSystem

fo r Generatin g EKM

A Inpu t Files" , EPA-450/4-88-016 , Novembe r 198 8

- Describe s a program tha t create s EKM

A inpu t file s usin g a men udrive n program . Thi s sofwar e i s onl y availabl e fo r a

nIBM-P C o r compatibl e machine . File s buil t usin g thi s system canb e uploade dt o a mainfram e computer . "User' s Manua l fo r OZIPM- 4 (Ozon e Isoplet hPlottin g wit hOptiona l Mechanisms) - Volume 1" , EPA-450/4-89-009a , Jul y 198 9

- Describe s th e conceptua l basi s behindOZIPM-4 . It describe s th e chemica l mechanism , Carbo nBon d4 , an deac ho f th e option s availabl e i nOZIPM-4 . Format s fo r eac ho f th e option s ar e outline ds o tha t a use r ca ncreat e inpu t file s usin g an

y tex t editor . "User' s Manua l fo r OZIPM- 4 (Ozon e Isoplet hPlottin g wit hOptiona l Mechanisms) - Volume 2 : Compute r Code" , EPA-450/4-89-009b , Jul y 198 9

- Describe s modification s t o th e compute r cod e tha t ar e necessar y i norde r t o us e OZIPM- 4 onvariou s machines . A complet e listin g o f OZIPM- 4 i s als o foundinthi s publication . "Consideratio no f Transporte dOzon e an dPrecursor s an

dThei r Us e i

nEKMA" , EPA-450/4-89-010 , Jul y 198 9

- Recommend s procedure s fo r considerin g transporte dozon e an dprecursor s i nth e desig no f Stat e Implementatio nPlan s t o mee t nationa l ambien t ai r qualit y standard s fo r ozone . A computerize d(PC ) system fo r determinin g whethe r a

nozon e exceedanc e i s du e t o overwhelmin g transpor t i s described . Thi s documen t i s necessary , onl y i f a nare a i s suspecte do f experiencin g overwhelmin g transpor t o f ozon e o r ozon e precursors . i vP. 6



### EKM A ma y b e use di

nsevera l ways : (1 ) a s a mean s fo r helpin g t o focu s mor e resource-intensiv e photochemica l gri dmodelin g analyse s onstrategie s mos t likel y t o b e successfu l i

ndemonstratin g attainment ; (2 ) a s a procedur e t o assis t i nmakin g comparison s betwee nVO C an dNOxcontrols ; (3 ) i nnon-SI P applications , suc ha s i nhelpin g t o mak e nationa l polic y evaluation s assessin g cost/benefit s associate dwit hvariou s alternative s an d(4 ) fo r preparatio no f contro l estimate s consisten t wit hlimitations/provision s identifie di nClea n Ai r Ac t Amendments .



# JP. 7



### TABL E O F CONTENT S Pag e

DISCLAIME Ri i ACKNOWLEDGEMENT S ii i PREFAC E i v FIGURE S , i x TABLE S x 1. 0 OVERVIEW

1 1. 1 BACKGROUNDANDPURPOS E 1 1. 2 SCOP E OF US E ANDLIMITATION S . 3 1. 3 BASI C DEFINITION S . 4 1.3. 1 Kineti c Mechanis m 4 1.3. 2 Precursor s o f Ozon e 5 1.3. 3 Simulatio n. 5 1.3. 4 Ozon e Isoplet hOiagram . * 6 1.3. 5 Reactivit y

6 1.3. 6 Biogeni c Emission s 6 1.3. 7 Defaul t Value s - 

### 6 1.3. 8 Diagram

Poin t 7 1.3. 9 Splin e Interpolatio n9 1. 4 SUMMAR

YOF INPU T DATA

9 1. 5 OUTPU T OPTION S 1 0 2. 0 TECHNICA L DISCUSSION 1 1 2. 1 CONCEPTUAL BASI S FO RTH E OZIPM- 4 MODE L 1 1 2. 2 COMPUTATIONA L PROCEDURE S 1 3 2.2. 1 Data-Preparatio nStep s 1 3 2.2. 2 Determinatio no f Initia l Concentration s 1 4 2.2. 3 Mathematica l Formulatio no f Kinetic s Mode l 1 5 2.2. 4 Descriptio no f Numerica l Integratio n2 3 2. 3 SELECTION

O F SIMULATION S FO

RGENERATION

OF ISOPLET H DIAGRAM S . 2 5P. 8



### 3. 0 DESCRIPTIO N

O F OZIPM- 4 OPTION S 2 6 3. 1 SITE-SPECIFI C OPTION S 2 7 3.1. 1 Plac e an

dDat e 2 7 3.1. 2 Dilutio nRat e 2 9 3.1. 3 Temperatur e 2 9 3.1. 4 Atmospheri c Moistur e 3 0 3.1. 5 Initia l Condition s o f Transporte dSpecie s 3 0 3.1. 6 Simulatio nStartin g an dEndin g Time s 3 1 3.1. 7 Emission s 3 1 3.1.8-Consideratio no f Carbo nMonoxid e 3 2 3.1. 9 Biogeni c Emission s 3 2 3.1.1 0 Reactivit y

o f Initia l Mi xan

dVO C Emission s ..... . 3 4 3. 2 OUTPU T OPTION S 3 4 3.2. 1 Performin g a Singl e Simulatio n(CALC ) . . 3 5 3.2. 2 Calculatin g VO C Contro l Requirement s fo r a Specifi c Cas e (EKMA ) 3 5 3.2. 3 Generatin g a

nIsoplet hDiagram

(ISOP ) 3 9 •3.2. 4 ISOPLET H Optio n3 9 3.2. 5 TITL E Optio n4 1 3.2. 6 PLO T Optio n4 1 3.2. 7 SPECIE S Option * ' . . 4 2 3.2. 8 ACCURAC YOptio n4 2 3.2. 9 ALREAD YOptio n4 3 4. 0 USIN

GTH E CBM- 4 I

N OZIPM- 4 '."*... . 4 4 4. 1 DEFAUL T CBM- 4 MECHANIS M 4 5 4. 2 DEFAUL T PHOTOLYSI S RAT E CONSTANT S ... . 4 6 4. 3 OEFAUL T VOC ANDNMO C REACTIVITIE S 4 7 4. 4 SELECTINGA

USER-SPECIFIE DORGANI C REACTIVIT Y5 1 5. 0 USER' S GUID E 6 0 5. 1 FORMAT OF INPU T DATA 6 0 5. 2 PROGRAM-GENERATE DERRORMESSAGE S 6 2 5.2. 1 Fata l Erro r Message s 6 3 5.2. 2 Nonfata l Erro r Message s 6 4 5. 3 COMPUTE RCONSIDERATION S .... . 6 4 5.3. 1 Languag e Consideration s 6 4 5.3. 2 Us e o f CALCOM P Routine s 6 6

V I 1P. 9



### 6. 0 EXAMPL E OZIPM- 4 RUN S 9 2 6. 1 0ZIPM-4/CB- 4 TES T CAS E 9 2 6. 2 PREDICTIO N

O F PEA KOZON E 9 4 6. 3 PERFORMINGA

N EKM A CALCULATIO N

9 4 6. 4 GENERATINGA

BAS E CAS E DIAGRA

M WIT H TH E ISO P OPTIO N 9 4 6. 5 GENERATIO N

OF FUTUR E CAS E DIAGRA M WIT H TH E ISO P OPTIO N ... . 9 7 REFERENCE S 10 0 APPENDI XA

A- 1 APPENDI XB B- 1 APPENDI XC . C- 1 APPENDI XDD- 1 APPENDI XE E- l APPENDI XF F- 1 APPENDI XGG- 1

v i nP.1 0



### FIGURE S

Numbe r £ig e 1 0ZIPM 4 Exampl e Isoplet hRu n8 2 Characteristi c Curv e 2 1 3 Futur e Ozon e Transpor t a s a Functio no f Presen t Transport.. . 3 8 4 Schemati c o f 0ZIPM 4 System 6 1

### TABLE S

Numbe r Pig s 1 Carbo nNumber s o f Carbo nBondGroups fo r Primar y Specie s 4 5 2 Multiplicatio nFactor s fo r CMB- 4 Photolysi s Reaction s 4 8 3 N0 2 

### Photolysi s Rat e Constant s Store di n0ZIPM 4 4 9 4 Photolysi s Reactio nRat e Ratios Store di n0ZIMPM 4 5 0 5 Defaul t NMO C Fraction s Use di n0ZIMP 4 5 2 6 Reactivit y

o f Initia l Mi xan

dVO C Emission s 5 3 7 Carbo nBondSplits fo r Lo s Angele s Ambien t Measurement s 5 5 8 Inpu t Forma t fo r 0ZIPM 4 Option s 6 7 9 File s Use db

y 0ZIPM 4 9 1 1 0 Inpu t Dat a fo r Benchmar kRun'•. 9 3 1 1 Exampl e Input s fo r Predictin g Pea kOzon e 9 5 1 2 Exampl e Input s fo r Usin g the EKM A Optio n9 6 1 3 Exampl e Input s fo r Generatin g a Base-Cas e Isoplet hDiagram

9 8 1 4 Exampl e Input s fo r Generatin g a Futur e Cas e Isoplet hDiagram

9 9P.1 2



### 1. 0 OVERVIEW 1. 1 BACKGROUN DANDPURPOS E Thi s repor t describe s th e OZIPM- 4 mode l including system structures , compute r code , inpu t files , informatio nneede dt o buil dth e inpu t file s an d outpu t options . EKM A wa s develope da s a procedur e fo r relatin g concentration s o f photochemicall y

forme dozon e t o level s o f organi c compound s an doxide s o f nitroge n(EPA , 1977) ; it utilizes a se t o f ozon e isopleth s tha t depic t maximu m afternoo nconcentration s o f ozon e a s a functio no f the followin g parameters :

Mornin g concentration s o f nonmethan e organi c compound s (NMOC) , oxide s o f nitroge n(N0 X 

### ) , an

dcarbo nmonoxid e (CO) ; Fres hemission s o f volatil e organi c compound s (VOC's) , NO x 

### , an dC O occurrin g durin g th e day ; Transpor t o f pollutant s fro m upwindsources ; Meteorologica l conditions ; Reactivit y

o f th e NMO C mix ; an

d Biogeni c emissions . Th e isopleth s ar e develope dthroug hcompute r simulation s o f atmospheri c photochemica l reaction s usin g variou s assume dlevel s o f NMO C an dN0 X 

### concentrations . Fres hemission s o f VOC' s an dN0 X

### ar e als o varie dproportionall y wit hth e initia l NMO C an dN0 X

### levels . Th e ozon e isopleth s ar e the nplotte da s
a nexplici t functio no f initia l precurso r concentration s an da nimplici t functio n
o f emissions , initia l C O concentrations , meteorology , transport , reactivit y o f th e NMO C mi xan

dbiogeni c emissions . Th e isopleth s ar e use dt o comput e th e percen t reductio ni

nNMO C tha t i s neede dt o lowe r pea kozon e t o th e concentratio nP.1 3



### (0.1 2 ppm ) specifie di nth e nationa l ambien t ai r quality standar d(NAAQS ) fo r
ozone . A compute r program

wa s develope dt o readil y generat e th e ozon e isopleth s fo r EKM A users . Thi s program i s calle dth e Ozon e Isoplet hPlottin g Packag e (OZIPP) . Detaile ddocumentatio no f EKM A an dOZIP P i s give ni

nEPA (1977) ; Whitte nan

dHogo , (1978a) ; EP

A (1981) ; EPA

(1984) ; an

dHog o an

dWhitten , (1985) . Sinc e it s origin , mor e sophisticate dversion s o f th e OZIP P mode l hav e bee n developed . Thes e model s are :

OZIPM--Versio nl-- a compute r routin e wit hth e capabilit y o f handlin g differen t chemica l kinetic s mechanism s (Whitte nan dHogo , 1978b) . 0ZIPM--Versio n2--thi s versio no f OZIP M contain s som

e cod e modification s t o the origina l versio ns o tha t it canb e use deasil y o ndifferen t compute r systems . Thi s versio nals o ha s th e capabilit y o f calculatin g th e neede dpercen t reductio ni nNMO C withou t firs t generatin g a n isoplet h(Gipson , 1984) . 0ZIPM--Versio n3-- a new mechanism , calle dth e CBM-X , whic hwa s recentl y develope dan

dteste dagains t aut o exhaus t smo g chambe r data , ha s bee n incorporate dint o thi s version . Th e result s o f tha t wor kar e describe d i nWhitte ne t al . (1985) . 0ZIPM--Versio n4--th e curren t versio ni s a nupdat e t o 0ZIPM3 . Thi s versio nrequire s les s compute r memor y an dcontain s som

e interna l cod e modification s t o correc t compute r error s associate dwit h0ZIPM3 . Th e defaul t chemica l mechanis m i s CBM-4 , a condense dversio no f CBM- X (Whitte nan

dGery , 1986) . OZIPM- 4 i s th e softwar e currentl y applie di

nregulator y

application s o f EKMA . Volume 1 serve s a s th e User' s Manua l fo r OZIPM-4 . Sectio n2 o f thi s volume contain s a

noveral l technica l descriptio no f ho w OZIPM- 4 operates . Sectio n3 present s a detaile ddescriptio no f th e differen t inpu t an doutpu t option s availabl e fo r application s o f OZIPM-4 . Sectio n4 provide s informatio no nho w t o selec t inpu t option s whe nusin g th e CBM- 4 chemica l mechanis m store di

n0ZIPM 4 . Sectio n5 contain s a summary o f th e option s discusse di nSection s 3 an

d4 an dP.1 4

serve s a s a quic k referenc e guid e fo r th e user . User s intereste d onl yin runnin g th e progra mca n ski p t o thi s section
. Sectio n 6 contain s example s o f mode l runs . Thes e example s demonstrat e th e us e and flexibi l it yo f OZIPM-4
. Volum e 2 contain s th e compute r cod e listin g o f OZIPM-4 . Muc h o f th e discussio n o f concept s and mode l applicabilit yin th e origina l OZIP P manua l applie s t o OZIPM-4
. However , i n Volum e 1 , w e repea t som e o f thi s informatio n fo r th e sak e o f convenience
. 1. 2 SCOP E O F US E AN D LIMITATION S

Th e OZIPM- 4 i s limite d in applicabilit yt o ozon e problem s within , o r immediatel ydownwin d of , larg e urba n areas , and thu s shoul d no t b e applie d t o th e followin g situation s unles s specia l attentio n i s give n t o existin g 1 imitation s
an d assumptions :

Th e rura l ozon e problem ; Situation s in whic h transporte d ozon e and/o r precursor s ar e clearl y dominan t (i.e. , multi-da ytranspor t situations) ; Case s in whic h th e maximu mozon e concentratio n occur s a t nigh t o r in th e earl ymorning ; and Developmen t o f contro l strategie s fo r singl e o r smal l group s o f emissio n sources . Th e validit yo f an ozon e isoplet h diagra mgenerate d byOZIPM- 4 fo r a particula r cit yma yb e affecte d byth e followin g considerations :

Th e kineti c mechanis muse d t o describ e th e transformation s o f NMO C and NO x ; Th e physica l assumption s use d t o formulat e th e trajector ymode l code d int o OZIPM-4 ; Th e meteorologica l dat a and assumption s use d t o specif yth e parameter s require d t o appl yOZIPM-4 ; Th e availabilit yand reliabilit yo f curren t ozon e data , precurso r concentratio n data , and th e VOC , N0 X , and C O emissio n inventorie s includin g biogeni c emissions ;P.1 5



### Th e mathematica l assumption s neede dt o integrat e th e differentia l equation s formulate dwithi nOZIPM-4 ; an d Th e interpolation s neede dt o generat e isopleth s fro m th e result s o f a numbe r o f compute r simulations . Becaus e thes e consideration s ar e par t o f th e basi c definition s an dconcept s tha t constitut e OZIPM- 4 an dEKMA , the y

ar e explaine dmor e full y i nth e followin g sections . 1. 3 BASI C DEFINITION S 1.3. 1 Kineti c Mechanis m A kineti c mechanis m

i s a se t o f chemica l reaction s an drat e constant s tha t i s intende dt o describ e som e chemica l process . Using a kineti c mechanism , on e ca nderiv e coupled , first-order , ordinary , nonlinea r differentia l equation s tha t describ e th e rate s o f chang e o f pollutan t concentration s wit htime . Thes e equation s canthe nb e integrate dusing a compute r t o simulat e the changin g pollutan t concentration s i na smo g chambe r o r i

nth e atmosphere . Th e origina l versio no f EKM A (OZIPP ) use da two-hydrocarbon/NO x

### mechanis m t o describ e th e photochemica l formatio no f ozon e (Dodge , 1977) . I ntha t mechanism , propylen e an

dbutan e ar e use da s surrogate s t o represen t the urba nmi xo f emissions . Th e propylene-to-butan e rati o o f 1: 3 i ntha t mechanis m

canno t b e adjuste dt o accoun t fo r th e changin g reactivit y o f the urba nhydrocarbo nmix . Becaus e o f thi s an

dothe r shortcoming s o f th e origina l OZIP P program , many user s indicate dth e nee dfo r a mor e flexibl e chemica l mechanism . Suc ha mechanis m wa s provide db

y Killu s an

dWhitte n(1984 ) wit ha versio n3 o f the carbo nbond mechanis m

(CBM-3) . Recently , a nexpande dversio no f CBM-3 , calle dth e extende d carbo nbondmechanis m

(CBM-X) , wa s developed . Thi s mechanis m wa s incorporate d i n0ZIPM 3 a s th e defaul t chemica l mechanism . Th e CBM- Xwa s consolidate dt o for mP.1 6

th e CBM- 4 (Whitte nan dGery , 1986 ) fo r us e i nregiona l oxidan t models . Comparison s mad e usin g 0ZIPM 3 wit hCBM- Xan dCBM- 4 indicat e clos e agreemen t (Gery , e t al. , 1988) . Therefore , th e les s resource-intensiv e mechanis m (CBM-4 ) ha s bee nselecte d fo r us e i

nOZIPM-4 . Us e o f a mechanis m

sucha s th e carbo nbondmechanis m (CBM-4) i

nOZIPM- 4 instea do f th e Dodg e propylene/butan e mechanis m ha s th e followin g advantages : (1 ) Th e CBM- 4 i s mor e responsiv e t o a wide r rang e o f reactivit y tha ni s th e Dodg e mechanism . (2 ) Reactivit y

i s difficul t t o defin e a s a functio no f propylen e an d butan e i f suchreactivit y i s t o b e relate dt o change s i nth e ambien t mi xo f hydrocarbons . Us e o f th e CBM- 4 i

nOZIPM- 4 instea do f th e CBM- 3 mechanis m ha s th e followin g advantages : (1 ) Th e CBM- 4 i s base do nmor e recen t measurement s o f rat e constants . (2 ) Th e CBM- 4 ha s bee nvalidate dwit hmor e extensiv e smo g chambe r dat a tha nha s th e CBM-3 . (3 ) CBM- 4 correct s error s mad e i ncomputin g photolyti c rate s i nCBM-3 . 1.3. 2 Precursor s o f Ozon e Precursor s o f ozon e ar e th e chemica l specie s tha t reac t t o for m ozone . Th e primar y

precursor s ar e organi c compound s an doxide s o f nitroge n(N0 X ) . Th e EPA guideline s (EPA , 1981 ) o nth e us e o f city-specifi c EKM A contai ntwo definition s o f organi c compounds . Th e firs t definition , terme d"VOC " o r volatil e organi c compounds , represent s the su m o f th e reactiv e organi c emission s include d i nemissio ninventories . Th e seconddefinition , terme d"NMOC " o r nonmethan e organi c compounds , represent s ambien t measurement s o f al l organi c compound s othe r wil l b e terme d"NMOC. " NO x , a s use di nthi s report , signifie s th e su m o f th e concentration s o f nitri c oxid e (NO ) an dnitroge ndioxid e (NO2) .P.1 7

1.3. 3 Simulatio n A compute r simulatio ninvolve s th e calculatio no f th e concentration s
o f pollutant s foundi nth e kineti c mechanis m a s a functio no f time . Concentration s
ar e calculate da t variou s time s specifie db y th e user . Th e calculation s involv e th e integratio no f a se t o f coupled , first-order , non l inear , ordinar y differentia l equation s define dby

th e kineti c mechanis m tha t describ e the chemica l an dphysica l processe s underlyin g th e model . User-specifie dassumption s abou t initia l precurso r concentrations , emissio npatterns , dilution , transporte dpollutants , reactivity , an

dligh t intensit y

ar e incorporate di

neac hsimulation . 1.3. 4 Ozon e Isoolet hDiagram A nozon e isoplet hdiagram , a s generate dby OZIPM-4 , i s illustrate di n Figur e 1 . Eac hcurve dlin e i nth e diagram

represent s a constant , maximum , 1 - hou r averag e ozon e concentration . Thus , th e NMO C an dNO xcoordinate s associate d wit han y poin t o

na single , curve dlin e produc e th e same maximum concentratio n
o f ozone . InOZIPM-4 , 12 1 simulation s ar e normall y performe dt o produc e suc h

a diagram . 1.3. 5 Reactivit y Thi s i s a propert y

o f th e precursor s tha t govern s th e rat e an dexten t

o f ozon e production . I nregulator y

application s o f OZIPM-4 , reactivit y i s determine db

y th e sequenc e o f reaction s an dreactio nrat e constant s i nCBM- 4 an

d by th e blendo f NMO C specie s whic hth e use r o f OZIPM- 4 specifie s a s input . 1.3. 6 Biogeni c Emission s Vegetatio nemit s hydrocarbons , especiall y durin g th e day . Th e rat e
o f emissio nincrease s significantl y wit hincreasin g temperature . Thes e emission s als o contribut e t o th e formatio no f ozone .P.1 8



### 1.3. 7 Defaul t Value s Certai nparameter s ar e neede dt o ru nOZIPM-4 . Defaul t value s ar e level s o f thes e parameter s assume db y th e compute r program i nth e absenc e o f instructions , by

th e user , t o th e contrary . Suc hinstruction s ar e entere da s inpu t data . Fo r example , th e defaul t valu e fo r th e highes t NMO C use di nthe constructio no f a

nisoplet hdiagram

i s 2. 0 ppmC . I f n o numbe r i s entere di n th e inpu t dat a fo r thi s parameter , OZIPM- 4 wil l us e 2. 0 b y default . 1.3. 8 Diagram

Poin t An y poin t o

na nozon e isoplet hdiagram generate db

y OZIPM- 4 i s associate dwit hthre e parameters : initia l NMO C an dNO x

### precurso r concentrations , an da maximu

m 1-hou r averag e ozon e concentratio ncorrespondin g t o th e initia l NMO C an dN0 X

### concentrations . A se t o f thes e thre e parameter s i s terme da diagram point . Th e ozon e concentration s a t some diagram point s ar e determine dfrom actua l compute r simulation s (i.e. , b y integratin g th e se t o f differentia l equations) . Th e ozon e concentration s a t othe r diagram point s ar e interpolate dfro m th e simulate ddiagram

points .P.1 9

c r

a t o

x : a . a

O
frl'O 21* 0 01* 0 90* 0 90* 0 fr0*0 20' 0 (Wdd l XO

N 00-0 °P.2 0

1.3. 9 Solin e Interpolatio n Splin e interpolatio ni s use dt o determin e th e ozon e concentration s betwee ndiagra m

point s fo r whic hozon e concentration s hav e bee ncalculate dby compute r simulations . (Interpolatio ni s use dt o reduc e th e numbe r o f compute r simulation s necessar y t o construc t a

nisoplet hdiagram

an dhenc e t o reduc e th e
cos t o f runnin g OZIPM-4. ) A splin e functio ni s simila r t o a wir e constraine d t o touc hcertai npoints . I f th e wir e i s pulle dtaut* , i t wil l benda t eac hpoint , bu t wil l b e straigh t betwee npoints . I f th e tensio ni s reduced , th e wir e wil l provid e a smoot hcurv e tha t touche s th e points . Th e hyperboli c splin e function s
use dt o interpolat e betwee ncalculate ddiagra m point s i

nOZIPM- 4 hav e a

n adjustabl e tensio nfacto r analogou s t o th e tensio no na wire . Interpolation s
ar e performe dinternall y by OZIPM-4 , an

dusuall y

ther e i s no nee dfo r th e use r t o b e directl y

concerne dwit hth e splin e functions . 1. 4 SUMMARYO F INPU T DAT A Inpu t parameter s tha t ca nb e specifie db y th e use r whe nperformin g a n OZIPM- 4 calculatio ninclude :

Latitude ; Longitude ; Tim e zone ; Date ; Mornin g an

dafternoo nmixin g height s (als o calle dmixin g depths) ; Hourl y temperatur e variation ; Th e simulatio nstar t an dsto ptimes ; Initia l C O concentration ;P.2 1

Concentration s o f NMOC , NO, , CO , ozone , an dupt o te nothe r specie s i nth e ai r abov e th e mixe dlaye r du e t o transpor t alof t (not e tha t thes e canno t be varie di ntime) ; Concentration s o f NMOC , NO, , CO , ozone , an dupt o te nothe r chemica l species ' transporte di nth e surfac e layer ; VOC , CO , an

dNO , emission s a t eac hhour ; Organi c reactivit y

Thre e reactivitie s canb e specified : background , initial , an

daloft . However , eac htyp e o f reactivit y i s fixe di

ntime fo r eac hdiagram

poin t an

da t ever y

poin t o

nth e diagram ; an

dNO , reactivit y

(initia l fractio no f NO , tha t i s N0 Z . ) Biogeni c emissio nrate s an dspeciation ; an

d Hourl y atmospheri c moistur e estimates . 1. 5 OUTPU T OPTION S Th e majo r functio no f OZIPM- 4 i s t o calculat e estimate dNMO C reduction s neede dt o achiev e th e ozon e ai r qualit y standard . Th e outpu t depend s onth e optio nselecte db

y th e user . Thre e type s o f outpu t ca nbe requested : (1 ) Estimat e ozon e concentration s a s a functio no f time fo r a singl e se t o f precurso r condition s (CAL C routine) . (2 ) Comput e VO C emissio nreductio nneede dfo r a particula r cas e withou t generatin g a

n0 3 isoplet h(EKM

A routine) . (3 ) Generat e a

n0 3 isoplet hdiagram (ISOPLET H routine) .



### 1 0P.2 2

2. 0 TECHNICA L DISCUSSIO N Th e OZIPM- 4 i s a trajectory-typ e mode l designe d t o simulat e ozon e formatio n i n urba n atmospheres
. Th e mode l consist s o f tw o distinc t parts : th e firs t par t combine s meteorologica l assumption s wit h a chemica l kineti c mechanis mt o mathematicallysimulat e physica l and chemica l processe s takin g plac e in th e atmosphere
. Th e secon d par t use s th e simulatio n result s t o calculat e effect s
o f a contro l strateg yfo r a specifi c tes t cas e o r t o construc t an ozon e isoplet h diagram
. Thi s chapte r describe s th e conceptua l basi s fo r th e kinetic s mode l and th e mathematica l technique s use d in performin g a simulation
. 2. 1 CONCEPTUA L 3ASI S FOR TH E OZIPM- 4 MODE L I n th e OZIPM- 4 model , a column o f ai r containin g ozon e and precursor s i s transporte d alon g an assume d straightlin e trajectory
. Th e trajector yi s define d

s o tha t th e simulate d column o f ai r bein g modele d i s positione d ove r th e cente r
o f th e cit ya t 8 a.m . and arrive s a t th e sit e observin g th e dail ymaximu m0 3 concentratio n a t th e tim e o f th e observe d maximum
. A s th e column moves , i t encounter s fres h precurso r emission s tha t ar e mixe d uniforml ywithi n th e column
. Th e column i s assume d t o exten d fro mth e earth' s surfac e throug h th e mixe d layer
. Th e assume d horizonta l dimension s o f thi s colum n ar e suc h tha t th e concentratio n gradient s ar e smal l enoug h t o mak e th e horizonta l exchang e o f ai r betwee n th e column an d it s surrounding s insignificant
. Th e ai r withi n th e colum n i s assume d t o b e uniforml ymixe d a t al l times
. A t th e beginnin g o f a simulation , th e column i s assume d t o contai n som e specifie d initia l concentration s o f NMOC , NO, , and CO
. A s th e column move s alon g th e assume d trajectory , th e heigh t o f th e column ca n chang e becaus e o f variation s i n mixin g height ; i t i s assume d t o chang e wit h tim e durin g a user selecte d perio d (fo r example , 8 a.m . - 3. p m,) ; and t o b e constan t befor e and
1 1P.2 3

afte r tha t period . A s th e heigh t o f th e colum nincreases , it s volume increases ,
an dai r abov e from

th e inversio nlaye r i s mixe din . Pollutant s abov e th e mixe d laye r ar e describe da s "transporte dabov e th e surfac e layer " o r "transporte d aloft. " Any

ozon e o r ozon e precursor s abov e th e mixe dlaye r tha t ar e mixe dint o th e colum

na s i t expand s ar e assume dt o b e rapidl y mixe dthroughou t th e column . Concentration s o f NMO C species , NO , N0 2 , CO , an dOj , withi nth e colum nar e physicall y

decrease db

y dilutio ndu e t o th e ris e i nmixin g height , an

dphysicall y increase dbot hb

y entrainmen t o f pollutant s transporte dalof t an db y fres h emissions . Al l specie s reac t chemicall y accordin g t o th e kineti c mechanis m selecte d(i.e. , CBM-4) . Certai nphotolysi s rate s withi ntha t mechanis m ar e function s o f th e intensit y an dspectra l distributio no f sunlight , an dthe y var y diurnall y

accordin g t o time o f yea r an dlocation . Th e followin g assumption s andspecification s describ e th e OZIPM- 4 trajector y model : Th e ai r mas s o f interes t i s animaginar y ai r parce l (column ) o f fixe d horizonta l are a a t a diurnall y varyin g bu t internall y uniform temperature , withi nwhic hpollutant s ar e wel l mixed . Th e regio no f th e atmospher e containin g th e imaginar y colum ni s sufficientl y

homogeneou s tha t horizonta l diffusio ndoe s no t affec t pollutan t concentration s withi nth e column . Th e heigh t o f th e colum nvarie s wit htime a s specifie dby th e user . Th e colum

ncontain s specifie dinitia l concentration s o f NMOC , NO, , an dC O a t th e simulatio nstartin g time . Pollutant s transporte dwithi nthe surfac e laye r fro m outsid e the are a o f interes t ma y

b e presen t i

nth e colum

na t the star t o f eac h simulation . Th e pollutan t concentration s du e t o transpor t i nthe surfac e laye r ar e normall y assume dt o b e zero , bu t th e use r ma y specif y othe r value s fo r th e NMOC , NO, , CO , an dozon e concentra - tion s transporte dwithi nthi s layer . Th e change s i

npollutan t concentration s withi nth e colum nar e calculate d by compute r simulatio nfo r a user-specifie dperiod .


### 1 2P.2 4

Entrainmen t o f pollutant s transporte d alof t i s possibl e durin g th e ris e o f th e mixe d layer
. OZIPM- 4 permit s entrainmen t o f NMOC , NO, , CO , ozone , and a 1 imite d numbe r o f othe r species , bu t th e concentration s i n th e laye r alof t canno t b e varie d in time
. Pollutant s emitte d int o th e colum n afte r th e startin g tim e ca n b e represente d byspecifyin g addition s o f VOC , NO, , and C O durin g eac h hour
. Zer o clou d cove r i s assumed
. 2. 2 COMPUTATIONA L PROCEDURE S This

- sectio n present s a detaile d descriptio n o f th e mathematica l procedure s
use d in OZIP M t o calculat e th e maximu m1-hou r averag e ozon e concentratio n tha t result s fro ma give n se t o f initia l concentration s o f NMOC , NO, , and CO , fres h emissions , transport , and meteorologica l assumptions
. Thes e procedure s ar e base d

o n th e physica l and chemica l processe s describe d in th e las t section
. Befor e th e beginnin g o f a simulation , data-preparatio n step s ar e performe d b yth e program . Asimulatio n i s conducte d byfirs t determinin g concentration s a t th e startin g tim e an d the n numericall yintegratin g th e equation s tha t for mth e basi s
o f th e chemica l kinetic s mode l include d in OZIPM-4
. Th e numerica l solutio n yield s specie s concentration s a s a functio n o f tim e continuousl ythroughou t th e simulatio n period
. Th e followin g discussio n describe s th e data-preparatio n steps , calculatio n o f initia l concentrations , mode l formulation , and th e numerica l integratio n techniqu e used
. 2.2. 1 Data-Preparatio n Steo s Th e OZIPM- 4 progra mperform s a data-preparatio n ste p befor e th e firs t simulatio n begins
. Th e purpos e o f thi s ste p i s t o eliminat e abrup t change s in photolyti c rat e constant s and emissio n rates . E l iminatio n o f thes e abrup t change s (i.e. , discontinuities ) i s desirabl e fo r thre e reasons : (1 ) Th e integratio n schem e require s les s compute r tim e (discontinuitie s requir e th e us e o f smal l tim e steps)
. 1 3P.2 5

(2 ) Th e result s ar e mor e accurat e numericall y (steppin g pas t discontinuitie s ca nlea dt o errors) . (3 ) Th e atmospher e doe s no t normall y hav e discontinuities . (The simulatio n o f intermitten t cloudcove r o r sudde nchange s i nemission s i s outsid e th e scop e o f OZIPM) . Th e rat e constan t fo r NO , photolysi s depend s onth e sun' s zenit hangle ' an d i s evaluate dever y

hou r usin g analgorith m develope db

y Scher e an

dDemerjia n (1977) . Th e algorith m use s latitude , longitude , time zone , an ddat e a s inpu t dat a t o calculat e photolyti c constants . A se t o f third-orde r polynomia l splin e function s i s the ngenerate ds o tha t th e photolyti c constan t fo r NO , ca nb e easil y calculate dfro

m a smoot hcurv e fo r an y time o f th e day . Fo r a give nzenit hangle , al l othe r photolysi s constant s usedi nOZIPM- 4 ar e estimate da s describe dby Jeffrie s an

dSexto n(1987) . Emissio nrate s ar e expresse da s emissio ndensitie s fo r eac hhour . Th e emissio nrate s ar e converte dt o continuousfunction s fo r us e i nsolvin g th e differentia l equation s throug ha histogram-fittin g algorith m describe db

y Jeffries , Sexton , an dSalm i (1981) . 2.2. 2 Determinatio no f Initia l Concentration s Befor e a simulatio nca nbegin , th e concentration s o f al l pollutan t specie s a t th e startin g time mus t b e determine dby th e program . Thes e concentration s ar e derive dfro m th e initia l concentration s o f NMO C an dNO , tha t

ar e specifie db

y th e user . Th e concentration s o f transporte dpollutant s ar e
assume dt o b e zer o unles s otherwis e specifie db y th e TRANSPOR T optio n(se e Sectio n3) . Th e initia l C O concentratio ni s assume dt o b e 1. 2 pp m unles s otherwis e specifie db y th e CREDI T option .

'Zenithangl e i s the angl e betwee nth e sun' s positio nan dvertica l 1 4P.2 6

Initia l concentration s o f biogeni c specie s shoul db e se t t o some smal l valu e (i.e. , 0.000 1 ppmC) . Th e concentration s o f th e nonzer o specie s ar e determine db y th e program inth e followin g manner : (1 ) NO , i s se t t o th e initia l NO , concentratio nmultiplie db y th e NO,/NO , fractio n(defaul t i s 0.25) . (2 ) N O i s se t t o th e initia l NO , concentratio nmultiplie db y th e quantit y on e minu s th e N0 ? /N0 , fraction . (3 ) 0 , i s se t t o th e concentratio ntransporte di nth e surfac e laye r o r t o th e backgroun dvalue , whicheve r i s large r (defaul t i s zero) . (4 ) Th e concentration s o f th e organi c specie s ar e determine dfrom th e assume dinitia l NMO C concentratio nan dth e assume dreactivit y fraction . Mathematically ,

[organic] , = [NMOC ] (R,)/C , (2-1 ) wher e

.

_ [organic] i • i-thorgani c specie s i npp m ~ [NMOC ] • initia l NMO C concentration , ppmC--" " R , = carbo nfractio no f initia l NMO C tha t i s specie s i C , * numbe r o f carbo natom s i nspecie s i 2.2. 3 Mathematica l Formulatio no f Kinetic s Mode l Th e kinetic s mode l i nOZIPM- 4 mathematicall y simulate s physica l an d chemica l processe s takin g plac e i nth e atmosphere . Thi s simulatio ni s accomplishe db

y numericall y

integratin g a system o f ordinar y

differentia l equation s tha t describ e th e effect s o f thes e processe s onpollutan t concentrations . Th e resul t give s th e concentratio no f pollutant s a s a functio n
o f time . Th e mathematica l formulatio no f th e system o f differentia l equation s i s describe dnext .



### 1 5P.2 7

InOZIPM-4 , fou r processe s ar e assume dt o affec t change s i npollutan t concentration s using a specifi c time increment : (1 ) Chemica l reactions ; (2 ) Dilution ; (3 ) Entrainmen t o f pollutant s transporte daloft ; an d (4 ) Emissions . Differentia l equation s ar e use dt o describ e th e time rat e o f chang e o f pollutan t concentration s du e t o eac hprocess . Th e tota l time rat e o f chang e o f

eac hpollutan t concentratio ni s the nsimpl y equa l t o th e su

m o f al l thes e effects . Thus , the syste

m o f equation s consist s o f on e differentia l equatio nfo r each specie s i

nth e kineti c mechanism . Th e fou r processe s ar e describe dnext . Chemica l Reactio nEffects- - Th e chang e i

npollutan t concentratio ndu e t o chemica l reactio ni s a functio n
o f th e rate s o f th e chemica l reactions . Th e rat e o f eac hreactio ni s th e produc t

o f a rateconstan t an da concentratio nterm . Photolyti c rat e constant s ar e calculate dusing procedure s describe db y Jeffrie s an

dSexto n(1987) . Thes e procedure s wil l be briefl y summariie dlater . Th e concentratio nter m fo r unimolecula r o r pseudo-first-orde r reaction s (sucha s photolyti c reactions ) i s simpl y th e concentratio no f the reactant . Bimolecula r reactio nrate s ar e calculate dsimilarly , excep t tha t th e concentratio nter m i s the produc t o f th e tw o reactan t concentrations .

Fo r example , th e reactio nrat e (RT ) fo r th e reaction ,

N O + 0 , - NO , + 0 „ (2-2 )



### 1 6P.2 8



### woul db e expresse da s

wher e (RT) , - k , C „ C
.

(RT) 2 

### = rat e o f reactio n 2 , pp mmin" 1 

### k , = rat e o f constan t fo r reactio n 2 , ppm' 1 

### min '

'N O 

### concentratio n o f NO , pp m concentratio n o f 0 3 

### , ppm

I f th e rat e constan t varie s a s a functio n o f temperature , the n k 2 

### woul d b e represente d byth e rat e constan t a t 29 8 K , alon g wit ha n activatio n energ y (E) , i n de g K , suc htha t 1

k : (a t temperatur e T ) = k 29 8 xex p /E/ R 

### 29 8 1 T
Th e tim e rat e o f chang e o f a specie s du e t o chemica l reactio n i s simpl y equa l t o th e su

mo f al l rate s fo r thos e reaction s in whic hth e specie s i s a produc t minu s th e su

m o f th e rate s fo r thos e reaction s in whic hth e specie s i s
a reactant . Thu s

dC , d t = I(RT ) PRO D 

### S (RT ) RE M 

### (2-3 )

dC , d t chemica l reactio n contributio n t o th e

tim e rat e o f chang e o f specie s i

1 7P.2 9



### I(RT ) PM

O 

### th e su

m o f al l reactio nrate s in whic hspecie s i appear s a s a produc t

2(RT ) UA

C 

### th e su

m o f al l reactio nrate s in whic hspecie s i appear s a s a reactan t

Dilutio nEffects Th e mathematica l representatio nfo r simpl e dilutio ndu e t o change s i n th e mixin g dept hi s a first-orde r deca y process . Th e rat e o f chang e du e t o thi s effec t ca nb e represente da s follows :

dC , d t D t 

### C , (2-4 )

wher e

dC , d t

D . = dilutio neffec t contributio nt o th e

tim e rat e o f chang e o f pollutan t specie s i , pp

m min' 1 

### dilutio nfactor , min' 1 

### (functio no f time) ,
C , » concentratio no f specie s i , ppm .

1 8P.3 0

Th e dilutio nfacto r i s calculate db y assumin g tha t th e mixin g heigh t varie s from a minimum

(o r morning ) mixin g heigh t t o a maximu m (afternoon ) mixin g heigh t i naccordanc e wit ha "characteristi c curve " derive dempiricall y fro m dat a take n durin g th e St . Loui s RAP S study (Scher e an

dDemerjian , 1977) . Th e "characteristi c
curve " represent s th e fractiona l growt hi nmixin g heigh t a s a functio no f th e fractio no f daylight . Th e fractio no f dayligh t i s calculate da s follows :

Fractio no f dayligh t = Time (current ) - (tim e o f sunrise ) (tim e o f sunset ) - (time o f sunrise ) Th e mixin g heigh t a t an y give ntime is : Mixin g heigh t - ' H 8 + F6 xDH wher e

H , = mixin g heigh t a t time o f sunris e

(calculate dfrom

th e minimu

m mixin g height ) DH » maximu

m mixin g heigh t - H 0 F s = fractio no f growt hi nmixin g height . Th e "characteristi c curve " i s depicte dgraphicall y i nFigur e 2 . Not e tha t befor e an

dafte r th e inversio nris e period , th e dilutio nfacto r i s zer o sinc e ther e ar e no dilutio neffect s fo r thos e periods . Two modification s hav e bee nmad e t o th e characteristi c curv e concep t t o facilitat e it s use . First , a smoot hcurv e throug hth e point s show ni nFigur e 2 i s use dt o avoi ddiscontinuities . Secondly , th e mixin g heigh t a t th e star t

o f th e simulatio n(usuall y 080 0 hours ) i s use dinstea do f H a a s note dabov e sinc e mos t simulation s star t afte r sunrise . Entrainmen t Effects- - Pollutant s abov e th e mixe dlaye r ar e subjec t t o entrainmen t int o th e colum n
o f ai r simulate db

y th e model . InOZIPM-4 , thes e ma y b e NMOC , NO, , 0, , an d-up . 1 9P.3 1

t o 1 0 othe r chemica l species . Th e mathematica l treatmen t o f entrainmen t

assume s tha t th e concentration s alof t d o no t chang e wit htim e an dtha t the y exten duniforml y

t o a t leas t th e heigh t o f th e afternoo nmixe dlayer . Th e pollutant s entraine dar e assume dt o mi xrapidl y withi nth e enlarge dsurfac e layer . Th e mathematica l expression s fo r th e rate s o f chang e o f th e pollutant s
ar e show nby th e followin g equations :

wher e D t (C,) AL (2-5 )

Dt(C-e) * R * A , (2-6 )



### dC, d t dC

, HC j 

### d t
A

L th e contributio no f entrainmen t t o th e tim e rate s o f chang e o f specie s i o r hydrocarbo n specie s j , respectively , pp mmin' 1



### 2 0r\ j 

### X

X

o on o 

### u . 

# o o o <



## o 

## - *

o 0. 2 0. 4 0. 6 FRACTIO N O F DAYLIGH THOUR S 0. 8

FIGUR E 2

. CHARACTERISTI C CURVE 

### I c oP.3 3

D t = dilutio n facto r (i.e. , th e rat e

constan t a t tim

e t fo r th e mixin g heigh t rise) , min* 1
C j » numbe r o f carbo natom s in

specie s j
R w j = carbo nfractio no f C ^ (C,) ^ = concentratio n o f ozone , N0 2 , and

up t o 1 0 othe r specie s trappe d aloft , pp m (CwoJAL
. » concentratio n o f tota l nonmethan e

organi c compound s trappe d aloft , ppmC
.

I t shoul d b e note d tha t th e effec t o f th e chang e in mixin g heigh t i s th e
sumo f th e dilutio n and th e entrainmen t effects
. Emissio n Effects

Emission s ar e th e fourt h facto r affectin g th e rat e o f chang e o f pollutan t concentrations
. Th e rate s o f chang e du e t o emission s ar e equa l t o th e additiona l concentration s produce d byth e emissions
. Thes e concentration s
ar e estimate d internall yin OZIPM- 4 bydividin g th e emissio n rat e byth e volum e in th e wel l mixe d column o f ai r assume d in th e model
. Becaus e equa l quantitie s o f emission s int o differen t volume s wil l produc e differen t concentrations , i t i s necessar yt o adjus t th e relativ e emission s t o reflec t th e chang e i n th e column volume s du e t o th e ris e in mixin g height
. Thi s i s don e internall yin OZIPM- 4 byfirs t calculatin g th e rati o o f th e startin g mixin g heigh t t o th e curren t mixin g height
. (Thi s i s equivalen t t o th e rati o
o f initia l volum e t o th e curren t volume. ) Befor e th e ris e in mixin g heigh t begins , thi s rati o i s one . Afte r th e ris e ha s ceased , th e rati o i s th e initia l mixin g heigh t divide d byth e fina l mixin g height
. I n general , th e rati o (f t ) i s th e rati o o f th e initia l mixin g heigh t t o th e mixin g heigh t a t tim e t .



### 2 2P.3 4



### Th e rate s o f chang e du e t o th e emission s ar e calculate dfrom th e value s
o f th e emissio nrates , th e f t 

### rati o jus t described , andth e reactivit y inputs . Th e equation s fo r th e rate s o f chang e du e t o emission s fo r eac h
o f th e affecte dspecie s ar e show nbelow :
dC , d t *

\ (E,) t 

### ,

wher e
dC ,

d t
(E,) t 

### emissio ncontributio nt o th e rate s o f

chang e o f specie s i , pp m min' 1



### valu e o f emissio nrate , pp m pe r minut e

Fo r thes e formulations , a conversio nfrom ppm C t o pp m i s performe dfo r hydrocarbo nspecies , an dth e reactivit y

o f th e hydrocarbon s i s take nint o account . Carbo nmonoxid e emission s ca nb e treate dexplicitl y usin g th e option . (CREDIT) , discusse di

nSectio n3 . 2.2. 4 Descriptio no f Numerica l Integratio n Th e kinetic s mode l i

nOZIPM- 4 employ s a Gear-typ e integratio nscheme t o numericall y

solv e th e se t o f differentia l equation s describe di nth e previou s section . Thi s procedur e ha s bee ndescribe delsewher e (Gear , 1971 ; Spel l ma nan d Hindmarsh , 1975 ; Sherman , 1975) . Th e integratio nscheme initiall y use s a time ste po f 1 xIO' 1 0 

### minute s (i.e. , pollutan t concentration s ar e t o b e calculate d1

xIO' 1 0 

### minute s afte r th e star t time) . Subsequen t time ste psize s ar e the n compute db

y th e Gear-typ e integratio nscheme accordin g t o th e estimate derro r

2 3P.3 5

a t eac hstep . Th e pollutan t concentration s ar e calculate da t eac htime ste p throughou t th e simulatio nperiod . (Onc e th e fina l hou r i s reached , ther e i s no restrictio nonprecisel y matchin g th e fina l time step , sinc e th e concentration s
ca nb e interpolate dbac kt o exactl y th e las t hour. ) A

typica l simulatio nperio d take s fro

m 15 0 t o 20 0 time steps ; abou t on e hal f o f thes e time step s ar e use d i nsimulatin g th e firs t minute . Th e tota l rat e o f chang e o f an y specie s i s th e su

m o f th e rate s o f chang e du e t o dilution , entrainment , emissions , an dchemica l reactio njus t described . A t eac htime step , th e concentration s o f al l specie s ar e calculate dalon g wit h th e curren t rate s o f chang e fo r eac hspecie s t o predic t th e specie s concentratio n
a t th e en

do f th e time ste pusing a Taylor-serie s typ e polynomial . Th e orde r
o f th e polynomia l i s varie dinternall y fo r optimu

m efficienc y

an di s base do

n th e value s at th e beginnin g o f th e time step . A correctiv e schem

e the n"corrects " th e new concentratio nvalues , update s th e Taylo r polynomials , an destimate s th e averag e error . Th e correcto r i s a se t o f linea r equation s base dona Jacobia n matri xwhos e element s ar e th e se t o f partia l derivative s o f rate s o f chang e o f concentration s o f eac hspecie s wit hrespec t t o eac ho f th e othe r species . OZIPM 4 utilize s a linea r system solvin g packag e fo r spars e matrice s (i.e. , thos e matrice s i

nwhic hmos t element s ar e equa l t o zero) . Th e integratio nmetho duse di nOZIPM- 4 ha s bee nmodifie dsomewha t from th e versio npublishe dby Spellma nan

dHindmars h(1975) . Fo r example , th e erro r estimatio ni s performe drelativ e t o the curren t concentratio no f a specie s rathe r tha nrelativ e t o it s maximu m concentration . Th e metho dutilize s th e erro r estimat e t o determin e th e optimu m ste psiz e an

dorder , s o tha t th e allowabl e erro r specifie db

y th e use r i s me t wit hth e minimu m numbe r o f integratio nsteps .



### 2 4P.3 6



### Th e fina l tas kperforme ddurin g th e integratio no f th e differentia l equation s i s determinatio no f th e maximu m 1-hour-averag e ozon e concentration : Ozon e concentration s ar e calculate dfo r ever y minut e o f th e simulation . Thi s calculatio n i s performe db

y interpolatio nbetwee nth e actua l time step s use di nth e integration . Runnin g 1-hou r averag e concentration s ar e calculate dusin g Simpson' s rul e an dar e update dever y

minute . Th e larges t 1-hou r averag e concentratio ni s the nselecte da s th e maximum . 2. 3 SELECTIO N

O F SIMULATION S FO

RGENERATIO N

O F ISOPLET H DIAGRAM S Whe ngeneratin g a

nozon e isoplet hdiagram , the initia l NMO C an dNO , concentration s fo r eac hsimulatio nar e selecte dinternall y b y OZIPM-4 . Th e program control s th e selectio no f NMO C an dNO , concentration s s o tha t maximu m accurac y i s obtaine dfo r th e isoplet hdiagram fo r a give nnumbe r o f simulations . Th e OZIPM- 4 perform s a serie s o f 12 1 simulation s ona n1 1 x1 1 rectan-gula r gri dwit hpoint s evenl y space dwithi nth e specifie drang e o f NMO C an dNO , concentrations . Fro

m thes e 12 1 simulations , th e pollutan t isoline s ar e estimate d base doncontourin g procedure s describe db y Sutcliff e (1978) .P.3 7



### 3. 0 DESCRIPTIO N

O F OZIPM- 4 OPTION S Thi s sectio ndescribe s indetai l th e differen t option s an dinput s availabl e fo r us e wit hth e OZIPM- 4 compute r code . Onl y option s whic har e anticipate dfo r
us e wit hregulator y

analyse s ar e liste dbelow . Citv-Specifi c Option s PLAC E - locatio no f th e sit e DILUTIO N - inpu t minimu

m an dmaximu m inversio nheight s TEMPERATUR E - inpu t hourl y temperatur e value s TRANSPOR T -
MSSEMIS S - REACTIVIT

Y-
CREDI T



### BIOGENIC S - WAJ1 R inpu t surfac e laye r an dalof t condition s o f NMOC , NO, , an d0 , inpu t hourl y

mas s emissio ndensitie s o f VO C an dNO , inpu t reactivit y

o f th e initia l NMO C mi xan dVO C emission s an

dth e initia l NO,/NO , rati o inpu t hourl y

emissio ndensitie s o f C O an dallow chang e i

n C O i nth e futur e year . inpu t hourl y

mas s emissio ndensitie s o f biogeni c emission s inpu t hourl y

relativ e humiditie s (neede dt o estimat e atmospheri c moistur e content ) Additiona l Simulatio nPotion s 

## HU E TIM E SPECIE S
ACCURAC Y

ALREAD Y

PLO T inpu t simulatio ntitl e

inpu t startin g an

dendin g time s fo r compute r simulation s inpu t th e specie s o f interes t fo r isopleth s chang e th e accurac y

o f th e simulatio n(erro r tolerance ) an d the toleranc e fo r splin e interpolatio n time saving optio nutilizin g simulation s fro m a previou s ru

n d o off-lin e plottin g (CALCOMP )

2 6P.3 8

Program Outpu t Potion s EKM A - perform

calculation s t o obtai nrequire dVO C reduction , give n assumption s abou t change s i nNO , an dC O CALCULAT E - d o a singl e poin t onth e isopleth , calculatin g ozon e a s a

functio no f time ISOPLET H - d o th e whol e isoplet hdiagram Th e firs t fou r letter s o f eac hoptio nhav e bee nunderline dt o denot e th e require dinpu t code . Typica l OZIPM- 4 simulation s fo r regulator y analyse s ar e expecte dt o contai nth e followin g options : PLACE . DILUTION . IEJ1EERATURE , TRANSPORT . MSJEMISS , REACTIVITY . £B£QIT , TITLE . SJJ&ENIC S an dWATER . Dependin g uponth e typ e o f simulation , th e followin g option s ma y als o be included : EKMA . CALCULATE . ISOPLETH. . an dPLOT . Exampl e run s ar e containe di nth e appendices . 3. 1 SITE-SPECIFI C OPTION S
Severa l option s ca nb e use dt o describ e th e initia l an dmeteorologica l condition s fo r th e compute r simulations. . Thes e option s ar e PLACE . DILUTION . WATER . IEMEERATURE , TRANSPORT , an dIIM£ . Thre e differen t option s MMS.EMISS , CREDIT , an

dBIOGENIC S canb e use dt o describ e th e emission s enterin g the ai r parce l durin g th e simulation . Th e optio nREACTIVIT Yi s use dt o specif y site specifi c informatio no nth e reactivit y

o f th e initia l NMO C an dNO , ambien t mi x
an dth e VO C an

dNO , emissions . 3.1. 1 Plac e an

dDat e I nal l OZIPM- 4 runs , th e rat e constant s o f th e photolysi s reaction s i nth e kineti c mechanis m ar e varie di

naccordanc e wit hth e diurna l chang e i n sunligh t intensit y

(or sola r zenit hangles ) durin g th e specifie dsimulatio n period . Thi s diurna l variatio ni s calculate dusin g a compute r cod e writte nby Scher e an

dDemerjia n(1977 ) tha t i s incorporate di nOZIPM-4 . Th e use r ca nadjus t th e photolysi s rat e constant s t o th e are a o f interes t b y changin g th e dat e o r
2 7P.3 9

location , o r both , fro m th e defaul t va l ue s o f 2 1 Jun e 198 6 a t Lo s Angeles , California . Th e optio ni s activate dby th e cod e wor dPLACE . Th e firs t thre e numeri c field s o f th e PLAC E lin e (Column s 1 1 throug h40 ) contai nth e latitud e (decima l degree s north) , longitud e (decima l degree s west) , an dtime zon e (hour s fro m Greenwic hMea nTime) . Th e nex t thre e field s ar e use dt o specif y th e year , month , an

dda y i nColumn s 41-50 , 51-60 , an d61-70 , respectively . A nadditiona l lin e ma y b e require dafte r th e PLAC E line . Onthi s line , th e name o f th e cit y
o f interes t i s entere dbetwee nColumns 1 an d24 . Thi s lin e i s necessar y onl y i f a nonzer o valu e fo r th e latitud e o r th e longitud e i s entere do nth e PLAC E 1 ine . Therefore , eve ni f th e defaul t value s o f 34.05 8 an d118.25 0 ar e entered , a second lin e i s require dwit hth e name o f th e place . User s intereste di nth e defaul t locatio nnee dno t specif y th e latitud e andlongitude . Th e correc t se t o f numerica l time zone s fo r th e continenta l Unite d State s i s a s follows :

Numerica l Time Zon e CommonName 4. 0 Easter nDayligh t Tim e 5. 0 Centra l Dayligh t Time 6. 0 Mountai nDayligh t Time 7. 0 Pacifi c Dayligh t Time

T o produc e standar dtime simulations , eve nthoug hth e outpu t wil l sho w dayligh t tim e units , a fals e tim e zon e canbe create db y increasin g the numerica l tim e
zon e b y on e uni t (hour) . Thus , Pacifi c Standar dTime photolysi s constant s woul d b e generate di f a 8. 0 wer e entere dinstea do f th e correc t 7. 0 time zone . Th e outpu t shoul dthe nsho w tha t sola r noonoccur s nea r 120 0 hour s whe nth e printin g
o f sola r noo ni s activated .


### 2 8P.4 0



## 3.1. 2 Dilutio nfate Dilutio ni

nOZIPM- 4 occur s a s a resul t o f th e ris e i nth e earl y

mornin g inversion . Unde r defaul t conditions , th e mixin g heigh t i s assume dt o ris e fro m 51 0 meter s t o 63 0 meter s ove r a 7-hou r perio dstartin g a t 080 0 LD T usin g th e characteristi c curve . City-specifi c value s fo r determinin g th e characteristic-curv e dilutio n rat e ar e entere dusin g th e wor dDILUTION . Th e value s o f th e mornin g mixin g height , afternoo nmixin g height , startin g tim e fo r th e ris e i nmixin g height ,
andstoppin g time fo r th e mixin g heigh t ris e ar e entere di nth e firs t fou r numeri c field s o f th e DILUTIO N lin e (i.e. , Column s 11-20 , 21-30 , 31-40 , an d41 - 50 , respectively) . Th e startin g an dstoppin g time shoul db e i n24-hou r time format , LDT . Fo r bot hdefaul t an dspecifi c conditions , dilutio ni s assume dno t t o occu r outsid e th e startin g an dstoppin g times . 3.1. 3 Temperatur e Anothe r optio nfoundi nOZIPM- 4 i s th e variatio ni ntemperatur e durin g
a simulatio nperiod . Th e chemica l kineti c mechanis m canbe-dependen t o nth e variatio no f temperatur e i nth e manne r describe db y Whitten , Killus , an dHog o (1980) . A s th e temperatur e rises , th e kineti c mechanis m generall y

react s mor e rapidly , leadin g t o earlie r formatio no f ozon e durin g th e simulatio nperio dan d possibly highe r amount s o f ozone . Th e use r declare s thi s optio n(TEMP ) an dgive s th e numbe r o f hour s o f temperatur e dat a t o input . Th e temperature s ar e the n entere dfo r th e initia l hou r an dth e endo f eac hhour . Al l temperatur e value s
mus t b e i

nunit s o f degree s Kelvin . I f th e TEMPERATUR E optio ni s no t used , th e defaul t valu e i s 303*K , whic hi s assume dt o b e constan t throughou t th e simulation .



### 2 9P.4 1

3.1. 4 Atmospheri c Moistur e Inth e past , OZIPM- 4 ha s use da constan t defaul t wate r vapo r concentratio no f 20,00 0 ppm . However , recen t wor kha s show ntha t predicte d

ozon e level s ca nvar y b y a s muc ha s 2 0 t o 3 0 percen t wit hfactor s o f two variatio n i nwate r vapo r concentration . Th e WATE Roptio ni s use dt o inpu t th e dail y atmospheri c pressur e an dhourl y

value s o f th e relativ e humidity . OZIPM- 4 wil l calculat e hourl y

value s o f wate r vapo r concentratio nuse di nth e mode l simulations . 3.1. 5 Initia l Condition s o f Transporte dSpecie s Th e TRANSPOR T optio ni s use dt o inpu t initia l concentration s o f 0, , NMOC , an

dNO , transporte di

nth e surfac e laye r an dentraine dfro

m aloft . Th e concentration s o f transporte d0 , an dNO , ar e entere donth e firs t lin e o f th e TRANSPOR T option . Transporte dNMO C concentration s ar e als o entere donth e firs t lin e i f th e defaul t composition s fo r surfac e an dalof t NMO C transpor t ar e used . However , i f th e use r want s t o chang e th e compositio no f transporte dNMO C fro m th e defaul t values , th e forma t fo r th e NMO C input s i s different . Instea do f enterin g th e concentratio nfo r NMO C transporte di nth e surfac e layer , a "-9 " i s entere di

ntha t fiel donth e TRANSPOR T line . Similarly , a "-9 " i s entere dif ther e ar e organic s entraine dfro m aloft . Thes e number s correspon dt o th e numbe r
o f transporte dorgani c specie s i nth e CBM-4 . Immediatel y followin g th e TRANSPOR T lin e th e concentratio no f NMO C transporte di nth e surfac e laye r an dth e fractio n
o f th e tota l organi c fo r eac horgani c specie s ar e input . Similarly , th e concentratio no f NMO C alof t andth e fractio no f th e tota l NMO C fo r eac horgani c specie s ar e inpu t onth e thir dlin e o f th e transpor t optio n(o r immediatel y followin g th e TRANSPOR T lin e i f ther e i s no surfac e transpor t o f NMOC) . Not e tha t th e fraction s fo r th e organi c specie s transporte di nthe-sus:i._i

f ,.e.,laye r an d
3 0P.4 2

alof t ca nb e differen t i nth e two cases . Whe nusin g CBM-4 , th e fraction s mus t b e entere di

nth e followin g order : ETH , OLE , ALD2 , FORM , TOL , XYL , PAR , ISOP ,
andNR . Th e concentration s o f specie s transporte di nth e surfac e laye r an dalof t remai nconstan t fo r an y simulatio no

na give nisoplet hdiagram . Th e EKM A optio n i s th e onl y

optio nwhic hallow s th e use r t o modif y transporte dsurfac e an dalof t condition s fo r futur e yea r calculation s withou t hayin g t o perform a separate ,
new mode l run . 3.1. 6 Simulatio nStartin g and . Endin g Time s Optiona l startin g an

dendin g time s ca nbe entere dwit hth e TIM E option . Th e startin g an

dendin g time s (Loca l Dayligh t Time , base do nth e 24-hou r clock )

ar e place di

nth e second(Column s 11-20 ) an dthir d(Column s 21-30 ) ten-colum n fields , respectively . Time s ma y b e entere dt o th e neares t minute , bu t th e time differenc e (sto pminu s start ) mus t no t excee d2 4 hours . Both , th e startin g an d endin g time s ar e se t bac kt o defaul t value s whe na zer o valu e i s entere dfo r th e endin g time . Startin g an

dendin g time s ca nals o exten dbeyon dmidnigh t int o th e nex t day ; th e use r nee donl y specif y

th e times . Thus , th e maximum o f 2 4 hour s fo r
a simulatio ni s no t confine dt o a 24-hou r perio dfro m midnigh t (000 0 hr ) t o 240 0 hours . 3.1. 7 Emission s Th e MASSEMIS S optio nallow s th e use r t o inpu t VO C an dNO , emission s i nunit s o f kg/km 2 . Th e hourl y emissio ndensitie s ar e converte dt o fraction s
o f initia l concentration s withi nth e program base do

nth e initia l NMO C an dNO , concentrations , an

dth e initia l mixin g heigh t (i nmeters) . Thi s procedur e i s describe di

nEPA (1989) . Th e firs t MASSEMIS S lin e contain s th e numbe r o f hour s
3 1emission s ar e t o b e added , th e initia l NMO C and NO , concentrations , and th e

beginnin g mixin g height
. Th e nex t lin e contain s up t o 7 hour s o f VO C emission s i n kg/km 2

. Th e followin g line s eithe r continu e VO C emission s o r NO , emissions
. 3.1. 8 Consideratio n o f Carbo n Monoxid e Th e CREDI T optio n allow s fo r post- 8 a.m . C D emission s in EKMA calculations
. Th e firs t lin e o f th e CREDI T optio n contain s th e numbe r o f hour s emission s are-t o b e added , expresse d a s a negativ e number
. Thi s numbe r mus t matc h th e numbe r o f hour s o n th e MAS S option
. Th e initia l mixin g heigh t i s als o entere d

o n thi s line
. Th e secon d lin e contain s th e present-da y6- 9 a.m . C D concentration , th e present-da yC P concentratio n in th e surfac e layer , th e present-da yC P aloft , th e percen t chang e i n C P emission s fo r th e futur e year , futur e C P i n th e surfac e layer , and futur e C P aloft
. Th e thir d lin e contain s hourl yemission s o f C P in
mas s units
. I f th e use r input s a present-da y6- 9 a.m . C P concentration , tha t valu e wil l b e reduce d i n th e future-yea r calculation s b yth e percen t chang e in C O emission s tha t i s entere d fo r th e futur e year . 3.1. 9 Biogeni c Emission s Th e BIOGENIC S optio n i s use d t o inpu t post-080 0 emission s o f u p t o fiv e biogeni c species
. Th e CBM- 4 mechanis mtreat s on e biogeni c specie s (isoprene ) explicitly
. Othe r biogeni c specie s ar e expresse d a s CBM- 4 specie s accordin g t o th e methodolog youtline d i n EP A(1989)
. Th e firs t lin e in th e BJOfiENIC S optio n contain s th e fou r lette r cod e "BIOG " t o invok e th e BIOGENIC S optio n followe d b y th e numbe r o f hour s o f emission s o f th e biogeni c species
. Note , a negativ e numbe r
o f hour s i s entere d t o b e consisten t wit h th e MAS S option
. Th e thir d ite mo n th e firs t lin e i s th e numbe r o f biogeni c specie s wit h post-080 0 emissions
. U p t o fiv e biogeni c specie s ca n b e input
. Th e initia l mixin g heigh t (i n meters )



### 3 2P.4 4

i s entere dnext . Th e mixin g heigh t i s use dt o conver t hourl y emissio ndensitie s t o concentratio nunit s require db y th e OZIPM- 4 program . Th e nex t se t o f line s (line s 2 t o 5 ) ar e repeate dfo r eac hbiogeni c species

upt o th e numbe r specifie di ncolumn s 21-3 0 o f th e firs t line . Th e secondlin e
o f th e BIOGENIC S optio ncontain s th e name o f th e biogeni c species . Th e onl y biogeni c specie s whic hrequire s a nexac t spellin g i s isopren e (ISOP ) sinc e it i s a species foundi nth e photochemica l mechanism . Not e tha t ISO P mus t b e i n capita l letters . Th e nex t ite m (locate dincolumn s 11-20 ) onth e secondlin e contain s a fla g t o tel ] OZIPM- 4 tha t th e specie s i s treate dexplicitl y i nth e photochemica l mechanism . A nonzer o positiv e valu e woul dtel l OZIPM- 4 tha t th e specie s i s t o b e treate da s a mixtur e o f CBM- 4 species . Currently , fo r isoprene , th e fla g woul db e se t t o zero . Th e nex t item s onlin e 2 ar e th e present-da y biogeni c concentration s transporte di nth e surfac e laye r an dentraine dfrom

alof t (i nunit s o f ppm) . Th e percen t chang e inbiogeni c emission s fo r th e futur e yea r i s entere dnext , followe db y th e future-yea r concentration s transporte di nth e surfac e laye r an

dentraine dfro

m aloft . Th e thir dlin e o f th e BJOfiENIC S optio ncontain s th e species molecula r weigh t i

nunit s o f gm/mole . I f th e fla g locate di ncolumn s 11-2 0 o f lin e 2 i s
nonzero , th e nex t line s contai nth e species bondfraction s apportione dt o th e CBM- 4 species . Th e bondfraction s mus t b e inpu t i nth e followin g order : ETH , OLE , ALD2 , FORM , TOL , XYL , PAR , an dNR . Th e nex t se t o f line s inth e BIOGENIC S optio ncontain s th e hourl y emissio n densitie s i

nunit s o f kg/km 2 . Note , th e BIOGENIC S optio ncanb e use dt o inpu t onl y initia l an

dalof t biogeni c concentration s b y enterin g smal l emissio n densitie s (e.g. , 0.0001 ) fo r eac ho f th e hour s o f emissions .



### 3 3P.4 5

3.1.1 0 Reactivit y

o f Initia l Mi xan

dVO C Emission s Organi c reactivit y

an dth e initia l N0,/N0 , rati o fo r bot hth e 0600- - 090 0 ambien t mi xan

dth e VO C an

dNO , emission s ar e inpu t wit hth e REACTIVIT Y option . Th e followin g entries mus t b e mad e onth e REACTIVIT Yline :

Th e numbe r o f organi c species ; an d Th e N0,/N0 , rati o I f th e numbe r o f organi c specie s i s nonzero , th e nex t line(s ) describe s th e fraction s o f th e tota l organi c (pe r carbo nbasis ) tha t eac horgani c specie s represents . Th e orde r mus t b e th e sam e a s tha t fo r th e name an dcarbonnumber s entere dearlier . Th e su m o f the organi c fraction s shoul dnormall y b e equa l t o
one . Not e tha t th e carbo nfraction s an dN0,/N0 , rati o fo r bot hth e initia l mi x
an dth e subsequen t emission s mus t b e identical . Th e defaul t value s fo r th e organi c fraction s ar e se t t o th e value s recommende di nSectio n4 . 3. 2 OUTPU T OPTION S Outpu t option s ar e o f thre e types : (1 ) Perform

a singl e simulation ; (2 ) Estimat e VO C contro l requirement s automaticall y withou t generatin g a nisoplet hdiagram ; an d (3 ) Estimat e VO C contro l requirement s by generatin g anisoplet hdiagram . A singl e simulatio ni s performe dusin g th e CALCULAT E option . Th e second optio n(EKMA ) estimate s th e VO C contro l requiremen t base do ninput s o f a

nhourl y
ozon e concentration(generall y the dail y

maximu m valu e observe do

nth e day

bein g simulated ) an

dNM0C/N0 , rati o int o OZIPM-4 . Th e thir doptio n(ISOPLETH ) require s th e generatio no f a t leas t on e isoplet hdiagra m i nwhic hal l calculation s ar e performe donth e diagram .



### 3 4P.4 6

Al l thre e option s ar e discusse dindetai l inth e followin g paragraphs . 3.2. 1 Performin g a Singl e Simulatio n(CALC ) Individua l simulation s ca nb e performe da t specifie dinitia l NMP C an d NO , concentration s usin g th e CALCULAT E line . Th e firs t two numeri c field s o n th e CALCULAT E lin e (Column s 11-2 0 an d21-30 ) specif y

th e desired0600-090 0 ambien t NMO C an

dNO , concentrations . Th e initia l condition s an dhourl y

ozon e concentrat.ion s wil l b e printe dt o sho w th e chang e o f ozon e wit htime during th e simulation . Any

numbe r entere di

nth e thir dnumeri c fiel d(Column s 31-40 ) wil l activat e aninformatio noptio ntha t wil l print : Th e rat e constant s use di nth e kineti c mechanism , Th e concentration s o f al l specie s i nth e kineti c mechanism , Th e ne t rat e o f chang e o f al l species , Th e reactio nrate s fo r eac hreaction , and Th e photolysi s constant s fo r al l photolysi s reactions . I f th e informatio ni s activated , th e use r ca nthe nspecif y th e simulatio n time (i nminutes ) fo r whic hconcentration s o f al l species , curren t reactio nrates , etc. , wil l b e printed . Th e numbe r o f minute s afte r th e simulatio nstartin g time
a s whic hth e initia l printin g i s mad e (defaul t valu e = 6 0 minute s afte r start ) i s entere dinColumn s 41-50 . Th e integra l tim e ste pfo r whic hsubsequen t printing s
ar e mad e (defaul t valu e » 6 0 minutes ) i s enteredinColumn s 51-60 . Unde r defaul t values , hourl y

concentration s o f species , ne t rate s o f changes , etc. , ar e printed . Afte r th e simulatio nha s ended , a concentratio nversu s time profil e i s printe d fo r ozone . 3.2. 2 Calculatin g VO C Contro l Requirement s fo r a Specifi c Cas e (EKMA )
A featur e availabl e i nth e OZIPM- 4 program i s th e abilit y

t o perform
a VO C emissio nreductio ncalculatio nwithou t generatin g a noznn e isoplet hdiagram . 3 5P.4 7

Whe nth e EKM

A optio ni s used , th e use r mus t suppl y informatio nonth e ozon e concentratio nt o b e reduce dt o th e leve l o f th e U . S . NAAQ S (0.1 2 ppm) , th e NMPC/NP , rati o t o b e use di nth e calculation , an dth e percen t chang e i nNP , emissions . Inaddition , change s i nC O level s shoul db e considered . Change s i n C O ar e considere dwit hth e CREDI T option , whic hshoul db e ru ni nconjunctio nwit h th e EKM A option . Th e calculation s inEKM A ar e performe di

naccordanc e wit hth e procedure s use dt o calculat e contro l estimate s fro m a nozon e isoplet hdiagram (EPA , 1981) . Throug ha niterativ e searc hprocedure , th e desig npoin t i s firs t locate db

y findin g th e initia l NMO C an dNO , concentration s (wit hth e specifie d ratio ) tha t produc e th e desire dozon e concentratio n(withi n0.000 5 ppm) . A post contro l poin t i s the nfoundb y firs t adjustin g th e base-cas e NO , poin t t o reflec t th e chang e i

nNO , emission s inpu t b y th e user , an

dthe nfindin g th e initia l NMO C concentratio nthat , alon g wit hth e adjuste dNO , concentration , wil l produc e a n
ozon e valu e o f 0.1 2 pp m (again , withi n0.000 5 ppm) . Th e VO C reductio nestimat e i s the ncalculate da s th e percen t chang e i nNMO C concentratio nfro m th e bas e cas e poin t t o th e post-contro l point . Followin g Gipso n(1984) , th e EKM A optio ni s activate db y a ninpu t recor d wit hth e cod e wor dEKM A locate di

nColumn s 1-4 . Th e desig nozon e valu e i s the n place di

nth e firs t numeri c fiel do f th e EKM A inpu t record . Th e secondnumeri c fiel do f thi s recor dcontain s th e NM0C/N0 , ratio . Th e percen t chang e i nNO , emission s tha t i s expecte dbetwee nth e bas e cas e an dth e post-contro l time period s i s code di

nth e thir dnumeri c field . Thi s valu e shoul db e entere da s th e percen t change . Thus , a positiv e entr y correspond s t o a

nincrease , an

da negativ e entry , t o a decrease . (Fo r example , a 5 percen t increas e woul db e code da s 5.0 , an da 5 percen t decrease , a s -5.0. ) Th e fourt hnumeri c fiel di s use dt o signif y a chang e i

ntranspor t conditions . I f th e same transpor t condition s ar e assume d
3 6P.4 8

fo r th e bas e cas e an

dpost-contro l case , thi s entr y ma y b e lef t blank . Otherwise ,
a numeri c entr y

(e.g. , 1.0 ) denote s tha t transpor t condition s t o b e use dfo r th e post-contro l cas e ar e differen t from thos e use dfo r th e bas e case , an dthes e new value s ar e code di

nth e nex t inpu t record . Th e firs t tw

o field s o f thi s nex t inpu t recor dcontai nthe surfac e an d alof t ozon e concentration s (i nppm) , respectively . I f a negativ e valu e i s input , the nfuture-yea r ozon e transpor t i s estimate dusin g th e curve s describe di nEP A (1989 ) andshow

ni nFigur e 3 . A s note di nEPA (1989) , citie s inth e ROMNE T domai n shoul dfollow

alternativ e procedure s whic har e currentl y bein g develope dfo r preparatio no f presen t an dfutur e level s o f ozon e an dprecursor s aloft . Th e thir d fiel dcontain s th e concentratio no f NMO C transporte di nth e surfac e laye r fo r th e post-contro l situation . I t i s recommende dtha t thi s valu e b e se t t o zero . Th e fourt hfiel drepresent s th e concentratio no f NMO C transporte dalof t fo r post contro l conditions . I t i s recommende dtha t thi s valu e b e se t t o 2 4 ppm C i f th e defaul t NMO C alof t condition s ar e used . Th e nex t tw o field s (fiv e an

dsix ) contai nth e futur e NO , surfac e an dalof t transpor t level s (i nppm) . Th e use r shoul dnot e tha t th e structur e o f thi s inpu t recor di s simila r t o tha t o f base cas e transpor t leve l wil l b e use dfo r th e post-contro l case . Also , n o provision s
ar e include dfo r makin g an y change s t o th e compositio no f NMO C use di nth e simulation s (i.e. , th e same NMO C transpor t compositio nwil l b e use dfo r bot hbas e
cas e an dpost-contro l point) . Th e las t lin e o f th e EKM A optio ncontain s th e media n0600-090 0 NMO C an d NO , values , whic har e use dinternall y b y OZIPM-4 . Thi s lin e i s als o use dt o inpu t th e base-yea r NMO C an dNO , concentration s (i nunit s o f ppm C an dppm ) i

n Column s 31-4 0 an

d41-5 0 i f th e use r already ha s thi s informatio nfrom singl e



### 370 0(PPM).NSPORT



### POZONEFUTURE 0.1 2 0.1 1 0. 1 0.0 9 0.0 8 0.0 7 0.0 6 0.0 5 0.0 4 0.0 3 0.0 2 0.0 1 0 T I I I I 1 I I I I 1 I 1 I 1 I 1 1 T 

### O 0.0 2 0.0 4 0.0 6 0.0 8 0. 1 0.1 2 0.1 4 0.1 6 0.1 8 0. 2

PRESEN T OZON E TRANSPOR T (PPM )
Isolate d Are a Are a Wit h Larg e llonattainr.ien t Are a Upwin d

FIGUR E 3 FUTUR E OZOH E TRAIISPOR TA S A FUIICTIO U O F PRESEHTTRANSPOR TP.5 0

CAL C run s o r from

previou s simulations . I f a negativ e NMOC/NP , rati o i s input , OZIPM- 4 wil l rea dth e base-yea r locatio nan dski pt o th e future-yea r contro l estimates . Thi s capabilit y save s compute r time an dcosts . A s jus t described , th e EKM A optioncause s th e program t o comput e th e VO C reductio n(i npercent ) neede dt o lowe r th e bas e ozon e t o 0.1 2 ppm . Anothe r optio n availabl e t o th e use r i s th e abilit y t o generat e supplementa l information . A n entr y o f 1. 0 i

nth e fift hnumeri c fiel do f th e EKM A lin e generate s a tabula r repor t showin g th e chang e i nozon e a s a functio no f percentag e chang e i nVOC . Predicte dozon e correspondin g t o VO C reduction s o f 1 0 percent , 2 0 percent , 3 0 percent , .. . an

d10 0 percent , respectively , ar e printed . I f a valu e o f 2. 0 i s code dinstead , th e predicte dozon e concentration s wil l als o b e writte nt o a user define dfile , whic hmigh t b e use dfo r subsequen t analysi s o r graphica l displa y On e outpu t recor di s writte nt o th e fil e fo r eac hEKM A optio ntha t i s activated . Th e outpu t forma t consist s o f 1 1 fields , eac h5 column s wide . Th e firs t fiel d (Column s 1-5 ) contain s th e base-cas e ozon e value . Th e remainin g 1 0 field s contai n th e ozon e prediction s correspondin g t o th e VO C reduction s o f 1 0 percent , 2 0 percent , 3 0 percent , .. . 10 0 percent , intha t order . Th e use r ca nperform a singl e specifie dVO C reductio ni f a nonzer o valu e i s declare di nth e sixt hnumeri c field . 3.2. 3 Generatin g a

nIsoolet hDiagram

(ISOP ) Upt o si xadditiona l options canb e use dwhe ngeneratin g a nisoplet h diagram : ISOPLETH . TITLE . PLOT . SPECIES . ACCURACY , an dALREADY . Thes e option s
ar e describe dnext . 3.2. 4 ISOPLET H Potio n Inal l OZIPM- 4 isoplet hdiagrams , th e origi nrepresent s 0. 0 initia l 0600-090 0 a.m . NMO C concentration s (ppmC ) an d0. 0 NO , concentrations . Th e 3 9P.5 1

maximu m NMO C an

dNO , value s represente d o n th e absciss a an d th e ordinat e ca n b e change d fro mthei r respectiv e defaul t value s o f 2. 0 ppm C NMO C and 0.1 4 pp mNO , byputtin g th e desire d maxim a int o th e firs t tw o numeri c field s o f th e ISOPLET H line
. Th e desire d maximu mNMO C concentratio n shoul d b e place d in th e fiel d o f Column s 1 1 throug h 20
. Th e desire d maximu mNO , concentratio n shoul d b e place d in th e fiel d o f Column s 2 1 throug h 30
. An ynumbe r ca n b e use d fo r th e desire d maximu mNMO C and NO , concentrations
. However , becaus e th e scale s o n th e absciss a and th e ordinat e ar e divide d int o te n and seve n divisions , respectively , onl ycertai n value s o f th e maximu mwil l produc e eve n markers
. Thus , t o produc e an easy-to-us e diagram , th e NO , maxim a shoul d b e evenl ydivisibl e byseve n (e.g. , 0.14 , 0.21 , 0.2S , 0.35 , etc.)
. Simila r consideratio n shoul d b e give n t o selectin g a n NMO C maximum
. Th e desire d numbe r o f isopleth s in th e diagra mshoul d b e inserte d (followe d bya decima l point ) in th e fiel d o f Column s 3 1 throug h 4 0 o f th e ISOPLET H line
. Up t o 2 0 isopleth s ca n b e draw n (th e defaul t valu e i s 11)
. OZIPM- 4 the n read s th e prope r numbe r o f field s fro mth e succeedin g 1 in e o r 1 ine s t o provid e th e ozon e concentration s (i n unit s o f ppm ) fo r whic h isopleth s ar e t o b e drawn
. Fo r example , insertin g 10. 0 in Column s 31-3 4 o f ISOPLET H cause s OZIPM- 4 t o rea d th e
seve n 10-spac e numeri c field s o n th e nex t lin e and thre e o n th e succeedin g line
. (OZIPM- 4 doe s no t rea d pas t Column 7 0 o n anylin e excep t th e progra mtitl e line. ) OZIPM- 4 ca n provid e isoplet h diagram s fo r up t o fiv e specie s whe n th e SPECIE S optio n i s specified
. Th e use r mus t ente r th e numbe r o f specie s t o b e plotte d in column s 6 1 t o 70
. Th e progra mwil l rea d th e appropriat e se t o f isoline s t o b e plotte d base d o n th e valu e i n column s 6 1 t o 7 0 (on e se t pe r species)
. Th e numbe r o f isoline s fo r eac h se t i s determine d fro mth e valu e entere d in column s



### 4 0P.5 2

3 1 t o 40 . Th e use r enter s th e value s fo r eac hse t o f isoline s afte r th e ISOPLET H line . 3.2. 5 TITL E Optio n

Th e titl e ca nb e change dby insertin g a lin e wit hth e wor dTITL E followe db

y a lin e wit hth e desire dtitle . Everythin g i nColumn s 1 throug h7 2

o f thi s titl e lin e wil l b e printe donth e outpu t an disoplet hdiagram s i nplac e
o f th e defaul t title , "Standar dOzon e Isoplet hConditions. " A s wit hal l options , thes e line s mus t preced e th e ISjQPLETH , CALCULATE , o r EKM A lines . 3.2. 6 PLO T Potio n Any plottin g packag e tha t ca nb e calle dusin g th e standar dCALCCM P subroutine s ca nb e used . Call s t o thes e routine s ar e activate db y a lin e wit h th e cod e wor dPLPT . Thi s lin e mus t preced e th e ISPPLET H line . Th e actua l CALCPM P routine s calle dar e PLOTS , PLOT , NUMBER , SYMBOL , an dNEWPE N

(i f necessary) . Th e us e o f th e CALCOM P routine s i s discusse di nSectio n5 . Th e use r als o ha s th e optio nt o specif y th e actua l siz e o f th e plo t b y definin g th e length s (i ninches ) o f th e side s o f th e diagram . Column s 31-4 0

ar e use dfo r th e absciss a o f th e diagram . Column s 41-5 0 ar e use dfo r th e ordinat e
o f th e diagram . Th e siz e o f titl e character s an daxe s number s an

dth e siz e o f th e isoplet hlabel s ca nals o b e se t by th e use r i

nColumn s 51-6 0 and61-70 , respectively . Th e defaul t value s ar e give ni nSectio n4 . I f th e use r wishe s t o rese t an

y o f thes e values , i t i s recommende dtha t al l value s chang e proportionally . Anothe r optio nonth e CALCOM P plot s i s th e overla y o f gridde dline s o

nth e isoplet hdiagram . Thi s i s don e b y declarin g an

y nonzer o positiv e value s i n Column s 21-30 . I f thi s optio ni s exercised , a gri do f differen t color s wil l b e overlai dont o th e diagram . I f th e use r doe s no t hav e acces s t o th e choic e o f
4 1P.5 3

differen t pe ncolors , us e o f thi s optio ni s no t recommended . I f ther e i s acces s t o a matri xplotte r (suc ha s th e VERSATE C plotter ) an dth e choic e o f line s consist s o f thicknes s an dpatter n(i.e. , dot-das honsoli dpatterns) , th e use r
ca nthe nente r a negativ e nonzer o valu e inColumn s 21-30 . Th e absolut e valu e
o f th e numbe r entere drepresent s th e user' s choic e o f patter nan dthickness . Thi s numbe r varie s wit hdifferen t compute r systems . 3.2. 7 SPECIE S Potio n Th e PZIPM- 4 packag e als o ha s th e capabilit y o f plottin g a

nisoplet h fo r an y specie s inth e kineti c mechanism . Fo r instance , a use r ma y b e intereste d i nplottin g a

nNP , o r PA

N (peroxyacetylnitrate ) isopleth . T o activat e thi s option , th e use r input s a lin e wit hth e wor dSPECIE S i nth e firs t 10-colum

nfiel d

an dth e numbe r o f specie s t o b e plotted . O nth e nex t line , th e specie s names (o r alphanumeri c symbols) , a s use di nth e kineti c mechanism , ar e place di nth e firs t fou r columns"o f eac h10-colum nfiel d(i.e. , 1-4 , 11-14 , 21-24) . Th e program wil l calculat e maximu m 1-hou r value s fo r th e specie s o f interest . Isoplet h diagram s wil l b e generate dfo r al l specie s o f interes t whe nth e ISOPLET H optio n i s used , a s note dearlier . I f th e SPECIE S lin e i s no t used, , th e program wil l b e se t t o th e defaul t specie s 0 , (ozone) . Th e SPECIE S optio ncanals o be use d wit hth e CALCULAT E optio nt o generat e concentration-tim e plots fo r th e specie s
o f interest . 3.2. 8 ACCURAC YPotio n Th e ACCURAC Yoptio ncontrol s th e numbe r o f simulatio npoint s use di n generatin g a

nisoplet hdiagram . Th e CZIPM- 4 perform s 12 1 simulations . Us e o f th e ACCURAC Yoptio ni s no t recommende dfo r routin e application s o f CZIPM-4 . Th e splin e tensio nfactor s use dfo r th e splin e interpolatio nroutine s ar e specifie d i nColumn s 41-5 0 an

d51-60 . Sinc e u;; i L^^T H optio nrequire s greate r amount s

4 2P.5 4



### o f executio ntime , th e use r i s advise dt o perform severa l singl e calculation s
nea r th e maximu

m NMO C an

dNO , concentration s t o assur e tha t th e desig nozon e isolin e occur s nea r th e uppe r righ t portio no f th e diagram . Poo r choice s fo r th e maximum

NMO C an dNO , concentratio nca nlea dt o isoline s occurrin g of f th e diagra m o r ma y b e compresse dint o a smal l par t o f th e diagram . 3.2. 9 ALREAD YOptig n Result s from

previou s simulation s ca nb e utilize dwit hth e ALREAD Y option . T o incorporat e result s fro m a previou s run , th e followin g condition s
mus t b e identica l i

nbot hruns : th e NMO C an dNO , scales , an

dth e city-specifi c options . Suc ha situatio ncoul doccu r when : A ninitia l ru

ni s terminate dbecaus e o f a time restriction ; Th e use r wishe s t o repea t th e runwit hth e PLO T optio nt o obtai na CALCOMP generate dplot ; o r Th e use r wishe s t o alte r th e tensio nfactor s use dinth e interpolatio n schemes ; Th e use r wishe s t o plo t a nisoplet hfo r a specie s othe r tha nth e firs t specie s specifie db

y th e SPECIE S option . T o inpu t th e result s o f previou s runs , the numbe r o f complete dsimulation s i s entere di

nth e firs t numeri c fiel d(Column s 11-20 ) o f th e ALREAD Yoption . Th e result s o f thos e simulation s mus t b e entere do nth e followin g line s i nth e
same orde r i

nwhic hthe y

ar e calculated . Eac hlin e contain s th e result s o f on e simulation . Fiel d1 (Column s 1-10 ) contain s th e initia l NMO C concentration , Fiel d 2 (Column s 11-20 ) contain s the initia l NO , concentration , an dFiel d3 (Column s 21-30 ) contain s th e resultin g maximu m 1-hou r averag e 0 , (o r othe r species ) concentration . I f a negativ e numbe r o f complete dsimulation s i s entered , the n OZIP M wil l rea dth e complete dsimulatio nresult s fro m a nexterna l fil e automaticall y

generate db

y th e OZIP M

from th e previou s run .

4 3P.5 5



### 4. 0 USINGTH E CBM- 4 IN OZIPM- 4 Th e carbo nbondconcep t (Whitten , Hogo , an dKillus , 1980 ) wa s develope d mainl y t o simplif y

chemica l kinetic s mechanis m us e i natmospheri c applica - tions . Therefore , th e simpl e procedure s develope dfo r earlie r version s o f th e carbo n bondmechanis m

use di nEKM A an dpublishe di

nsevera l document s can , fo r th e mos t part , b e applie dt o th e us e o f th e CBM-4 . Th e mos t recen t documenta - tio nfo r usin g carbo nbondchemistr y i nEKM A ca nb e foundi

nKillu s an

dWhitte n(1984) , Gipso n(1984) , an

dHog o an

dWhitte n(1985) . Th e detaile ddevelopmen t o f th e CBM 4 i s documente di

nGery , e t al (1988) . Th e carbo nbondmechanis m (CBM-4 ) i s actuall y

a hybri do f exp l ici t chemistry , surrogat e approximations , an dlumped/generalize dchemistr y designe dt o simulat e th e broa dfeature s o f urba nsmo g chemistry . Explici t chemistr y i s use dt o trea t th e inorgani c an

dcarbony l specie s plu s th e chemistrie s o f ethene , toluene , an d xylene . Surrogat e approximation s ar e uti l izedt o trea t mono-substitute daromatic s
suc ha s propy l benzen e an ddi-substitute daromatic s suc ha s diethy l benzene . Th e carbo nbondlumpin g metho di s use dprimaril y fo r paraffin s an

dolefins . Eac hpar t o f th e CBM- 4 chemistry , suc ha s th e inorgani c subse t o r th e ethen e chemistry , conform s t o curren t literatur e revie w studie s an

dha s bee nextensivel y teste dagains t smog chambe r dat a o f organics/NO , system s (Gery , e t al , 1988) . Inaddition , th e entir e CBM- 4 wa s use dt o simulat e a new serie s o f aut o exhaus t
an dsyntheti c aut o exhaus t experiment s involvin g a variet y o f conditions . Mos t
o f th e smo g chambe r experiment s use dfo r CBM- 4 testin g wer e performe dinth e outdoo r dual-chambe r facilit y o f th e Universit y

o f Nort hCarolina , whic hi s a well-characterize dchambe r wit hextensiv e analytica l capabilities . Th e CBM- 4 als o successfull y

simulate dmultipl e da y experiment s usin g a syntheti c urba n

4 4P.5 6



### mixtur e o f hydrocarbon s performe dinth e outdoo r dua l smo g chambe r a t th e Universit y

o f Californi a a t Riversid e (Gery , e t al , 1988) . Inthi s section , a descriptio no f th e CBM- 4 an dinformatio nfo r it s us e i n OZIPM- 4 i s presented . 4. 1 DEFAUL T CBM- 4 MECHANIS M Th e defaul t chemica l mechanis m implemente di

nOZIPM- 4 i s th e CBM- 4 mechanis m presente di

nAppendi xA . Th e CBM- 4 mechanis m consist s o f 3 4 chemica l specie s
an d8 2 chemica l reactions . Th e CBM- 4 contain s 9 primar y organi c specie s (se e Tabl e 1) .

TABL E 1 . CARBON

NUMBER S O F CARBON

BONDGROUP S FO

RPRIMARYSPECIE S

Carbo nBon

dGroup 

### PA R ET H OL E TO L XY L FOR M ALD 2 ISO P 

### N R Carbo nNumbe r (carbo natom s pe r molecule )



### 1 2 2 7 8 1 2 (acetaldehyde ) 

### 5

. 1

Th e specie s N

Rrepresent s tha t portio no f differen t molecula r specie s treate d
a s unreactive . Severa l specie s whos e concentration s d o no t vary (sucha s 0 : 

### an dN, ) ar e lumpe di

nwit hth e rat e constant . Th e defaul t concentratio no f H 2 

### 0
use di nth e CBM- 4 correspond s t o 5 0 percen t relativ e humidit y (20,00 0 ppm ) a t approximatel y

303°K . Th e CBM- 4 mechanis m

show ni nAppendi xA

i s tha t discusse db

y Whitte nan

d Ger y (1986 ) excep t tha t on e reactio nha s bee nadded . Th e followin g reaction , 4 5P.5 7

N R- N Rk- 1 min 1 ,
i s adde dt o accoun t fo r th e nonreactiv e species . 4. 2 DEFAUL T PHOTOLYSI S RAT E CONSTANT S Th e CBM- 4 chemica l mechanis m contain s 1 1 photolysi s reaction s tha t var y wit hsola r zenit hangl e (se e Tabl e 2) . The - photolyti c rat e constant s fo r N0 2
ar e store di

nOZIPM- 4 a s a functio no f zenit hangle . Thes e rates , whic hwer e derive db

y Jeffrie s an

dSexto n(1987 ) an

dGery , e t al . (1988) , ar e th e recommende d j-value s an

dar e give ni

nTabl e 3 . Th e defaul t value s represen t th e reactio n rat e constant s a t approximatel y 64 0 m abov e se a leve l (whic har e mor e representativ e o f th e entir e mixe dlayer) . Thre e o f th e photolysi s reaction s show ni nTabl e 2 (Reaction s 8 , 14 , an d 23 ) var y wit hzenit hangl e i na manne r simila r t o tha t o f NO , photolysis . Th e photolyti c rat e constant s fo r thes e reaction s canb e describe db y applyin g a singl e multiplicatio nfacto r t o th e N0 ? photolyti c constants . (Fo r example , th e multiplicatio nfacto r fo r Reactio n8 i s 0.053) . Seve no f th e reaction s i nTabl e 2 hav e photolysi s rate s tha t var y wit h zenit hangl e independentl y o f N0 : photolysis . Th e defaul t ratio s t o N0 2 photolysi s fo r fou r o f thes e reaction s (Reaction s 9 , 38 , 39 , an d45 ) ar e store di

n0ZIPM 4 an dar e show

ni nTabl e 4 . A

multiplicatio nfacto r o f 1. 0 i s entere dint o th e rat e constan t slo t o f th e reactio nline s fo r thes e reactions . Tw o o f th e specie s show ni nTabl e 2 (OPEN

an dMGLY ) ar e expecte dt o photolyz e wit ha zenith-angl e dependenc e simila r t o tha t o f formaldehyd e photolysi s t o radical s (Reactio n38) ; HjO , ha s a zenith-angl e dependenc y tha t i s simila r t o th e photolysi s o f formaldehyd e t o stabl e product s (Reactio n39) . We therefor e



### 4 6P.5 8



### us e th e zenith-angle-dependen t ratio s give ni nTabl e 4 a s defaul t value s fo r thes e reaction s an

dmultipl y

th e resultin g rate s b y th e factor s give ni

nTabl e 2 . I f

new rate s othe r tha nthos e recommende di nTabl e 4 ar e used , th e factor s give n i nTabl e 2 ma y

hav e t o b e recalculate dt o maintai nth e same absolut e rat e constant . 4. 3 DEFAUL T VO C ANDNMO C REACTIVITIE S Th e organi c specie s i nth e CBM- 4 mechanis m

(se e Tabl e 1 ) ar e th e same a s thos e foundi

nth e CBM- 3 mechanis m

(Killu s an

dWhitten , 1984 ; EPA , 1984) , excep t tha t CAR B (fro

m th e CBM-3 ) i s divide dint o FOR M an dALD2 , AR O (fro

m th e CBM-3 ) i s divide dint o TO L an dXY L an dISO P i s added . Therefore , many o f th e procedure s describe db

y EPA (1984 ) fo r th e us e o f th e CBM- 3 i nEKM A appl y t o th e CBM- 4 mechanism . Tabl e 5 show s th e recommende dtransporte dNMO C concentration s i n th e surfac e laye r an

dalof t along wit hth e defaul t carbo nfraction s associate d wit hth e transporte dNMOC . Sinc e OZIPM- 4 doe s no t contai nan y defaul t concentration s fo r transporte dNMO C an dalof t NMOC , i t i s recommende dtha t th e concentration s show

ni nTabl e 5 b e usedwit hCBM- 4 whe nno specifi c measurement s
ar e available . Tabl e 6 contain s th e defaul t compositio nfo r th e 0600-090 0 NMO C mi xan dVO C emissions . Reactivitie s o f NMO C i nnumerou s citie s hav e bee ncompute dbase dupo nK ^ values . Ka , value s ar e rat e constant s whic hgiv e a measur e o f th e reactivit y
o f a clas s o f compound s wit hO H radicals . Th e weighte dsu m o f thes e K ^ value s give s a nestimat e o f th e overal l reactivit y o f th e NMO C mix .

4 7P.5 9

TABL E 2 . CBM- 4 Photolysi s Reaction s

Reactio n Numbe r


### 1 8 9 1 4

2 3 3 4 3 8 3 9 4 5
6 9 7 4 Multiplicatio n Reactio n

NO , + h v- N O + 0 0 , + h v- 0( J P ) 0 , + hv

- O('D ) NO , + h v-

» 0.8 9 NO , + 0
. ( JP ) + 0.1 1 N O HNO , + h v- N O + O H H,0 , + h v- 20 H FOR M + h v- 2HO , + C O FOR M + h v- C O ALD 2 + h v-

r XO , + 2HO , + + FOR M OPE N+ h v- C,0 3 + HO , + MGL Y + h v-

C,0 , + HO , + 

### 89 0

C O
C O C O Photolysi s

Rat e

Se e Tabl e 3 0.05 3 x k , Se e Tabl e 4 33. 9 x k ,

0.197 5 x k , 0.18 9 x k „ Se e Tabl e 4 Se e Tabl e 4 Se e Tabl e 4

8.4 0 x k

J 8 8.9 6 x k M

4 8P.6 0



### TABL E 3 . NO , PHOTOLYSI S RAT E CONSTANT S STORE DI N OZIPM- 4

Zenit hRat e Angl e Constant *
0 0.589 3 1 0 0.585 1 2 0 0.571 3 3 0 0.547 0 4 0 0.509 3 5 0 0.453 7 6 0 0.374 0 7 0 0.257 8 7 8 0.134 1 8 6 0.024 2
*Unit s ar e min' 1



### 4 9

### TABL E 4 . PHOTOLYSI S REACTIO N RAT E RATIO S STOREDI HTH E OZIPM-4 *

i n O Zenit hAngl e

0 1 0 20 3 0 4 0 5 0 60 70 7 8 86 ALD 2

C O• • hV - X0 2 • 2H0 2 • FORH
5.89E- 4 5.78E- 4 5.50E- 4 5.03E- 4 4.36E- 4 3.55E- 4 2.57E- 4 1.59E- 4 8.95E- 5 8.26E- 5 FOR H+ hV - C O 2

5.75E- 3 5.73E- 3 5.67E- 3 5.54E- 3 5.35E- 3 5.08E- 3 4.63E- 3 4.01E- 3 3.48E- 3 5.25E- 3 FOR

M • hV - 2H0 2 + C O

3.70E- 3 3.66E- 3 3.56E- 3 3.40E- 3 3.14E- 3 2.80E- 3 2.33E- 3 1.74E- 3 1.28E- 3 1.78E- 3 0 3 • hv •> O 1 D

4.61E- 3 4.48E- 3 4.13E- 3 3.59E- 3 2.87E- 3 2.08E- 3 1.24E- 3 5.43E- 4 2.24E- 4 1.24E- 4



### Source : Jeffrie s an

dSexton(1987 ) , /Ratio s ar e relative t o N0 2 

### photolysis . Rat e constant s ar e determinedb y multiplyingthe rati o b

y k ,

3 

### Thes e ratios , multipliedby

the facto r inTabl e 4- 3 ar e als o use dfor H 2 

### 0 2 

### . 'Thes e ratios , multiplie db

y the factor s i

nTabl e 4-3 , ar e als o usedfor MGL V an dOPEN . M O *



### 2

5 0P.6 2

Th e •(« , valu e fo r a

nNMO C mi xca nb e determine dusin g th e followin g equation : j£" - PA R* 120 3 + ET H * 596 0 + OL E * 2100 0 + ALD 2 * 1200 0 + TO L * 130 7 + XY L * 452 5 + FOR M * 1500 0 + ISO P * 2840 0

Where : K^~i s th e averag e K^ , valu e fo r th e NMO C mix , PA Ri s th e fractio n o f th e mi xconsidere dparaffi n(base dupo nth e CBM- 4 splits) .

A typica l cit y

i s expecte dt o hav e a naverag e K^ , valu e tha t fall s betwee n 270 0 an d360 0 min' 1 . I f th e compute d« « value , base dupo na city-specifi c NMO C distribution , doe s no t fal l withi nthi s range , th e proces s o f determinin g th e city-specifi c distributio nshoul dfirs t b e redon e t o chec kfo r errors . I f n o
error s ar e found , th e defaul t reactivit y shoul db e utilized . Request s t o us e reactivitie s othe r tha nth e defaul t mus t be reviewe dan d approve db

y th e appropriat e Regiona l Offic e i ncooperatio nwit hth e Mode l Clearinghouse . 4. 4 SELECTINGA

USER-SPECIFIElToRGANI C REACTIVIT Y I f 0600-090 0 ambien t organi c measurement s ar e available , the y ma y be use d t o calculat e organi c reactivit y rathe r tha nusin g the defaul t carbo nfraction s tha t ar e store di

nOZIPM-4 . Tabl e 7 show s how t o determin e th e CBM- 4 fraction s fro m 0600-090 0 a.m . ambien t dat a reporte di nppmC . Th e followin g paragraph s describ e step-by-ste pho w th e organi c reactivit y i s define dbase donth e ambien t measurement s show ni nTabl e 7 . Befor e w e discus s thes e procedures , we not e that , i ngeneral , ambien t measurement s ar e reporte d i nth e following-units :

pp m (part s pe r million ) pph m (part s pe r hundre dmillion )



### 5 1P.6 3



### TABL E 5 . DEFAUL T NMO C FRACTION S USE DI N OZIPM- 4
Carbo nFractio n Transporte d Specie s Surfac e Laye r Alof t Laye r ET H ' * 0.03 4 OL E * 0.02 0 ALD 2 * 0.03 7 FOR M * 0.07 0 TO L * 0.04 2 XYL * 0.02 6 PA R* 0.49 8 ISO P " * 0.00 0 N R* 0.27 3 Tota l NMO C * 0.03 0 (ppmC )

•Assume t o b e zero .

5 2P.6 4



### TABL E 6 . DEFAUL T COMPOSITIO N FO RINITIAL NMO C MI XANDVO C EMISSION S

Bon dTyp e Defaul t Valu e ET H 0.03 7 OL E 0.03 5 ALD 2 0.05 2 FOR M 0.02 1 TO L 0.08 9 XYL 0.11 7 PA R0.56 4 ISO P

_0.00 0 N R0.08 5

•Fractiona l value s (i.e. , 3. 7 percen t o f th e carbo ni na measure dNMO C concentratio ni s assume dt o b e Ethylene )

5 3t ?

• —— i r o 1 o - ro3::rH-Goroosrooz*-corororo. — o » fDfD l t I f P •< < 1 1 1 l « 1 1 « < 2

_r o —

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- ^ 3 f t 3"= r 3 1 3 " O ) f & 3 " ,3 " -^,3 " ff O J>«r>fPfP»<*<fD—(fP33*<*<3*<fPf P

— •" » f t ro< < 3—'— ' TX I t » -- ' f D —<3 3 O -> •3 " • < 3 • < n ft ) — •

— ' Cf O O .3 " f D 3 " > < 3 ft ) — ' f t XTS

0) n> ft> s 3 3 f D f D <- f

0. ' 3 f D

© • — © © c o •• > r o H c o o o e n

•^ i -s i o o c o

o o o o o r o o o JiOM H »« j e n v o

. o o -p . «s j © o o r o N H c o ©

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© r o © » o fP3-3 - —o > "OT J rtcr o r t C O — ' fPf P 3 3 fPfP3~ C O i
•O X X fDf D 3 3 « < f t 3 C O 3 " & B > f t * ( t rt- ' f D f D 1 I t 3 3 3-Jt - 0)0)0* 3 X(Pf P * < * 33Cf P o> — ' I t ( t f t 3 c r o > f P C 3 f t f P o > * 3 * f D - D • —!• - : ' f D <' > */•-.»
. 3 t > O C S rt- o c r c O i I t C f t 3 3 r t f P f P f t f P 3 0> 3 f P 3 f P f P

oooooooooooooooooroo o rouu^A^vi»r^MO>cnooi\> M OlOHAKOAAOOOWVt^O U c o r o i —© i —»- •r o cr. C O

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5 5P.6 7

Tabl e 7 b

Compound


### OL E PA R TO L XY L FOR M •ALD 2 

### ET H N R NMO C

pp m

.02 6 1.29 0 .03 0 .02 0 .00 3 .00 3 .04 3 .21 3 Carbo n Numbe r *** *


### 2 1 7 8 1 2 2 1 NMO C ppm C

.05 2 1.29 0 

### .2 1 .16 0 .00 3 .00 6 .08 6 .21 3 Carbo n Fractio n

.02 6 .63 8 .10 4 .07 9 .00 1 .00 3 .04 3 .10 5 Ad j

Carbo n Fractio n

.02 6 .63 8 .10 4 .07 9 .02 1 .03 3 .04 3 .10 5 Compound



### OL E PA R TP L XY L FOR M ALD 2 

### ET H N R Final* *

Carbo n Fractio n

.02 5 .60 8 .09 9 .07 5 .02 0 .03 1 .04 1 .10 0

*** * Fro

m Tabl e 1

* * - Total s adjuste dt o 1.0 0

5 6jy> 8



### ppb(part s pe r billion ) liq/m 1

### (microgram s pe r cubi c meter ) I nsome cases , th e organi c compound s ma y b e expresse di

nth e abov e unit s eithe r a s a molecula r tota l o r a s a carbo ntota l (i.e. , th e actua l molecula r weigh t o r th e molecula r weigh t o f carbo ni s used) . Ingeneral , chemica l mechanism s ar e base donmolecula r reaction s o r th e numbe r o f molecule s involved . Th e firs t thre e unit s presente dabov e ar e i nth e unit s necessar y fo r mos t chemica l mechanisms . Th e fourt huni t i s a mas s uni t an dmus t b e converte dt o molecula r units . Th e followin g equatio ni s use dt o conver t mas s unit s t o molecula r units :



### C* . = Q-QJ4 4 xC^. 5


### wher e M W i s th e molecula r weigh t i nunit s o f g/mol e o f th e organi c compound . Molecula r weight y

fo r man y

compoundar e give ni nTabl e B-1 . Th e conversio n factor , 0.0244 , i s base do nth e perfec t ga s law a t 25° C an

dstandar dpressure . T o obtai nmolecula r unit s a s carbon , on e need s t o multipl y b y th e numbe r o f carbon s foun di

nth e organi c compound . (Als o show ni nTabl e B-1) . Tabl e 7 show s ambien t organi c compoundmeasurement s i nth e Lo s Angele s
are a (Calvert , 1976) . Th e measurement s ar e reporte di nmola r unit s (ppm

C i n thi s case) . T o obtai nth e carbo nbondreactivity , on e mus t conver t th e reading s fro m ppm C t o ppm . Thi s i s don e b y dividin g th e concentratio ni nppm C b y th e carbo nnumbe r fo r th e compound . Onc e th e concentration s ar e i nppm , on e mus t assig nth e individua l carbo natom s o f eac horgani c compoundt o th e appropriat e carbo nbondgrou paccordin g t o Tabl e B- 2 i nAppendi xB . Tabl e B- 2 show s th e assignmen t fo r eac hcarbo nato m fro m th e molecula r compoundt o th e carbo nbond

5 7P.6 9

groups . Fo r example , th e organi c compoun dC 3 H , (Propene ) show ni nTabl e 7 comprise s on e OL E an don e PAR . Thus , o f th e thre e carbo natom s o f propene , tw o
ar e assigne dt o OL E (becaus e eac hOL E grou pcontain s two carbons) , an don e i s assigne dt o PAR . T o calculat e th e concentration s o f OL E an dPA Rfro m propene ,
w e multipl y

th e numbe r o f eac hbon dgrou pb

y th e concentratio no f propen e (i n ooml . Thus , th e propen e concentratio no f 0.008 7 pp m produce s 0.008 7 pp

m o f OL E

an d0.008 7 pp

m o f PAR . A s anothe r example , Appendi xB show s tha t benzen e (C SH„ ) consist s o f fiv e N

Ran don e PAR . Applyin g th e abov e procedures , w e obtai n0.04 1 pp m o f N Ran d0.008 2 pp

m PAR . Thi s procedur e i s followe dfo r al l th e organi c compound s identifie di n Tabl e 7 . Th e carbo nbondconcentration s ar e summe da s show ni nTabl e 7b . Th e OZIPM- 4 require s al l organi c fraction s t o b e ona "pe r carbon " basis . Thus , the concentration s fo r eac hcarbo nbondgrou par e multiplie db y th e appropriat e numbe r o f carbon s reporte di nTabl e 2 . Thes e value s ar e the ndivide db y th e tota l NMO C (2.02 1 ppmC ) t o obtai ncarbo nfractions . Inth e exampl e presente di nthi s section , onl y surrogat e carbonyl s coul d b e include di

nth e speciation s becaus e carbony l compound s pe r s e (aldehyde s an d ketones ) coul dno t b e detecte db y th e instrumentatio nused . Carbony l compound s
wer e undeniabl y

present , however , an dthe y ar e significan t contributor s t o smo g chemistry . Therefore , som e estimate s o f carbony l emission s mus t b e made . Investigation s b

y Killu s an

dWhitte n(1984 ) show tha t a nestimate d5 percen t o f th e tota l organic s ar e carbonyls . O f th e 5 percent , 6 0 percen t i s ALD 2 an d4 0 percen t i s FORM . Thus , fo r thos e case s i nwhic hther e ar e no measure dcarbonyls ,
w e mus t ad

d5 percen t carbonyl s ( 3 percen t ALD 2 an d2 percen t FORM ) t o th e tota l organics . Th e carbo nfraction s adjuste dfo r th e carbonyl s ar e show ni nth e fift h colum no f Tabl e 7b . Pleas e not e tha t th e individua l carbo nfraction s mus t be
5 8P.7 0



### adjuste ds o tha t the y

tota l 1.0 0 an

dno t 1.05 . Fo r thi s example , th e number s show ni nColum n5 o f Tabl e 7 bwoul db e inpu t int o th e OZIPM- 4 program i f th e use r chos e no t t o utiliz e OZIPM-4' s defaul t assumption s concernin g reactivity .

5 9P.7 1

5. 0 USER' S GUID E Thi s chapte r describe s th e forma t o f th e inpu t data , th e type s o f error s
an dwarnin g message s tha t ca noccur , an dsome specia l problem s t o b e considere d i nth e installatio no f th e OZIPM- 4 program ona specifi c facility . Th e system

structur e o f OZIPM- 4 i s show ni nFigur e 4 . Th e program retrieve s card-imag e input , an dproduce s lin e printe r output . Two.optiona l outpu t file s
ma y als o b e generate db y th e user . Th e firs t i s a noutpu t fil e tha t contain s th e dat a neede dt o produc e a nisoplet hdiagra m

o na noff-lin e plotter . Th e
secondfil e contain s informatio no nth e chang e i

nozon e a s a functio no f VO C emissio nreductio ntha t i s produce db y th e EKM

A routine . A simulatio nsectio ncontrol s th e individua l mode l simulations , an da n interpolatio nan

dplottin g sectio ncontrol s th e generatio no f isoplet hdiagrams . OZIPM- 4 als o contain s a sectio nt o directl y estimat e th e VO C contro l calculations ; th e EKM A routine . 5. 1 FORMAT O F INPU T DATA Th e option s i

nOZIPM-4 , whic hwer e discusse di nSectio n3 , ar e liste di n alphabetica l orde r i nTabl e 8. " Fo r eac hoption , th e location s o f th e differen t parameter s onth e appropriat e line s ar e shown . Th e orde r o f th e OZIP M option s i nth e inpu t fil e i s no t importan t excep t fo r th e ISOPLETH . EKMA . an dCALCULAT E options . An y

option s t o b e activate dfo r simulation s mus t preced e thes e thre e options . On e othe r exceptio ni s tha t th e TIM E optio nmus t preced e th e DILUTIO N option . Consequently , th e followin g orde r i s recommended . Option s use dt o inpu t city-specifi c informatio n(£LA£E , TIME . DILUTION , I£M£ERATURE , AMISSIONS , CREDIT , REACTIVITY . TRANSPORT . BIOGENIC S an dWATER , etc. ) shoul db e

"Fo r convenience , Tabl e 8 appear s a t th e en do f thi s section .
6 0

# CAR D IMAG E INPU T

OZIPM- 4

PRINTOU T OPTIONA L OFF-LIN E PLOTTE R

FIGUR E 4 SCHEMATI C O F OZIPM- 4 SYSTE M

^ iP.7 3

liste dfirst . Th e nex t grou po f option s affect s some o f th e operationa l aspect s
o f OZIP M

(ACCURACY . ALREADY . PLOT , an dSPECIES) . Th e option s tha t actuall y initiat e simulation s follo w (CALCULATE , EKMA , and1SJ1ELETH) . Th e las t lin e o f

any inpu t se t mus t b e a blan kline . A s show ni nTabl e 8 , al l four-lette r cod e word s (e.g. , TITL . PLAC . etc. ) tha t activat e a

noptio nmus t begi ni nColum n1 . Eac hlin e containin g suc ha cod e wor dha s u

pt o si xnumeri c fields , eac hte nspace s wide , beginnin g i nColum n 11 . A nentr y canb e mad e anywher e i na field , bu t a decima l poin t mus t alway s b e used , eve nwit hintege r values . Additiona l dat a line s ar e asso - ciate dwit h

some options . Thes e line s mus t follow th e optio nlin e i

nth e orde r specifie d i nTabl e 8 . Fo r example , th e lin e containin g th e titl e mus t immediatel y follo w th e lin e wit hth e cod e wor dTITL . Dat a line s tha t d o no t begi nwit hcod e word s
ca ncontai nu

pt o seve n10-colum

nfield s beginnin g i nColum n1 . Simila r t o th e numeri c field s o

nline s wit hcod e words , entrie s ma y b e mad e anywher e i nth e fiel dprovide da decima l i s used . A s previousl y

described , mos t parameter s hav e associate ddefaul t values . Thes e ar e indicate db y D F i nTabl e 8 . I f no entr y i s mad e i

na numeri c field , th e defaul t valu e wil l b e assumed . Fo r example , i f th e onl y entr y mad e o nth e PLAC E lin e i s i

nth e firs t numeri c field , th e defaul t valu e o f 118.2 5 wil l b e
assume dfo r th e secondnumeri c field , 7. 0 fo r th e third , etc .

5. 2 PROGRAM-GENERATE DERRORMESSAGE S Thi s sectio ndiscusse s potentia l outpu t erro r message s produce db y 0ZIPM 4 . Two type s o f erro r message s ca nb e generated : (1 ) Fata l erro r messages--message s cause db y problem s tha t immediatel y hal t an y furthe r computation .



### 6 2(2 ) Nonfata l erro r messages—message s cause db y problem s tha t d o no t caus e animmediat e hal t incomputation . Thes e type s o f message s ar e discusse dnext . 5.2. 1 Fata l Erro r Message s Seve nfata l erro r message s ca noccu r during OZIP M runs . Fiv e o f thes e
occu r becaus e th e integratio nscheme canno t procee dfurther . Description s o f eac hmessag e ar e include dhere : TH E LOWES T OZON E LIN E CANNO T B E PLOTTED ; INCREAS E TH E MAXIMU M HC ANDNO , VALUE S
I f th e concentratio no f ozon e predicte dfro m th e maximu

m NMO C an

dNO , concentration s (liste donth e ISOPLET H line , o r NMO C = 2.0 , NO , = 0.1 4 b y default ) i s les s tha nth e lowes t ozon e isoplet hlin e t o be plotted , th e program wil l stop . Th e use r canfi xthi s problem eithe r by

increasin g the maximu m NMO C o r NO , concentration s o r by reducin g th e concentration s at whic hozon e isopleth s ar e t o b e plotted . N O LINE S CA

N B E PLOTTED ; BACKGROUN DONL YPRODUCE S TO O MUC H PZON E - PPM Thi s messag e i s th e opposit e o f th e previou s message . I f th e amoun t o f ozon e predicte da t NMO C an dNO , concentration s o f 0. 0 i s greate r tha nth e highes t ozon e isoplet hlin e desired , th e program wil l stop . Th e followin g erro r message s al l stem fro m problem s encountere di nth e integratio nscheme routines : PROBLE M APPEAR S UNSOLVABL E WIT H GIVE N INPU T INTEGRATION

HALTE DB

YDRIVE RA T T = , EP S TO O SMAL L T O B E ATTAINE D FORTH E MACHIN E PRECISION KFLA G= - 2 FRO

M INTEGRATORA T T - , H = TH E REQUESTE D ERRORI S SMALLE RTHA N CA N B E HANDLE D KFLA G= - 3 FRO

M INTEGRATORA T T = CORRECTO RCONVERGENC E COUL D NO T B E ACHIEVE D ILLEGAL INPUT..EPS.LE. O I f any o f thes e message s occur , th e use r shoul dtr y th e followin g procedures :



### 6 3P.7 5

Chec kinpu t t o b e sur e al l dat a ar e correc t (e.g. , chec kNMO C an dNO , value s ona CALCULAT E option , chec kfo r negativ e erro r toleranc e onth e ACC Uoptio n line , an ds o on) . Rais e th e valu e o f th e erro r tolerance , i f necessary , b y adjustin g th e valu e i nth e thir dfiel do f th e ACCURAC Yoption . Redefin e th e densit y o f simulation s (e.g. , chang e the'maximu m NMO C o r NO , concentrations) . A s a las t resort , alte r th e simulatio ncondition s slightl y (e.g. , chang e emissions , dilution , etc.) . 5.2. 2 Nonfata l Erro r Message s On e nonfata l erro r messag e ca noccu r i nOZIPM- 4 runs . Th e use r ma y wis ht o redefin e th e situatio n(i.e. , th e limit s o f th e diagram ) o r t o chec k th e inpu t data . TH E OPTION S INSTRUCTION CANNO T B E PROCESSE D I f thi s messag e occurs , th e use r shoul dchec kfo r a nerro r i

nth e inpu t data . 5. 3 COMPUTE RCONSIDERATION S Th e OZIPM- 4 program

consist s o f on e mai nprogram an d5 5 subprograms . I t require s abou t 30,00 0 16-BI T word s o f cor e i na PRIM E 75 0 compute r system . Typica l runtime s wit hth e ISOPLET H optio nonth e IB M 309 0 compute r ar e usuall y les s tha n5 minutes . Complet e listing s o f th e sourc e cod e ar e show ninVolum e 2 . Als o include dinOZIPM- 4 ar e fiv e call s t o CALCOM P subroutines . Th e followin g paragraph s discus s specia l languag e considerations , us e o f CALCOM P routines , an dcompute r contro l language . 5.3. 1 Languag e Consideration s Althoug hOZIPM- 4 ha s bee nwritte nt o conform wit hANS I standar dFORTRA N language , certai nfeature s o f th e cod e i nOZIPM- 4 ar e no t compatibl e onal l compute r systems . Th e variabl e UROUNDi nBLOC KDATA

shoul db e se t t o th e round of f erro r associate dwit heac hcomoute r system . Currently , UROUN Di s se t t o th e 6 4P.76
.

round-of f erro r o f 2. 4 xIO' 7 associate dwit ha PRIM E 75 0 compute r system . T o
rese t UROUND , lin e B5 5 i nth e BLOC KDAT A

routin e shoul db e change da s follows : DAT A UROUND/user' s round-of f error / UROUN Di s calculate dfro m th e numbe r o f significan t digit s (N ) use dfo r th e mantiss a o f a floatin g poin t constant :

UROUND- 2* \ Fo r th e PRIM E 75 0 computer , eac hwor dcontain s 3 2 BITs , o f whic h2 2 ar e use d fo r th e mantissa . Thus , 2" a i s equa l t o approximatel y 2. 4 x10*' . Thi s i s th e valu e currentl y

se t i nOZIPM-4 . Anothe r variabl e i

nOZIPM- 4 tha t i s machine-dependen t i s EXPMAX , whic hi s foundi nsubroutine s CURV 1 an dKURV1 . Thi s variabl e represent s th e maximu m possibl e valu e fo r th e exponen t o f e . Fo r th e PRIM E computer , th e rang e o f th e
rea l constant s i s fro m 10' " t o 10 M . Hence , th e maximu m valu e fo r th e exponen t

o f e i s

i.e. , EXPMA

Xi s 87. 4 fo r th e PRIM E computer , th e valu e currentl y se t in0ZIPM 4 . T o rese t EXPMAX , th e use r mus t chang e lin e B5 5 i nBLOC K DAT A accordingly : DAT A EXPMAX/user' s maximum exponent / Th e OZIPM- 4 print s th e inpu t fil e o nth e outpu t fil e s o tha t user s ca neasil y
se e any problem s wit hth e inpu t file . T o d o this , th e inpu t fil e (FORTRA N uni t 5 ) mus t b e rewound . Some compute r system s d o no t allow a rewindoptio no nth e inpu t file . I f thi s i s th e case , line s A125-A13 6 inth e MAI N routin e shoul db e take nout . Some compute r system s d o no t allo w argument s t o b e i

na mixe dmod e (i.e. , a REAL variabl e declare da s INTEGE Ri nseparat e subroutines) . I f thi s



### 6 5P.7 7

i s th e case , lin e AG1 3 i nsubroutin e NSSFA C mus t b e modifie dt o b e REA L instea d

o f INTEGER . 5.3. 2 Us e o f CALCOM P Routine s Th e CALCOM P routine s require db y OZIPM- 4 ar e Subroutin e PLO T (XX,YY,IX ) PLOT S (XX,UU,IX ) SYMBO L (XX,YY,HT,ITX,ANG,NCH ) ' NUMBE R(XX,YY,TC,FPN,ANG,NDEC ) NEWPE N (IPEN ) Fo r users withou t acces s t o thes e CALCOM P routines , dumm y routine s ma y

b e neede d t o ru nOZIPM-4 . T o generat e th e dumm y routines , th e use r mus t hav e th e followin g line s fo r eac ho f thes e CALCOM P routines :

SUBROUTIN E (argumen t list ) RETURN END Fo r users wit hacces s t o standar dCALCOM P routines , no modification s t o OZIPM 4 ar e required . User s shoul dchec kt o ensur e tha t th e fiv e routine s i nthei r system hav e th e sam

e name s a s thos e give nabove . Contro l Language - Sinc e the jobcontro l languag e necessar y t o ru nOZIPM 4 i s differen t fo r eac hcompute r system , onl y th e file s require db y th e program
ar e presente di

nthi s section . Tabl e 9 lists th e file s an dth e FORTRA

N fil e uni t number s use db

y OZIPM-4 .



### 66TABL E 8 . INPU T FORMA T FO ROZIPM- 4 OPTION S

Optio nLin e No . Colum n Content s

ACCURAC YIncreas e o r reduc e th e mathematica l accurac y o f th e isoplet h diagram b y usin g mor e o r le.s

s accurat e interpolation , etc .
1- 4 11-3 0 31-4 0

41-5 0

51-6 0

61-7 0 ACC U

No t read
Erro r toleranc e i

nth e numerica l integratio nroutine , fro m 0. 1 t o 0.00001 ; (DF » 0.003 ) Tensio nfacto r fo r hyperboli c splin e function s use di

nfirs t stag e o f interpolatio nfro

m 0.00 1 t o 50. ; (DF 

### 1 ) Tensio nfacto r fo r hyperboli c splin e function s usedi

nplottin g isoplet hline s (hig htension s leadt o straigh t line s draw nbetwee nth e point s obtaine dfro m the firs t stage) , fro

m 0.00 1 t o 50. ; (DF - 1 ) I f an y nonzer o valu e i s entere di nthi s field , simulation s wil l terminat e afte r an y ozon e maximum ; n o entr y produce s result s ove r th e tota l simulatio nperio d



### 6 7P.7 9

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

ALREADY * Includ e result s from a previou s run . 1 1- 4 ALR E

11-2 0 Numbe r o f previou s simulation s t o b e inpu t

I f th e numbe r i s positive , the nrea dth e followin g lines . I f th e numbe r i s negative , the nreadpreviou s simulatio n result s fro

m a nexterna l fil e 1-1 0 NMO C concentratio n 11-2 0 NO , concentratio n 21-3 0 Maximu

m 1-hou r averag e ozon e concentration , pp

m 31-4 0 Maximu

m 1-hou r averag e 41-5 0 concentration s (ppm ) o f an y 51-6 0 othe r specie s fo r whic h 61-7 0 isopleth s ar e t o b e constructed . Thes e

value s ar e optiona l dependin g o nth e numbe r o f specie s declare do nth e SPECIE S line . (Mus t b e i

nth e sam

e orde r a s liste d onth e SPECIE S line. )

*Ca nonly

b e use dwit hthe ISOPLET H options .



### 6 8P.8 0



### TABL E 8 (Continued )

Optio nLin e No . Colum n Content s

BIOGENIC S Allo w

fo r post-080 0 biogeni c emissions . I f th e BIO Goptio ni s no t used , default s ar e no post-080 0 biogeni c emissions , an dno transporte dsurfac e concentration s an dalof t concentration s o f biogenics . 1 1- 4 BIOG

11-2 0 Numbe r o f emissio nhours . Mus t b e equa l t o

numbe r o f hour s se t inEMI S o r MAS S options . (Expresse da s a negativ e number ) 21-3 0 Ente r th e numbe r o f biogeni c specie s

(DF»0 , max=5) . 31-4 0 Initia l mixin g height . Use dt o conver t

mas s unit s i

nkg/km 2 

### t o ppm . Unit s mus t b e i nmeters .
Th e nex t se t o f line s ar e repeate dfo r eac hbiogeni c species , 2 + 1- 4 Specie s name . (Note : I f Isopren e i s use d

the nth e defaul t name shoul db e ISOP) . 11-2 0 Fla g t o trea t biogeni c specie s a s a

specifi c molecula r specie s o r a s Carbo n Bon dI V specie s (Ente r a nonzer o valu e i n orde r t o trea t th e biogeni c specie s a s CB I V species) . Note : Isopren e i s th e onl y biogeni c specie s currentl y treate d specificall y

i nth e CB-I V

mechanism . 21-3 0 Present-da y

concentratio ntransporte di n th e surfac e laye r (DF=0 ) 31-4 0 Present-da y

concentratio ntransporte d alof t (DF = 0.0 ) 41-50* " Percen t chang e i nbiogeni c emission s fo r th e futur e yea r

No t usedwit hCAL C an

dISOP ootions .

6 9P.8 1

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

51-60* * Future-yea r concentratio ntransporte di n th e surfac e laye r (DF=0 ) 61-70* * Future-yea r concentratio ntransporte d

alof t (DF = 0.0 ) 71-8 0 No t read 3 + 1-1 0 Specie s molecula r weigh t (Unit s o f gm/moles ) 4 + 1-1 0 I f a nonzer o valu e i s entere do n (optional ) 11-2 0 column s o f lin e 2 , th e specie s profile s b y bondgrou po f th e biogeni c specie s i s entere dhere . 11-2 0 Th e specie s profile s shoul db e i nth e followin g order : ETH , OLE , ALD2 , FORM , TOL , XYL , PAR , an

dNR .

61-7 0 Continu e onnex t lin e (i f necessary) . 71-8 0 No t rea d 5 + 1-1 0 Present-da y hourl y biogeni c emission s (kg/km 2 ) 11-2 0 (continu e o nnex t lin e i f necessary )

61-7 0

"Not usedwit hCAL C an dISO P optio n



### 70TABL E 8 (Continued )

Optio n Lin e No . Colum n Content s

CALCULAT E Perfor m a singl e simulatio nwit hth e initia l NMO C an dNO , concentration s specifie donthi s line . 

### 1 1-

4 CAL C 11-2 0 21-3 0 31-4 0

41-5 0

51-6 0 NMO C concentratio n

NO , concentratio n Informatio noption ; entr y o f an y positiv e valu e wil l resul t i n printin g o f th e compute d concentration s o f al l species , th e rat e o f chang e o f al l species , reactio nrates , etc . Photolysi s constant s ar e als o printe d Time (i nminutes ) o f th e simulatio n concentration s o f kineti c mechanis m (DF » 60 ) fro m th e beginnin g a t whic hcompute d al l specie s i

nth e ar e t o b e printed ;
Time ste p(i nminutes ) fo r subsequen t printin g o f concentrations ; (D F = 60 )



### 7 1P.8 3

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

CREDI T Allo w fo r post- 8 a.m . C O emission s i nEKM A calculations . Default s ar e n o post- 8 a.m . C O emissions , 1. 2 pp m C O fo r th e 6- 9 a.m . measuremen t an d0. 5 pp

m C O aloft . 1 1- 4 CRE D

11-2 0 Ente r a negativ e numbe r t o defea t us e

o f thi s optio ni

nmultipl e runs . 21-3 0 Numbe r o f emissio nhour s entere da s a

negativ e number . Mus t be equa l t o th e numbe r o f hour s se t i nMAS S option . 31-4 0 Initia l mixin g height . 2 1-1 0 Specie s names . C O i s the onl y
name allowed . 11-2 0 6- 9 a.m . presen t da y C O concentratio n 21-3 0 No t rea d 31-4 0 Presen t da y C O transporte dalof t (D F

- 0.5 ) 41-5 0 Percen t change i nC O emission s an

d6 - 9 a.m . concentratio nfo r th e futur e yea r 51-6 0 No t rea d 61-7 0 Futur e yea r C O transporte dalof t 3 1-1 0 Presen t hourl y emission s o f C O 11-20.. . i

nkg/km 2



### 7 2P.8 4

TABL E 8 (Continued )

OptionLin e No . Colum nContent s

DILUTIO N

Rea dsite-specifi c informatio no ninitia l an

dfina l mixin g heights . Dilutio ni s calculate dusin g th e characteristi c curve . 1 1- 4 DIL U

11-2 0 Initia l mixin g height , ZI , meter s

(DF = • 51 0 m ) 21-3 0 Fina l mixin g height , Z2 , i nsame unit s a s initia l mixin g heigh t (D F = 63 0 m ) 31-4 0 Startin g time o f mixin g heigh t chang e

(240 0 hour ) (D

F = 0800 ) 41-5 0 Endin g time o f mixin g heigh t chang e

(240 0 hour ) (D

F = 1500 ) 51-6 0 Dilutio nrat e i npercen t pe r hou r befor e an

dafte r th e mixin g heigh t chang e (DF = 0 ) 61-8 0 No t rea d



### 7 3P.8 5

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

EKM A Use dt o perform a VO C emissio nrequiremen t calculation . 1 1- 4 EKM A 11-2 0 Base-cas e ozon e concentration , pp m 21-3 0 NMOC/NO , rati o (I f th e valu e i s

negative , th e base-yea r NMO C an dNO , level s hav e bee ndetermine di na previou s simulatio nan dar e entere d onlin e 3 . Future-yea r calculation s ar e performe dbase do nth e base-yea r NMO C andNO , levels. ) 31-4 0 Percentag e chang e i nNO , emissions ; positiv e numbe r fo r increase , negativ e numbe r fo r decreas e (DF = 0 ) 41-5 0 Chang e i

ntranspor t optio nindicator ; i f nonzero , inpu t lin e 2 i s require d (D F = 0 ) 51-6 0 Optio nt o generat e repor t o f chang e

i nozon e a s a functio no f chang e i n VO C emissions ; i f 1. , generat e tabula r report ; i f 2. , generat e tabula r repor t an

dwrit e result s on file . (DF = 0. , i.e. , no repor t o r fil e generated ) 61-7 0 Fla g t o d o a calculatio na t a

specifie dNMO C level . Th e NMO C leve l i s expresse da s a percen t chang e fro m th e bas e yea r level . Th e valu e i s place donlin e 2 , Column s 61-70 . Any nonzer o valu e ma y

b e use da s th e flag .



### 7 4P.8 6

TABL E 8 (Continued ) Optio n Lin e No . Colum n Content s

7 (optional ) 1-1 0

11-2 0

21-3 0

31-4 0

41-5 0

51-6 0 Concentratio no f ozon e transporte d

i nsurfac e laye r for post-contro l conditions , ppm ; (D

F = > base-cas e level) . A

negativ e valu e activate s th e us e o f the futur e ozon e transpor t estimat e curve s show ni nFigur e 3 . ( A valu e les s than-10 0 activate s th e us e o f th e dashe dlin e show ni n Figur e 3. )
Concentratio no f ozon e transporte d alof t fo r post-contro l conditions , ppm ; (D F - base-cas e level) . A negativ e valu e activate s th e us e o f th e futur e ozon e transpor t estimat e curve s show

ni nFigur e 3 . ( A

valu e les s than-10 0 activate s the us e o f th e dashe dlin e show ni nFigur e 3. ) Concentratio no f NMO C transporte di n th e surfac e laye r fo r postcontro l conditions , ppmC ; (D F = base-cas e level) . Concentratio no f NMO C transporte d alof t fo r post-contro l conditions , ppmC ; (DF = base-cas e level) . Concentratio no f NO , transporte di n surfac e laye r fo r post-contro l condition's , ppm ; (D

F = base-cas e level )
Concentratio no f NO , transporte dalof t fo r post-contro l conditions , ppm ; (DF = base-cas e level )



### 7 5P.8 7

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

Th e followin g lin e mus t b e included . EKM A 3 1-1 0 Measure d6- 9 a.m . NMO C (valu e use di n emissio ndensit y

calculations ) (DF = 0 ) 11-2 0 Measure d6- 9 a.m . NO , (valu e use di n emissio ndensit y

calculations ) (DF = 0 ) 21-3 0 Calculate dNMO C tha t yield s bas e cas e

0, . Declare di f a negativ e NMOC/NO , rati o i s entere do

nlin e 1(D F = 0 ) 31-4 0 Calculate dNO , tha t yield s bas e cas e

0 3 . Declare di f a negativ e NMOC/NO , rati o i s entere do

nlin e 1 (D

F = 0 ) 41-5 0 Chang e i

nNMO C leve l (percent ) fo r specifi c calculatio nafte r th e base yea r ozon e i s estimated . (Use donl y i f colum n61-7 0 o f lin e 1 i s nonzero. )



### 7 6P.8 8

TABLE 8 (Continued )
Optio n Lin e No . Colum n Content *
1SQPLET H

(optional )

Construc t isoplet hdiagram s fo r 0 3 an dothe r specie s accordin g t o th e inpu t parameters . Defaul t isopleth s fo r 0 , ar e 0.08 , 0.12 , 0.16 , 0.20 , 0.24 , 0.28 , 0.30 , 0.32 , 0.34 , 0.36 , an d0.4 0 ppm . ISO P Maximu m NMO C concentratio no nabsciss a o f isoplet hdiagram ; (D F - 2. 0 ppmC ) Maximu m NO , concentratio no nordinat e o f isoplet hdiagram ; (DF = » 0.2 8 ppm ) Numbe r o f ozon e isopleth s t o b e drawn , fro m 1 . t o 20. ; (DF - 11 )
Any nonzer o valu e wil l activat e th e printin g o f sola r noonan dth e time o f th e cente r o f th e maximu m 1-hour averag e ozon e concentratio nfo r eac hsimulatio n No t rea d
Numbe r o f specie s t o plot . Thi s numbe r correspond s t o th e numbe r o f specie s entere do

nth e PLO T option . Ozon e concentratio no f 1s t isopleth , pp

m Ozon e concentratio no f 2n disopleth , pp

m Ozon e concentratio no f 3r disopleth , pp m Ozon e concentratio no f 4t hisopleth , pp m Ozon e concentratio no f 5t hisopleth , pp m Ozon e concentratio no f 6t hisopleth , pp m Ozon e concentratio no f 7thisopleth , pp m 1- 4 11-2 0

21-3 0

31-4 0

41-5 0

51-6 0 61-7 0

1-1 0

11-2 0 21-3 0 31-4 0 41-5 0 51-6 0 61-7 0



### 77P.8 9

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

3 .1-1 0 Ozon e concentratio no f 8t h (optional ) . isopleth , pp m

61-7 0 Ozon e concentratio no f 14thisopleth , pp m 4 1-1 0 Ozon e concentratio no f 15th (optional ) . isopleth , pp m

51-6 0 Ozon e concentratio no f 20t hisopleth , pp m



### 78P.9 0

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

MASSEMIS S Use dt o suppl y mas s emissio ndensitie s throug hwhic hpost-080 0 emissio nfraction s ar e computed .

- 1 1- 4 MAS S

11-2 0 Numbe r o f hour s o f emission s (ma x= » 24.)(expresse da s a negativ e number ) 21-3 0 Initia l NMO C concentratio n(use dt o

comput e NMO C emissio nfractions , ppmC ) 31-4 0 Initia l NO , concentratio n(use dt o comput e

NO , emissio nfractions , ppm ) 41-5 0 Mixin g heigh t a t star t o f simulation , i n meter s Th e nex t lin e i s repeate di f mor e tha n7 hour s o f emission s ar e specified . Th e numbe r o f entrie s mus t equa l th e numbe r o f hour s specifie do

nlin e 1 . 2 1-1 0 VO C emissio ndensit y fo r hou r 1 , kg/kn f 11-2 0 VO C emissio ndensit y fo r hou r 2 , kg/km 2

61-7 0 VO C emissio ndensit y fo r hou r 7 , kg/km 2 Th e nex t lin e i s repeate di f mor e than7 hour s o f emission s ar e specified . Th e numbe r o f entrie s mus t equa l th e numbe r o f hour s specifie donlin e 1 . 3 1-1 0 NO , emissio ndensit y fo r hou r 1 , kg/km2 11-2 0 NO , emissio ndensit y fo r hou r 2 , kg/km2

61-7 0 NO , emissio ndensit y fo r hou r 7 . kg/km2

7 9P.9 1

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

PLAC E Inpu t city-specifi c informatio nonligh t intensity . Defaul t

- value s correspon dt o Lo s Angele s o nJun e 21 , 1986 .

- 1 1- 4 PLAC

11-2 0 Latitude , i ndecima l degree s nort ho f th e equato r (D

F = 34.058 ) 21-3 0 Longitude , i ndecima l degree s wes t o f Greenwic hmeridia n(D F = > 118.250 ) 31-4 0 Th e time zone , i nhour s fro

m Greenwic h mea ntime (DF » 7.0 ) 41-5 0 Th e yea r (DF = 1986 ) 51-6 0 Th e mont ho f yea r (D F = 6 ) 61-7 0 Th e numerica l da y o f mont h(D

F = 21 ) 2 1-2 4 Th e name o f th e plac e canbe (optional ) entere danywher e i ncolumn s 1-24 . Includ e thi s lin e onl y

i f a ne

w valu e i s entere d fo r th e latitud e o r longitud e o nth e previou s 1ine .



### 80P.9 2

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

PLO T Activate s th e drawin g o f th e isoplet hdiagram o na noff-lin e plotter .

- 1 1- 4 PLO T

11-2 0 Scalin g facto r fo r the locatio no f label s

fo r eac hozon e isopleth . Th e valu e shoul d b e betwee n0. 1 an

d0.8. ; (D

F = 0.6 ) 21-3 0 I f nonzero , a gri di s overlai dont o th e

diagram . I f th e valu e i s positiv e an d nonzero , a gri di s overlai do nth e diagra m usin g a differen t colo r pen(i f available ) I f th e valu e i s negative , a gri dwit hlin e o f differen t pattern s (e.g. , dot-dash ) i s overlai donth e plot . Th e absolut e valu e o f thi s numbe r correspond s t o differen t pattern s an

dtexture s 31-4 0 Lengt h(i ninches ) o f th e absciss a (NMO C

scale ) o f th e isoplet hdiagram ; (D F = 8.5 ) 41-5 0 Lengt h(i ninches ) o f th e ordinat e (NO ,

scale ) o f th e isoplet hdiagram ; (DF = 5.95 ) 51-6 0 Siz e (i ninches ) o f th e number s t o b e

printe donth e axe s an do f th e character s i nth e title ; (D

F = 0.10 ) 61-7 0 Th e siz e (i ninches ) o f th e label s o nth e ozon e isopleth s an

dth e divisio nmark s on th e axis ; (DF = 0.07 )



### 8 1P.9 3

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

REACTIVITY * Contain s site-specifi c informatio nonorgani c reactivit y an d NO : /NO , rati o fo r th e initia l 6- 9 A M mi xan dth e VO C an

dNO , emissions .

" 1 1- 4 REAC T

5-1 0 No t rea d 11-2 0 Th e numbe r o f primar y organi c specie s i

n th e chemica l mechanis m (DF=9 ) 21-3 0 Th e N0,/N0 , fractio n 2 1-1 0 Th e reactivit y fo r eac ho f th e organi c specie s (u

pt o 7 o

na line ) represente da s th e fraction s o f tota l NMOC . Continu e onnex t lin e (i f necessary ) 61-7 0 71-8 0 No t rea d

*I f th e REACTIVIT Yoptio ni s no t used , th e defaul t fraction s ar e thos e show n i nTabl e 5 , Sectio n4 .



### 82P.9 4

TABL E 8 (Continued )

Pptio nLin e No . Colum nContent s

S.PECIE S Thi s optio nallow s th e use r t o plo t isopleth s fo r an y specie s foundi nth e kineti c mechanis m o r t o plo t concentration-tim e profile s fo r specie s beside s 0 3 i f th e CALCULAT E optio ni s used . 1 1- 4 SPE C

11-2 0 Numbe r o f specie s t o be plotte d(D F = 1) . Ma x= 5 21-8 0 No t rea d 1- 4 Th e alphanumeri c symbo l o f the 11-1 4 specie s o f interest ; left 21-2 4 justifie d(DF = 0 3 [ozone] ) 31-3 4 41-4 4 45-8 0 No t rea d



### 83P.9 5

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

TEMPERATUR E A

varyin g diurna l temperatur e profil e ma y b e use ddurin g th e simulatio nwit hthi s option . Temperatur e value s shoul dbe i n unit s o f degree s K . Value s ar e rea dfo r th e initia l time an d -.a t th e en

do f eac hhour . I f ther e ar e nhours , ther e shoul dbe n+ 1 temperatur e values . 1 1- 4 TEM P (D F = 30 3 K ) 11-2 0 Numbe r o f hour s (n ) o f varyin g temperatur e

(MA X= 24 ) 21-3 0 Temperatur e a t time t = 0 31-4 0 Temperatur e a t time t = 1 hr 41-5 0 Temperatur e a t time t * 2 hr 51-6 0 Temperatur e at time t = 3 hr 61-7 0 Temperatur e a t time t = 4 hr 71-8 0 No t rea d

I f mor e tha n4 hour s o f values , continu e o nnex t 1in e 2 + 1-1 0 Continuatio no f temperatur e value s (optional )

61-7 0

71-8 0 No t rea d



### 84P.9 6



### TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

TIM E Rese t startin g an dendin g time s fo r simulation s wit hthi s option .

- 1 1- 4 TIM E

5-1 0 No t rea d 11-2 0 Startin g time fo r simulation s base do n24 - hou r cloc k(D

F = 0800 ) 21-3 0 Ending time fo r simulation s (D F = 1800) . Note : Maximu

m differenc e i s 2 4 hour s 31-8 0 No t rea d

8 5P.9 7



### TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

TITL E Inpu t a new title . I f thi s optio ni s no t activated , th e defaul t titl e i s "Standar dOzon e Isoplet hConditions. "

- - 1 1- 4 TIT L 2 1-7 2 Th e titl e ca nb e place danywher e i nlin e betwee ncolumn s 1-7 2

8 6P.9 8

TABL E 8 (Continued )
OptionLin e No . Colum nContent s

TRANSPOR T Optio nfo r site-specifi c informatio non0 3 , N0 2 , NMO C

transporte di

nth e surfac e laye r an di nthe ai r alof t tha t i s entraine da s th e mixin g heigh t rises . (I f TRA N optio ni s no t used , concentratio no f transporte dspecie s i s 0. )

-. 1 1- 4 TRA N 11-2 0 Transporte dozon e concentrationi nth e surfac e laye r (ppm ) 21-3 0 Ozon e entraine dfrom alof t (ppm ) 31-4 0 I f nonzer o an dpositive: * Transporte dNMO C i nth e surfac e laye r (ppmC ) 41-5 0 I f nonzer o an dpositive: * Tota l NMO C entraine dfro

m alof t (ppmC ) Transporte dNP , i

nth e surfac e laye r (ppm ) NP , entraine dfro

m alof t (ppm ) No t rea d I f a nonzer o negativ e valu e i s entere di

ncolumn s 31-4 0 o f th e TRA N line , th e tota l NMO C transporte di nth e surfac e laye r i s entere dher e (ppmC) . 11-2 0 Th e fractio no f th e tota l NMO C

fo r eac ho f th e organi c specie s transporte di

nth e surfac e laye r (shoul db e i

nthe followin g order : ETH , OLE , ALD2 , FORM , TOL , TYL , PAR , ISOP , an dNR . 61-7 0 Continu e onnex t lin e (i f necessary ) 71-8 0 No t rea d 

### 2 (optional ) 51-6 0

61-7 0 71-8 0 1-1 0

*Th e defaul t carbo nfraction s fo r NMO C transpor t i nthe surfac e laye r an dfo r NMO C alof t ar e give ni nTabl e 5 , Sectio n4 .



### 8 7P.9 9



### TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

TRANSPOR T 3 1-1 0 I f a nonzer o negativ e valu e

(optional ) i s entere di ncolumn s 41-5 0 o f th e tota l NMO C entraine dfro

m alof t i s entere dher e (ppmC ) 11-2 0 Th e fractio no f th e tota l NMOC

entraine dfo r each.o f th e organi c specie s entraine dfro

m aloft . Continu e o

nnex t lin e (i f necessary ) 61-7 0 71-8 0 No t read

8 8P. 1

TABL E 8 (Continued )

Optio nLin e No . Colum nContent s

WATE RAllow s fo r varyin g wate r concentratio nprofile . Thi s optio n

mus t follow

th e TEMPeratur e option . Informatio ni s entere d regardin g th e numbe r o f hour s wit hvaryin g wate r concentra -

— - tions , th e hourl y

relativ e humidity , an dth e atmospheri c pressure . Th e relative humidit y value s ar e readfo r th e initia l time an

da t th e en

do f eac hhour . I f ther e ar e n hours , ther e shoul dbe n+ 1 relative humidit y values . I f th e WAT E optio ni s no t used , th e defaul t wate r concentratio ni s 2000 0 ppm . 1 1- 4 WAT E (DF - 2000 0 ppm )

11-2 0 Numbe r o f hour s o f varyin g wate r

concentrations . (MA X= 24 ) 21-3 0 Ente r th e atmospheri c pressure ; unit s o f

inche s o f Hg . (DF=29.9 2 inche s o f Hg whic h i s equa l t o 1 atm ) 2 1-1 0 Relativ e humidit y (i npercent ) a t time t » 0



### 3+ (optional ) 11-2 0

21-3 0 31-4 0 41-5 0 51-6 0 61-7 0 71-8 0 1-1 0

61-7 0 71-8 0 Relativ e humidit y a t time t = 1 hr Relativ e humidit y

at tim e t = 2 h

r Relativ e humidit y

a t time t - 3 hr Relativ e humidit y

a t time t = 4 hr Relativ e humidit y

a t time t » 5 h r Relativ e humidit y

a t time t = 6 h r No t rea d Continuatio no f relativ e humidit y value s

No t read



### 89P. 2



### TABL E 8 (Continued )

Optio nLin e No ; Colum nContent s

bbbbA

blan klin e mus t follow al l inpu t line s t o terminat e th e program .

- 1 1- 4 Blank s

9 0TABL E 9 . FILE S USE DB YOZIPM- 4 P. 3

Fil e FORTRA N Rea d(R) / Unit * Writ e (W ) Commen t

Inpu t fil e 

### Outpu t fil e -» . ALREAD Yfil e

ALREAD Yfil e 6 9

8 W

W

R

PLO T fil e (optional )

EKM A fil e (optional ) 

### 1 1 Th e lin e inpu t dec k

(line-image ) Th e outpu t o f th e OZIPM- 4 result s Th e result s o f eac hsimulatio non a diagra m

poin t ar e writte nt o thi s fil e fo r late r us e Fil e o f result s from a previou s ru nuse dt o continu e a nisoplet h simulatio no r red o th e isoplet h Th e fil e t o whic hCALCOM P o r offlin e plot s ar e written . Th e fil e uni t i s dependen t onth e compute r system Th e fil e t o whic hEKM A calculation s ar e writte nwhe nth e rang e optio ni s invoke d

*Eac ho f th e uni t number s ca nb e change di nth e OZIPM- 4 program bymodifyin g th e followin g statemen t i nth e BLOC KDAT A

routine : DAT A IN/5/ , IOUT/6/ , IALN/9/ , IALL/8/ , IOZC/11/ .



### 9 1P. 4

6. 0 EXAMPL E OZIPM- 4 RUN S Thi s chapte r outline s fiv e OZIPM- 4 run s whic hcove r th e basi c outpu t options . First , a tes t cas e ru nwil l b e discusse ds o tha t a prospectiv e use r
ma y ensur e tha t OZIPM- 4 i s functionin g properl y o nth e user' s compute r facilities . Th e subsequen t section s dea l wit hpredictin g pea kozon e (CAL C option) , makin g a VO C contro l estimat e withou t generatin g a nisoplet hdiagram (EKM A option),.an

dgeneratin g a bas e an dfutur e cas e isoplet hdiagram (ISO P option) . 6. 1 OZIPM-4/CB- 4 TES T CAS E Whe ndealin g wit ha mode l an dchemica l mechanis m

a s comple xa s OZIPM- 4 an d CB-4 , specia l emphasi s shoul dbe place donensurin g tha t th e program i s operatin g correctly . Th e easies t wa y t o chec ki s b

y compariso nwit ha tes t
case . Th e inpu t dat a fo r th e tes t cas e ha s bee nkep t simpl e i norde r t o avoi d th e possibilit y

o f introducin g error s tha t coul db e du e t o som e o f th e othe r mode l inputs . Thus , befor e proceedin g t o city-specifi c simulations , replicatio no f th e tes t cas e simulatio ndiscusse dher e i s recommended . Th e inpu t dat a require dt o generat e th e OZIPM- 4 outpu t fo r compariso nwit h th e tes t cas e ar e show ni nTabl e 10 . Th e outpu t tha t i s generate db y OZIPM- 4 using th e input s i nTabl e 1 0 i s show ni nAppendi xC . Prospectiv e user s shoul dfindclos e agreemen t betwee n thei r outpu t an

dtha t shown . However , som e discrepancie s wil l likel y occur a s
a resul t o f differin g compute r systems . A s a rul e o f thumb , predicte dozon e concentration s shoul dagre e t o th e thir ddecima l place .



### 9 2P. 5

TABL E l Q lH 

### PUTOA^f° R 

### TES T CAS E RU N

1 2 3 4 TES T CAS E CAL C

.02 .P. 6

6. 2 PREDICTIO N

OF PEA KOZON E Tabl e 1 1 show s th e inpu t structur e fo r a sampl e cas e i nwhic ha singl e simulatio ni s t o b e conducte dfo r th e purpos e o f predictin g pea kozone . Th e outpu t generate dusin g thi s inpu t strea m i s containe di

nAppendi xD . Worthy o f not e i s th e fac t tha t th e predicte dozon e concentration s ar e printe d fo r eac hhou r o f th e simulatio nperiod . 6. 3 PERFORMINGA

N EKM A CALCULATIO N Inth e past , ozon e isoplet hdiagram s hav e bee nprepare di norde r t o determin e th e initia l NMO C an dNO , concentration s neede dt o reduc e th e dail y maximu m ozon e concentratio nt o th e leve l o f th e NAAQS . Th e new recommende d approac hi s t o utiliz e th e EKM A optio nt o estimat e a VO C contro l target . Th e optio ni s quicke r tha nth e us e o f th e ISOPLET H option . Tabl e 1 2 show s th e inpu t structur e fo r a sampl e cas e i nwhic hth e EKM

A optio ni s applied . Th e outpu t generate db y thi s exampl e i s containe di n Appendi xE . 6. 4 GENERATINGA

BAS E CAS E DIAGRA

M WIT H TH E ISO P OPTIO N Th e exampl e discusse dinthi s sectio ni s a follow-o nt o th e on e jus t described . Suppos e that , usin g th e same mode l data , th e goa l i s t o generat e
a nozon e isoplet hdiagram rathe r tha nt o us e th e EKM A option . Th e ISO P optio n allow s th e use r mor e flexibilit y concernin g simulatio no f change s whic hoccu r concurrentl y

wit hchange s i

nVO C an dN0 X . Ordinarily , tw o diagram s ar e needed . A s describe di nEPA (1989) , thes e mus t b e superimpose ds o tha t control s neede dt o reduc e current 0 3 (bas e cas e diagram ) t o th e 0.1 2 pp m (futur e cas e diagram ) ca nbe seen . Th e firs t diagram i s presume dt o represen t



### 9 4P. 7



### TABL E 11 . EXAMPL E INPUT S FO RPREDICTIN

GPEA KOZONE

TIT L EXAMPL E O F SINGL E CALCULATIO

N PLA C TES T CIT Y DI M TBf f 305 . WATE 80. 30. TEA M MAS S 9.4 2 1.7 5 8.1 1 1.6 0 BIO S ISO P 68.1 2 0 . 1. 3 API H 136.2 4 0 . 0 . 0 . 2. 0 CRS D C O 12. 9 12. 9 CAL C 38.629

250 . 11 . 307 . 11 . 75 . 30. 0 . -11 . 7.6 8 1.72 6.1 8 •1.4 2 -11 . 0 . 0 . 1. 0 1 .

. 5 0 . 1.8 0 . 1.2 19. 4 14. 2

. 8 90.206 1700. 294 . 308 . 29.9 5 50. 30. .0 4 .8 0 7.5 4 2.1 0 5.6 5 1.78 2 . .000 1

. 1

. 8 .000 1 1. 5

. 2 1. 2 -11 . 0 . 14. 2 15. 5 .0 8 6. 0 . 296 . 306 . 45 . 35 . 0 . .0 8 5.2 1 1.1 2 4.1 1 .9 0 250 . 0 .

. 3

. 6 0 . 0 .

. 5

. 9 250 .

. 5 11. 6 20. 7 0 . 1988 . 0 . 299 . 305 . 40. 40. .0 3 250 . 3.2 3 2.7 6

0 .

. 8 0 . 0 . 1. 2

-50 . 11. 6 0 . 6 . 0 . 301 . 304 . 35 . 0 . 2.2 4 1.90

.000 1 1. 0 .000 1 0 . 1.8

0 . 11. 6 0 . 21 .
304 . 302 . 30. .00 2 2.1 8 1.9 1

0 . 1. 5 0 . 6 . 2.5

.5 11. 6



### 9 5P. 8



### TABL E 12 . EXAMPL E INPUT S FO RUSIN GTH E EKM

A OPTION

TIT L EXAMPL E O F EKM

A OPTIO N PU C TES T CITY. DILO TEMP 305 . TfATE 80 . 30 . THA N MAS S 9.4 2 1.7 5 8.1 1 1.6 0 BI0 6 ISOP 68.1 2 0 . 1. 3 API N 136.2 4 0 . 0 . 0 . 2.0 CRE D C O 12. 9 12. 9 EKM A 0 . .6 4 38.62 9
250 . 11 . 307 . 11 . 75 . 30 . 0 . -11 . 7.6 8 1.7 2 6.1 8 1.4 2 -11 . 0 . 0 . 1.0 1 .

. 5 0 . 1. 8 0 . 1.2 19. 4 14: 2 .1 5 .0 4 .0 8 90.20 6
1700 . 294 . 308 . 29.9 5 50 . 30 . .0 4 .6 4 7.5 4

- 2.1 0 5.6 5 1.7 8 2 . .000 1

. 1

.8 .000 1 1. 5

.2 1. 2 -11 . 0 . 14. 2 15. 5 8. " 0 . 0 . 6 . 0 . 296 . 306 . 45 . 35 . 0 . .0 8 5.2 1 1.1 2 4.1 1 .9 0 250 . 0 .

.3

.6 0 . 0 .

. 5

.9 250 .

.5 11. 6 20. 7 -10 . .02 4 0 . 1968 . 0 . 299 . 305 . 40 . 40 . .0 3 250 . 3.2 3
2.7 6

0 .

.8 0 . 0 . 1.2

-50 . 11. 6 1 . 0 . 0 . 6 . 0 . 301 . 304 . 35 . 0 . 2.2 4 1.9 0

.000 1 1. 0
.000 1 0 . 1.8

0 . 11. 6 0 . .00 2 . 21. -

304 . 302 . 30 . .00 2
2.1 8 ! 1.9 1

0 . 1. 5 0 . 6 . 2.5

. 5 11. 6 0 .



### 9 6P. 9

existing , o r bas e case , conditions . Thi s ca nb e accomplishe dby usin g th e
sam e inpu t stream

tha t wa s use di

nth e previou s example , bu t simpl y replacin g th e EKM A optio nwit hth e ISO P optio n(se e Tabl e 13) . Sinc e n o othe r informatio ni s include do nth e ISO P inpu t record , defaul t value s ar e use dt o determin e th e NMO C an dN0 Xscale s onth e resultan t diagram . Appendi xF contain s th e OZIPM- 4 generate doutput . 6. 5 GENERATIO N

O F FUTUR E CAS E DIAGRA M WIT H TH E ISO P OPTIO N Th e fina l OZIPM- 4 applicatio nexampl e i s anothe r follow-o nt o th e precedin g two examples . Th e isoplet hdiagram describe di

nth e precedin g sectio nrepresente dbas e cas e conditions . Assume no w tha t a futur e cas e diagram i s desire di

norde r t o reflec t projecte dchange s i nmanmad e transpor t
an dfutur e C O emissions . Inthi s example , manmad e transpor t o f organi c compound s from

0.03 0 ppm

C t o 0.02 4 ppmC . C O emission s an dth e initia l C O concentratio nhav e bee nreduce db y 5 0 percent . Thi s i s don e b y revisin g th e individua l value s i

nth e CREDI T option . Th e futur e chang e fiel dwithi nth e CREDITI T optio ni s use donl y wit hth e EKM

A option . A s show

ni nTabl e 14 , thes e ar e th e onl y

input s tha t ar e change dfro m thos e neede dt o generat e th e bas e cas e diagrams . Appendi xGcontain s th e output , whic hdiffer s onl y slightl y fro m tha t i nAppendi xF . Th e bas e an dfutur e cas e diagram s show ni n thes e appendice s coul dthe nb e use dt o comput e th e VO C emissio nreductio ntha t i s neede dt o lowe r th e ozon e pea kobserve donthi s da y t o a leve l o f 0.1 2 ppm .

"Suc ha nestimat e i s arrive da t b y using Figur e 3 o f thi s document . 9 7TABL E 13 . EXAMPL E INPUT S FO RGENERATIN G A BAS E CAS E

IITL ISOPLET HDIAGRA M

EXAMPL E O F BAS E CAS E ISOPLET H PLA C • TES T CIT Y DILO

-. TEM P 305 . HAT E 80. 30. TRA N MAS S 9.4 2 1.7 5 8.1 1 1.6 0 BIO G ISO P 68.1 2 0 . 1. 3 API N 136.2 4 0 . 0 . 0 . 2.0 CRED C O 12. 9 ' 12. 9 PLO T ISOP .15 38.62 9

250 . 11 . 307 . 11 . 75 . 30. 0 . -11 . 7.6 8 1.7 2 6.1 8 1.4 2 -11 . 0 . 0 . 1. 0 1 .

. 5 0 . 1. 8 0 . 1. 2 19. 4 14. 2 0 . 2.0 90.20 6 1700 . 294 . 308 . 29.9 5 50 . 30. .0 4 .6 4 7.5 4 2.1 0 5.6 5 1.7 8

—2 . .000 1

. 1

. 8 .000 1 1. 5

.2 1. 2 -11 . 0 . 14. 2 15. 5 0 . .2 8

9 8 6. 0 . 296 . 306 . 45. 35 . 0 . .0 8 5.2 1 1.1 2 4.1 1 .9 0 250 . 0 .

. 3

.6 0 . 0 .

.5

.9 250 .

.5 11. 6 20. 7 0 . 1 . 1988 . 0 . 299 . 305 . 40. 40. .0 3 250 . 3.2 3 2.7 6

0 .

.8 0 . 0 . 1. 2

-50 . 11. 6 0 . 0 . 6. 0 . 301 . 304 . 35. 0 . 2.2 4 1.9 0

.000 1 1. 0 .000 1 0 . 1. 8

0 . 11. 6 0 . 1 . i

21 .
304 . 302 . 30. .00 2 2.1 8 1.9 1

0 . 1. 5 0 . 6. 2.5

.5 11. 6 0 . P.1 0

• . . _P.1 1



### TABL E 14 . EXAMPL E INPUT S FO RGENERATINGA

FUTUR E CAS E ISOPLET H DIAGRA

M

TIT L EXAMPL E O F FOTOR E CAS E ISOPLET H PU C TES T CIT Y DIL O TEM P 305 . HAT E 80 . 30. ' TEA N MAS S 9.4 2 1.7 5 8.1 1 1.6 0 BI0 6 ISO P 68.1 2 0 . 1. 3 API N 136.2 4 0 . 0 . 0 . 2. 0 CBE D C O 6.4 5 6.4 5 PLO T ISO P .1 2 38.62 9
250 . 11 . 307 . 11 . 75 . 30 . 0 . -11 . - 7.6 8 1.7 2 6.1 8 1.4 2

— -11 . 0 . 0 . 1.0 1 .

. 5 0 . 1.8 0 . -1. 2 9. 7 7.1 2 0 . 2. 0 90.20 6
1700 . 294 . 308 . 29.9 5 50 . 30 . .0 4 .6 4 7.5 4 2.1 0 5.6 5 1.7 8 2 . .000 1

. 1

. 8 .000 1 1. 5

.2 1.2 -11 . 0 . 7.1 7.7 5 0 . .2 8 6 . 0 . 296 . 306 . 45 . 35 . 0 . .0 8 5.2 1 1.1 2 4.1 1 .9 0 250 . 0 .

. 3

. 6 0 . 0 .

. 5

. 9 250 .

. 5 5. 8 10.3 5 0 . 1 . 1988 . 0 . 299 . 305 . 40 . 40 . .02 4 250 . 3.2 3
2.7 6

0 .

. 8 0 . 0 . 1.2

-50 . 5.8 0 . 0 . 6 . 0 . 301 . 304 . 35 . 0 . 2.2 4 1.9 0

.000 1 1.0
.000 1 0 . 1.8

0 . 5.8 0 . 1 . 21 .

304 . ! 302 . 30 . .00 2
2.1 8
1.9 1

: 0 . 1. 5 0 . 6 . 2.5

. 5 5.8 0 .



### 9 9P.1 2

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nLo s Angele s Atmosphere, " Environ . Sci . Techno!. . Vol . 10 , No . 3 , p . 257 . Cline , A . K . (1974), " Scala r an dPlana r - Value dCurv e Fittin g Usin g Spline s Unde r Tension, " Communicatio no f th e Associatio nfo r Computin g Machinery . 1 7 (4) , pp . 218-220 . Dodge , M . C . (1977) , "Effec t o f Selecte dParameter s onPrediction s o f a Photochemica l Model, " EPA-600/3-77-048 , U.S . Environmenta l Protectio n Agency , Researc hTriangl e Park , Nort hCarolina . EPA (1977) , "Uses , Limitations , an dTechnica l Basi s o f Procedure s fo r Quantifyin g Relationship s Betwee nPhotochemica l Oxidant s an d Precursors, " EPA-450/2-77-021a , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolina . EPA (1981) , "Guidelin e fo r Us e o f City-Specifi c EKM A i nPreparin g Ozon e SIP's, " EPA-450/4-80-027 , U.S . Environmenta l Protectio nAgency , Researc h Triangl e Park , Nort hCarolina . EPA (1984) , "Guideline s fo r Usin g th e Carbon-Bon dMechanis m i nCity-Specifi c EKMA, " EPA-450/4-84-005 , U.S . Environmenta l Protectio nAgency , Researc h Triangl e Park , Nort hCarolina . EPA (1986) , "Guidelin e o nAi r Qualit y

Model s (Revised), " EPA-450/2-78-027R , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort h Carolina . EPA (1989) , "Procedure s fo r Applyin g City-Specifi c EKMA, " EPA-450/4-89-012 , U . S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort h Carolina . Gear , C . W . (1971) , "Th e Automati c Integratio no f Ordinar y Differentia l Equations, " i

nCommunicatio no f th e Associatio nfo r Computin g Machinery . Vol . 14 , No . 3 , pp . 176-1979 .



### 10 0P.1 3

Gery , M . W. , G . Z . Whitten , an dJ . P . Killu s (1988) , "Developmen t an d Testin g o f th e CBM-I V fo r Urba nan

dRegiona l Modeling, " EPA-600/3-88 - 012 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort h Carolina . Gipson , G . L . (1984) , "User' s Manua l fo r OZIPM-2 : Ozon e Isoplet hPlottin g Wit hOptiona l Mechanisms/Versio n2, " EPA-450/4-84-024 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolina . H . Hug o an

dM . Ger y

(1988) , "User' s Guid e fo r Executin g 0ZIPM 4 wit hCMB-I V o r Optiona l Mechanisms-Volum e 1, " U . S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolina . Hogo , H . an

dG . Z . Whitte n(1985) , "Guideline s fo r Usin g 0ZIPM 3 Wit h CBM- Xo r Optiona l Mechanisms , Volume 1 : Descriptio no f th e Ozon e Isoplet hPlottin g Package , Versio n3, " Contrac t No . 68-02-3735 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolina . Jeffries , H . E. , R . M . Kamens , K . G . Sexton , an dA . A . Gerhard t (1982) , "Outdoo r Smo g Chambe r Experiment s t o Tes t Photochemica l Models, " EPA 600/3-82-016 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolin a Jeffries , H . E . an

dK . G . Sexto n(1987) , "Technica l Discussio nRelate d t o th e Choic e o f Photolyti c Rate s fo r Carbo nBondMechanism s i n 0ZIPM-4/EKMA, " EPA-450/4-87-003 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolina . Jeffries , H . E. , K . G . Sexton , an dC . N . Salm i (1981) , "The Effect s o f Chemistr y

an dMeteorolog y

o nOzon e Contro l Calculation s Usin g Simpl e Trajector y

Model s an

dth e EKM

A Procedure, " EPA-450/4-81-034 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort h Carolina . Killus , J . P . an

dG . Z . Whitte n(1984) , "Technica l Discussion s Relativ e t o th e Us e o f Carbon-Bon dMechanis m i nOZIPM/EKMA, " EPA-450/4-84-009 , System s Applications , Inc. , SanRafael , California . Schere , K . L . an

dK . L . Demerjia n(1977) , "Calculatio no f Selecte d Photolyti c Rat e Constant s Ove r a Diurna l Range, " EPA-600/4-77-015 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort h Carolina . Sherman , A . H . (1975) , "Yal e Spars e Matri xPackag e User' s Guide, " UCID-30114 , Universit y o f California , Livermore , California . Spellman , J . W . an

dA . C . Hindmars h(1975) , "GEARS : Solutio no f Ordinar y Differentia l Equation s Havin g a Spars e Jacobia nMatrix, " UCID-30116 , Universit y

o f California , Livermore , California .



### 10 1P.1 4

Sutcliffe , D . C . (1978) , "Contourin g Ove r Rectangula r an dSkewe dRectangula r Grid s - A

nIntroduction, " Proceeding s Mathematica l Method s i nCompute r Graphic s an

dDesign . Universit y

o f Leicester , Septembe r 28 , 1978 . Whitten , G . Z . an

dH . Hog o (1978a) , "User' s Manua l fo r Kinetic s Mode l an d Ozon e Iosplet hPlottin g Package, " EPA-600-8-78-014a , System s Applications , Inc. , SanRafael , California . Whitten , G . Z . an

dG . Hog o (1978b) , "User' s Manua l fo r Ozon e Isoplet h Plottin g Wit hOptiona l Mechanis m (OZIPM), " SA I No . EF78-30 , System s Applications , Inc. , SanRafael , California . Whitten , G . Z. , J . P . Killus , an dH . Hog o (1980) , "Modelin g o f Simulate d Photochemica l Smo g Wit hKineti c Mechanisms : Volum e I : Fina l Report, " EPA-600/3-80-028a , System s Applications , Inc. , SanRafael , California . Whitten , G . Z. , J . P . Killus , an dR . G . Johnso n(1985) , "Modelin g o f Aut o Exhaus t Smo g Chambe r Dat a fo r EKM A Development, " EPA-600/3-85-025 , System s Applications , Inc. , SanRafael , California . Whitten , G . Z . an

dM . W . Ger y

(1986) , "Developmen t o f CBM- XMechanism s fo r Urba nan

dRegiona l AQSM's, " EPA-600/3-86-012 , U.S . Environmenta l Protectio nAgency , Researc hTriangl e Park , Nort hCarolina .



### 10 2P.1 5



### APPENDI XA

CARBO N BON D4 MECHANIS M

A- 1P.1 6

THE REACTION S 1 2 3 4 5 i 7 8 9 1 0 1 1 1 2 1 3 1 4 1 5
U 1 7 1 8 1 9 2 0 2 1 2 2 2 3 2 1 2 5 N0 2 0
0 3 + 0 • 0 • 0 + M0 2 + 0 3 0 3 01 0 Oi l + 0 3 • 0 3 + N0 3
N0 3 + N0 3 * NQ 3 + N20 5 • N20 5
N O•
N O*
N O+ HN0 2
OH• KN0 2 • N

O N0 2 N0 2
N O 0 3

H2 0 O H H0 2

N O N0 2 N0 2 H2 0

N O
N0 2 • O H

HN0 2 HN0 2 -

-.

=

:

•

-
•

z

-

-
••
•

•

z

-.
•

z

-

z

z
H2 0 " -

=

-
:

z N O• 0 0 3 N0 2
N O N0 3 N0 2 N0 3 0

• 01 0 0
2 OH H0 2 O H
0.8 9 N0 2 • 0.8 9 0 + 0.1 1
2N0 2
N O* N0 2 N20 5
2HN0 3
N0 3 * N0 2
2N0 2
2HN0 2
HN0 2
N O* O

H N0 2
N O+ N0 2 RAT E CONSTAN T i.OOOE+0 0 4.323E+0 6
2.664E+0 1
1.375E+0 4
2.309E+0 3
2.438E+0 3
4.731E-0 2
5.300E-0 2
l.OOOE+0 0 4.246E+0 5 3.2iOE+0 0
1.000E+0 2
3.000E+0 0 3.390E+0 1
4.4UE+G 4 5.901E-0 1 1.353E+0 3
1.900E-0 6 2.776E+0 0 1.539E-0 4
1.600E-1 1
9.799E+0 3 1.975E-0 1 9.770E+0 3 1.500E-0 5 ACT . EHERGY(ft )

O.OOOE+O O -1.175E+0 3
1.370E+0 3
O.OOOE+O O
-6.870E+0 2
-6.020E+0 2
2.450E+0 3
O.OOOE+O O
O.OOOE+O O -3.900E+0 2
O.OOOE+O O 9.400E+0 2
5.800E+0 2
O.OOOE+O O -2.500E+0 2
1.230E+0 3
-2.560E+0 2
O.OOOE+O O 1.090E+0 4
-5.300E+0 2
O.OOOE+O O
-8.060E+0 2
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O A - 2P.1 7

H E REACTION S U 2 7 2 8 2 9 3 0 3 1 3 2 3 3 3 4 3 5 3 6 3 7 3 8 3 9 4 0 4 1 4 2 4 3 4 4 4 5 4 4 4 7 4 8 4 9 5 0 N0 2 +
O H + H0 2 + H0 2 • PN A
O H + H0 2 + H0 2 + H20 2
OH +
O H +
FORH+
FORM
FOR H
FOR H • FOR H •
A I M+
ALI 2 +
ALD 2 + AL0 2
C20 3 • C20 3 • PA N C20 3 • C20 3 • O

H
HN0 3
N O N0 2

PN A H0 2
H0 2 +

H20 2 C O O H

0 N0 3 0 O H N0 3

N O N0 2

C20 3 H0 2 5

:
:

:

•

z
•
H2 0 i

-

-.
•
:

s

s
•
•

z

z

z

-.

z

z

z

-

z HN0 3 N0 3
OH • PN A
H0 2 • N0 2
H20 2
H20 2
2 O H H0 2 H0 2
H0 2 + 2H0 2 + C O
O H + HN0 3 + C20 3 + C20 3 C20 3 +
FORH+
FOR H • PA N C20 3 + 2 FOR H • 0.7 9 FOR H • N0

2

N0 2

C O C O

H0 2 H0 2 O H

HN0 3
2H0 2 N0 2

N0 2
2 X0 2 0.7 9 X0 2 + C O

+ C O

+ C O

• H0 2

• 2 H0 2

+ 0.7 9 H0 2 + K0 2

+ K0 2

+ 0.7 9 O H RAT E CONSTANT

U32E+0 4
2.179E+0 2
1.227E+0 4
2.025E+0 3
5.115E*0 O M33E+0 3
4.144E+0 3
2.181E-0 1
1.390E-0 1 2.520E+0 3 3.220E+0 2
1.500E+0 4 l.OOOE+0 0 l.OOOE+0 0
2.370E+0 2
9.300E-0 1
4.360E+0 2
2.400E+0 4 3.70OE+0 O l.OOOE+0 0
1.332E+0 4
1.223E+0 4
2.220E-0 2 3.700E+0 3
5.600E+0 3 ACl
. ENERGUI )

-7.130E+0 2
-1.000E+0 3
-2.40CE+0 2
-7.490E+0 2
1.012E+0 4
-3.300E+0 2
-1.150E+0 3
-5.800E+0 3
O.OOOE+O O 1.870E+0 2
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O 1.550E+O 3
O.OOOE+O O 9.840E+0 2
-2.500E+0 2
O.OOOE+O O
O.OOOE+O O -2.500E+O 2
-5.500E+0 3 1.400E+0 4
O.OOOE+O O
O.OOOE+O O

A- 3P.1 8

TH E REACTION S
5 1 OH
5 2 PA

R•

5 3 RO

R

5 4 RO

R
5 3 RO

R+ 5 6 0 + O

H

•
N0 2 OL E

O H

5 8 0 3

5 9

6 0 N0 3

6 1 6 2 6 3 6 4 6 5 6 6 6 7 6 8 6 9 7 0 O H+ 0 3 +
TOL + T0 2 + T0 2
OH•
CRE S •
CR O+
OPEN
OPE N t ET H
ET H O H
N O

CRE S N0 3 K0 2

O H OL E

OL E

OL E

ET H FOR H+ X0 2 + H0 2
0.8 7 X0 2 + 0.1 3 X02 N

+ 0.1 1 H0 2 + 0.1 1 AL0 2 0.1 1 PA R+ 0.7 6 ROR 0.9 6 X0 2 • 1. 1 ALJ 2 • 0.9 4 + 0.0 4 X02 H+ 0.0 2 RO

R - 2. 1 PA

R

0.6 3 ALD 2 + 0.3 8 H0 2 + 0.2 8 X0 2 + 0. 3 CO + 0. 2 FORH+ 0.0 2 X02 N

+ 0.2 2 PA R+ 0. 2 OH
FOR H• ALJ 2 - PA

R» 1(02 • - H0 2 0. 5 ALS 2 + 0.7 4 FORH+ 0.2 2 X0 2 + 0. 1 OH * 0.3 3 CO+ 0.4 4 H0 2 • PA R 0.9 1 X0 2 • FOR H• 0.0 9 X02 N • — ALJ 2 + K0 2 - PA

R RAT E CONSTAN T ACT . ENER6T(K )
2.100E+0 1 1.710E+0 3
1.203E+0 3 O.OOOE+O O

1.371E+0 5 3.000E+0 3

9.545E+0 4 O.OOOE+O O 2.200E+0 4 O.OOOE+O O 5.920E+0 3 3.240E+0 2

4.200E+0 4 -5.O40E+O 2

1.800E-0 2 2.105E+0 3

1.135E+0 1 O.OOOE+O O

FOR H• 1. 7 H0 2 • C O+ 0. 7 X0 2 1.080E+0 3 7.920E+0 2 + 0. 3 OH X0 2 +1.5 6 FOR H+0.2 2 AL8 2 + H0 2
FOR H+ 0.4 2 CO+ 0.1 2 H0 2
0.4 4 H0 2 + 0.0 8 X0 2 + 0.3 6 CRE S + 0.5 6 10 2
0. 9 N0 2 + 0. 9 H0 2 + 0. 9 OPE N
CRE S + H0 2 . 0. 4 CRO+ 0. 6 X0 2 + 0. 6 H0 2 + 0. 3 OPE N
CRO+ HN0 3

C20 3 + H0 2 • C

O X0 2 • 2 CO+ 2 H0 2 + C20 3 FOR H 1.192E+0 4
2.702E-0 3 9.150E+0 3
1.200E+0 4
2.500E+0 2 6.100E+0 4
3.250E+0 4 2.000E+0 4
8.400E+0 0
4.400E+0 4 -4.110E+0 2

2.633E+0 3 -3.220E+0 2
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O
O.OOOE+O O

A- 4P.1 9

THE REACTION S

7 1 OPE N

+ 0 3

7 2 OH• XYL

HGL T

ISO P 7 3 7 4 7 5 O H+
HGL T 0 +

7 6 O H+ ISO P

7 7

7 8 7 9 3 0 8 1 8 2 0 3 +

N0 3 + X0 2 + X02 N + X0 2 • N R ISO P

ISOP
N O
N O X0 2 0.0 3 ALD 2

+ 0.6 9 CO
0. 7 H0 2 + 1. 1 PA R
X0 2 C20 3
0. 6 H0 2 • 0. 5 CO X0 2 • ET H

• FOR H

• 0. 1 PA R X02 N N0 2 0.6 2 C20 3 • 0. 7 FORH+ 0.0 3 X0 2 0.0 8 OH+ 0.7 6 H0 2 + 0. 2 HGL Y 0. 5 X0 2 • 0. 2 CRE S + 0. 8 HGL Y 0. 3 T0 2
C20 3
H0 2 C

O 0. 8 ALD 2 + 0.5 5 OLE + 0. 5 X0 2 0.4 5 ET H• 0. 9 PA

R
FOR H+ 0.6 7 H0 2 + 0.1 3 X02 N 0. 4 HGL Y+ 0. 2 C20 3 + 0. 2 ALB 2 0. 4 ALJ 2 + 0.5 5 ET H+ 0. 2 HGL Y 0.0 6 C O+ 0.4 4 H0 2 • 0. 1 OH RAT E CONSTAN T ACT . ENER6Y(K )
1.500E-0 2 5.000E+0 2

3.620E+0 4 -1.160E+0 2

2.600E+0 4
8.960E+0 0
2.700E+0 4

1.420E+0 5

1.800E-0 2 O.OOOE+O O

O.OOOE+O O
O.OOOE+O O

O.OOOE+O O

O.OOOE+O O

N R 4.700E+0 2 1.200E+0 4
1.000E+0 3
2.000E+0 3 l.OOOE+0 0 O.OOOE+O O

O.OOOE+O O
O.OOOE+O O
-1.300E+0 3
O.OOOE+O O



### A- 5THE F0LL0HN 6 PHOTOLYSI S RAT E CONSTANT S AR E USE D P.2 0

REACTION SPECIE S NO . 1

0 2 0 3 0 ZENIT HANGL E (DEG ) 4 0 5 0 6 0 7

0 7 8

1 8 9 1 4 23 . 3 4 3 8 3 9 4 5 6 9 7 4 

### m 0 3 0 3 N0 3
HN0 2
H20 2
FORH
FORH
ALD 2
OPE N
HGL T 5.89E-0 1
3.12E : 0 2
2.72E-0 3
2.00E+0 1
1.16E-0 1
6.40E-0 4
2.18E-0 3 3.39E-0 3 3.47E-0 4 1.83E-0 2 1.95E-0 2 5.85E-0 1
3.10E-0 2
2.62E-0 3 1.98E+0 1
1.16E-0 1
6.34E-0 4
2.14E-0 3
3.35E-0 3 3.38E-0 4 , 1.80E-0 2
1.92E-0 2 S.71E-0 1
J.03E-0 2
!.36E-0 3 .94E+0 1
.13E-0 1
1.12E-0 4
!.03E-0 3 i.24E-0 3 S.14E-0 4
.71E-0 2 .82E-0 2 5.47E-0 1
2.90E-0 2
1.96E-0 3
1.85E+0 1
1.08E-0 1
5.73E-0 4
1.86E-0 3
3.03E-0 3 2.75E-0 4
1.56E-0 2
1.67E-0 2 5.09E-0 1
2.70E-0 2
1.46E-0 3
1.73E+0 1
1.01E-0 1
5.15E-0 4
1.60E-0 3
2.72E-0 3 2.22E-0 4
1.34E-0 2
1.43E-0 2 4.54E-0 1
2.40E-0 2 9.44E-0 4
1.54E+0 1
8.96E-0 2
4.36E-0 4
1.27E-0 3
2.30E-0 3 1.61E-0 4
1.07E-0 2
1.14E-0 2 3.74E-0 1
1.98E-0 2
4.62E-0 4 1.27E+0 1
7.39E-0 2
3.27E-0 4
8.73E-0 4
1.73E-0 3 9.61E-0 5
7.33E-0 3
7.82E-0 3 2.58E-0 1
1.37E-0 2 1.39E-0 4
8.74E+0 0
3.09E-0 2
1.95E-0 4 4.48E-0 4
1.03E-0 3 4.07E-0 5
3.76E-0 3
4.01E-0 3 1.34E-0 1
U1E-0 3
1.95E-0 5
I.55E+0 0
!.65E-0 2
1.79E-0 5
.72E-0 4
I.65E-0 4 .22E-0 5
.44E-0 3
.54E-0 3 2.42E-0 2
1.28E-0 3
3.15E-0 6 8.20E-0 1
4.78E-0 3
2.40E-0 5 4.28E-0 5
1.27E-0 4 2.27E-0 6
3.60E-0 4
3.34E-0 4

A- 6P.2 1

APPENDI XB CBM- 4 CARBON

BON DGROUP S FO

RORGANI C SPECIE S



### B- 1P.2 2

P-age No

. 1 06/26/8 9 TABL E B- 1 MOLECULA

R WEIGHT

S & CARBON NUMBER S OF HOLECULE S ( I N ALPHABETICA L ORDER )

CHEMICA L NAME CARBO N M WN O

1

. 1

. 1 1

. 1

. 1 1 1

. 1

. 1 1 1

. 1 1 1 1,1-TRICHL0R0ETHAN E 1,2-TRICHLOROETHAN E 2,3,4-TETRAMETHYLBENZEN E 2,3,5-TETRAMETHYLBENZEN E 2,3-TRIMETHYLBENZEN E 2,4,5-TETRAMETHYLBENZEN E 2.,4-TRIMETHYLBENZEN E 2-DIETHYLBENZEN E 2-DIMETHYL-3-ETHYLBENZEN E 2-DIMETHYL-4-ETHYLBENZEN E 3,5-TRIMETHYLBENZEN E 3-BUTADIEN E 3-DIETHYLBENZEN E ,4-BUTANEDIO L 4-DIETHYLBENZEN E 1-BUTEN E 1-BUTYN E 1-CHLOROBUTAN E 1-DECEN E 1-ETH0XY-2-PR0PAN0 L 1-HEPTEN E 1-HEXEN E 1-METHYLCYCLOHEXEN E l-METHYL-2-ETHYLBENZEN E l-METHYL-3-ETHYLBENZEN E 1-METHYL-3-IS0PR0PYLBENZEN E 1-METHYL-3-N-PROPYLBENZEN E 1-METHYL-4-ISOPR0PYLBENZEN E 1-NONEN E 1-OCTEN E 1-PENTEN E 1-UNDECEN E 2,2,3-TRIMETHYLBUTAN E

* • >

C

im r > 2

< -

iL 2

im ,2,4-TRIMETHYLPENTAN E ,2,5-TRIMETHYLHEXAN E ,2-DICHL0R0NITR0ANILIN E ,2-DIMETHYLBUTAN E ,2-DIMETHYLHEXAN E ,2-DIMETHYLPROPAN E ,3,3-TRIMETHYLPENTAN E ,3,3-TRIMETHYL-l-BUTEN E ,3,4-TRIMETHYLPENTAN E ,3,5-TRIMETHYLHEXAN E ,3-DIMETHYLBUTAN E B- 2 133.4 0 133.4 0 134.2 2 134.2 2 120.1 9 134.2 2 120.1 9 134.2 2 134.2 2 134.2 2 120.1 9 54.0 9 134.2 2 90.1 2 134.2 2 56.1 1 54.0 9 92.5 7 140.2 7 104.1 5 98.1 9 84.1 6 96.1 7 120.1 9 120.1 9 134.2 2 134.2 2 134.2 2 126.2 4 112.2 1 70.1 3 154.2 9 100.2 0 114.2 3 114.2 3 128.2 6 207.0 2 86.1 8 114.2 3 72.1 5 114.2 3 98.1 9 114.2 3 128.2 6 86.1 8 2. 0

2. 0 10. 0 10. 0 9. 0 10. 0 9. 0 10. 0 10. 0 10. 0 9. 0 4. 0 10. 0 4. 0 10. 0 4. 0 4. 0 4. 0 10. 0 5. 0 7. 0 6. 0 7. 0 9. 0 9. 0 10. 0 10. 0 10. 0 9. 0 8. 0 5. 0 11. 0 7. 0 8. 0 8. 0 9. 0 6. 0 6. 0 8. 0 5. 0 8. 0 7. 0 8. 0 9. 0 6. 0P.2 3

Pag e No . 2 06/26/8 9 TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBO N NUMBER S OF MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E

,3-DIMETHYLHEPTANE ,3-DIMETHYLHEXANE ,3-DIMETHYLOCTANE ,3-DIMETHYLPENTANE ,3-DIMETHYL-l-BUTENE

, 4,4-TRIMETHYL-l-PENTEN E ,4,5-TRIMETHYLHEPTANE ,4-DIMETHYLHEPTANE ,4-DIMETHYLHEXANE ,4-DIMETHYLOCTANE ,4-DIMETHYLPENTANE ,5-DIMETHYLHEPTANE 5-DIMETHYLHEXANE ,6-DIMETHYLOCTANE ,6-DIMETHYLSTYRENE 2-BUTYLTETRAHYDROFURA N 2-BUTYNE 2-ETHYLHEXANO L 2-ETHYL-l-BUTEN E 2-ETHYL-1-HEXAN0 L 2-FURFURA

L 2-HEXENE 2-METHYLDECAN E 2-METHYLHEPTAN E 2-METHYLHEXANE 2-METHYLOCTAN E 2-METHYLPENTAN E 2-METHYLPR0PAN E 2-METHYLPR0PEN E 2-METHYLPROPEN E 2-METHYL-l,3-BUTADIEN E 2-METHYL-l-BUTEN E 2-METHYL-l-PENTEN E 2-METHYL-2-BUTEN E 2-METHYL-2-PENTEN E 2-METHYL-3-HEXAN0N E 2-(2-BUT0XYETH0XY)-ETHANO L 3,3-DIMETHYLPENTAN E 3,4-DIMETHYLOCTAN E 3,5,5-TRIMETHYLHEXAN E 3,5-DIMETHYLHEPTAN E 3-HEPTENE 3-METHYLHEPTANE 3-METHYLHEXANE 3-METHYLOCTANE 3-METHYLPENTANE

B- 3 M W

It . 8 • i. 6 114.2 3 142.2 8 100.2 0 84.1 6 112.2 1 142.2 9 128.2 6 114.2 3 142.2 8 100.2 0 128.2 6 114.2 3 142.2 8 132.2 0 128.2 1 54.0 9 130.2 3 84.1 6 130.2 3 96.0 8 84.1 6 156.3 1 114.2 3 100.2 0 128.2 6 86.1 8 58.1 2 56.1 1 56.1 1 68.1 2 70.1 3 84.1 6 70.1 3 84.1 6 114.1 9 162.2 6 100.2 0 142.2 8 128.2 6
1 CO m JLO 98.1 9 114.2 3 100.2 0 128.2 6 86.1 8 CARBO

N N O

9. 0 8. 0 10. 0 7. 0 6. 0 8. 0 10. 0 9. 0 8. 0 10. 0 7. 0 9. 0 8. 0 10. 0 10. 0 8. 0 4. 0 8. 0 6. 0 8. 0 5. 0 6. 0 11. 0 8. 0 7. 0 9. 0 6. 0 4. 0 4. 0 4. 0 5. 0 5. 0 6. 0 5. 0 6. 0 7. 0 8. 0 7. 0 10. 0 9. 0 9. 0 7. 0 8. 0 7. 0 9. 0 6. 0P.2 4

Pag e No . 3 06/26/8 9 TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBON NUMBER S O

F MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E

3-METHYL-l-BUTEN E 3-METHYLrl-PENTEN E 3-METHYL-CIS-2-PENTEN E 3-METHYL-TRANS-2-PENTEN E 3-(CHLOROMETHYL)-HEPTAN E 4,4-METHYLEN E DIAN1LIN E 4-METHYLANILIN E 4-METHYLHEPTAN E 4-METHYLNONAN E 4-METHYLOCTAN E 4-METHYL-l-PENTEN E 4-METHYL-CIS-2-PENTEN E 4-METHYL-TRANS-2-PENTEN E 4-PHENYL-l-BUTEN E ACENAPHTHEN E ACENAPHTHYLEN E ACETALDEHYD E ACETI C ACI D ACETI C ANHYDRID E ACETON E ACETYLEN E ACROLEI N

(PROPENAL ) ACRYLI C ACI D ACRYLONITRIL E ADIPI C ACI D ALIPHATIC S (pe r carbon ) ALKEN E KETON E AMINOANTHRAQUINON E ANILIN E ANTHANTHREN E ANTHRACEN E ANTHRAQUINON E A-PINEN E BENZALDEHYD E BENZEN E BENZOI C ACI D BENZOPYRENE S BENZOTHIAZOL E BENZO(a)ANTHRACEN E BENZ O U)PYREN E BENZO(b)FLUORANTHEN E BENZO(c)PHENANTHREN E BENZO(e)PYREN E BENZO(g,h,i)FLUORANTHEN E BENZO(g,h,i)PERYLEN E BENZ O (k' ) FLUORANTHEN E M W

70.1 3 84.1 6 84.1 6 84.1 6 148.6 8 198.2 7 107.1 5 114.2 3 142.2 8 128.2 6 84.1 6 84.1 6 84.1 6 132.2 0 154.2 1 152.2 0 44.0 5 60.0 5 102.0 9 58.0 8 26.0 4 56.0 6 72.0 6 53.0 6 146.1 4 14.0 3 72.1 1 £.4 . J . 4. 0 93.1 3 302.3 7 178.2 3 208.2 2 136.2 4 106.1 2 78.1 1 1 *> o 1 o 252.3 1 135.1 8 i.i.0 • i. 7 252.3 1 228.2 9

276.3 4 252.3 1 CARBO

N N O

5. 0 6. 0 6. 0 6. 0 8. 0 13. 0 7. 0 8. 0 10. 0 9. 0 6. 0 6. 0 6. 0 10. 0 12. 0 12. 0 2. 0 2. 0 4. 0 3. 0 2. 0 3. 0 3. 0 3. 0 6. 0 1. 0 4. 0 14. 0 6. 0 24. 0 14. 0 14. 0 10. 0 7. 0 6. 0 7. 0 20. 0 7. 0 18. 0 20. 0 20. 0 18. 0 20. 0 18. 0 22. 0 20. 0 

### B- 4P.2 5

Pag e No . 06/26/8 9 TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBO N NUMBER S O F MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E M W CARBON

N O

BENZYLCHLORID E BIPHENY L . BIPHENYLO L BROMODINITROANILIN E BROMODINITROBENZEN E BUTEN E BUTOXYBUTEN E BUTOXYETHOXYETHANO L BUTOXYETHOXYETHANO L ACETAT E BUTY L CARBITO L BUTY L CELLOSOLVE BUTYLACRYLAT E BUTYLBENZEN E BUTYLBENZOAT E BUTYLBENZYLPHTHALAT E BUTYLCYCLOHEXAN E BUTYLISOPROPYLPHTHALAT E BUTYRALDEHYD E B-PHELLANDREN E B-PINEN E C I COMPOUND S (DIESE L EXHAUST ) CI O AROMATI C CI O COMPOUND S (DIESE L EXHAUST ) CI O OLEFIN S CI O PARAFFIN S C10H1 2 C10H1 6 C10H16 0 Cl l COMPOUNDS " (DIESE L EXHAUST ) Cl l OLEFIN S Cl l PARAFFI N C11H1 0 C11H14 0 C1 2 COMPOUND S (DIESE L EXHAUST ) C1 2 OLEFIN S C1 2 PARAFFI N C 1 our> o C1 3 COMPOUND S (DIESE L EXHAUST ) C1 3 PARAFFI N C1 4 COMPOUND S (DIESE L EXHAUST) C1 5 COMPOUND S (DIESE L EXHAUST ) C1 6 BRANCHE D ALKANE C1 6 COMPOUND S (DIESE L EXHAUST ) C1 7 COMPOUND S (DIESE L EXHAUST ) C1 8 COMPOUND S (DIESE L EXHAUST) C1 9 COMPOUND S (DIESE L EXHAUST) 126.5 9 154.2 1 170.2 2 262.0 2 247.0 0 56.1 1 128.2 1 162.2 3 220.2 6 162.2 3 118.2 0 128.1 7 134.2 2 178.2 3 312.3 6 140.2 7 264.3 2 72.1 1 136.2 4 136.2 4 16.0 4 134.2 2 140.0 0 140.2 7 142.2 8 132.2 0 136.2 4 152.2 4 154.0 0 154.2 9 156.3 1 142.2 0 162.2 3 168.0 0 168.3 2 170.3 4 166.3 1 182.0 0 184.3 6 196.0 0 210.0 0 226.4 4 224.0 0 238.0 0 252.0 0 266.0 0 7. 0

12. 0 12. 0 6. 0 6. 0 4. 0 8. 0 8. 0 10. 0 8. 0 6. 0 7. 0 10. 0 11. 0 19. 0 10. 0 15. 0 4. 0 10. 0 10. 0 1. 0 10. 0 10. 0 10. 0 10. 0 10. 0 10. 0 10. 0 11. 0 11. 0 11. 0 11. 0 11. 0 12. 0 12. 0 12. 0 12. 0 13. 0 13. 0 14. 0 15. 0 16. 0 16. 0 17. 0 18. 0 19. 0 B- 5P.2 6

Pag e No . 5 06/26/8 9 TABL E B- 1
MOLECULAR WEIGHT S 4 CARBO NNUMBER S O F MOLECULE S (I NALPHABETICA L ORDER )

CHEMICA L NAM E CARBO N MW NO

C 2 C I

C I C I C I

C2 1
C2 3 C2 4 C2 5 COMPOUND S COMPOUND S COMPOUND S COMPOUND S COMPOUND S C2 6 COMPOUND S C2 7 COMPOUND S C2 8 COMPOUND S ALKYLANTHRACENE S 206.2 9 16. 0 ALKYLBENZANTHRACEN E 256.3 5 20. 0 C 2 ALKYLBENZOPHENANTHREN E 256.3 5 20. 0 C 2 ALKYLCHRYSENE S 256.3 5 20. 0 ALKYLCYCLOHEXAN E 112.2 1 8. 0 ALKYLINDAN146.2 3 11. 0 ALKYLNAPTHALEN E 156.2 3 12. 0 C 2 ALKYLPHENANTHRENE S 206.2 9 16. 0 C 2 COMPOUND S (DIESE L EXHAUST ) 28.5 5 2. 0 C2 0 COMPOUND S (DIESE L EXHAUST ) 280.0 0 20. 0

(DIESE L EXHAUST ) 294.0 0 21. 0 (DIESE L EXHAUST ) 308.0 0 22. 0 (DIESE L EXHAUST ) 322.0 0 23. 0 (DIESE L EXHAUST ) 336.0 0 24. 0 (DIESE L EXHAUST ) 350.0 0 25. 0 (DIESE L EXHAUST ) 364.0 0 26. 0 (DIESE L EXHAUST ) 378.0 0 27. 0 (DIESE L EXHAUST ) 392.0 0 28. 0 C2 9 COMPOUND S (DIESE L EXHAUST ) 406.0 0 29. 0 C 3 ALKYLCYCLOHEXAN E 126.2 4 9. 0 C 3 ALKYLSTYREN E 146.2 3 11. 0 C 3 COMPOUND S (DIESE L EXHAUST ) 42.0 8 3. 0 C 3 PARAFFI N44.1 0 3. 0

(DIESE L EXHAUST ) 420.0 0 30. 0 (DIESE L EXHAUST ) 434.0 0 31. 0 (DIESE L EXHAUST ) 448.0 0 32. 0 (DIESE L EXHAUST ) 462.0 0 33. 0 C34 COMPOUND S (DIESE L EXHAUST ) 476.0 0 34. 0 C3 5 COMPOUND S (DIESE L EXHAUST ) 490.0 0 35. 0

(DIESE L EXHAUST ) 504.0 0 36. 0 (DIESE L EXHAUST ) 518.0 0 37. 0 (DIESE L EXHAUST ) 532.0 0 38. 0 C3 9 COMPOUND S (DIESE L EXHAUST ) 546.0 0 39. 0 C3/C4/C 5 ALKYLBENZENE S 134.2 2 10. 0 C 4 ALKYLPHENOL S 150.2 2 10. 0 C4 ALKYLSTYRENE S 160.2 6 12. 0 C4 COMPOUND S (DIESE L EXHAUST ) 57.0 8 4. 0 C4 OLEFI N56.1 1 4. 0 C 4 PARAFFI N58.1 2 4. 0 C4 SUBSTITUTE D CYCLOHEXAN E 140.2 7 10. 0 C4 SUBSTITUTE D CYCLOHEXANON E 154.2 5 10. 0 C4 0 COMPOUND S (DIESE L EXHAUST ) 560.0 0 40. 0 C4 1 COMPOUND S (DIESE L EXHAUST ) 574.0 0 41. 0 C4 2 COMPOUND S (DIESE L EXHAUST ) 588.0 0 42. 0 C4 3 COMPOUND S (DIESE L EXHAUST ) 602.0 0 43. 0 C 5 ALKY L CYCLOHEXAN E B-^-
. 154.2 9 ll. O C3 0 COMPOUND S C3 1 COMPOUND S C3 2 COMPOUND S C3 3 COMPOUND S

C3 6 COMPOUND S C3 7 COMPOUND S C3 8 COMPOUND S



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Pag e No . 7 06/26/8 9 TABL E B- 1 MOLECULA

R WEIGHT S 4 CARBO

NNUMBER S O

F MOLECULE S (INALPHABETICA

L ORDER )

CHEMICA L NAM E

CHLORODIFLUOROMETHANE CHLOROFOR

M CHLOROPENTAFLUOROETHANE CHLOROPREN

E CHLOROTRIFLUOROMETHANE CHRYSENE CIS-1,4-DIMETHYLCYCLOHEXANE CIS-2-BUTENE CIS-2-HEPTENE CIS-2-HEXENE CIS-2-0CTENE CIS-2-PENTENE CIS-3-HEXENE CORONENE CREOSOT E CRESO L CROTONALDEHYD E CUMENE (ISOPROPY

L BENZENE ) CYCLOHEPTANE CYCLOHEXAN

E CYCLOHEXANO L CYCLOHEXANON

E CYCLOHEXENE CYCLOPENTAANTHRACENE S CYCLOPENTANE CYCLOPENTAPHENANTJHRENE S CYCLOPENTA(c,d)PYRENE CYCLOPENTENE CYCLOPENTYLCYCLOPENTANE DECALIN S DENATURAN

T DIACETONE ALCOHO L DIBENZANTHRACENE S DIBENZOPYRENE S DIBENZO(a,h)ANTHRACENE DIBENZPHENANTHRENE S DIBUTYL ETHE R DIBUTYLPHTHALAT E DICHLOROBENZENE S DICHLORODIFLUOROMETHAN E DICHLOROMETHAN

E DICHOLROTETRAFLUOROETHAN E DIETHYLCYCLOHEXAN

E DIETHYLEN

E GLYCO L DIETHYLMETHYLCYCLOHEXAN E DIHYDRONAPTHALEN

E M W

36.4 7 119.3 8 154.4 7 88.5 4 104.4 6 228.2 9 112.2 1 56.1 1 98.1 9 84.1 6 112.2 1 70.1 3 84.1 6 300.3 6 130.1 9 108.1 4 70.0 9 120.1 9 98.1 9 84.1 6 100.1 6 98.1 4 82.1 4 204.2 7 70.1 3 204.2 7 228.2 9 68.1 2 138.2 5 138.2 5 32.0 4 116.1 8 278.3 5 302.3 7 278.3 5 278.3 5 130.2 3 278.3 5 147.0 0 120.9 1 84.9 3 170.9 2 140.2 7 106.1 2 154.2 9 130.1 9 CARBO

N N O

1. 0 1. 0 2. 0 4. 0 1. 0 18. 0 8. 0 4. 0 7. 0 6. 0 8. 0 5. 0 6. 0 24. 0 11. 0 7. 0 4. 0 9. 0 7. 0 6. 0 6. 0 6. 0 6. 0 16. 0 5. 0 16. 0 18. 0 5. 0 10. 0 10. 0 1. 0 6. 0 22. 0 24. 0 22. 0 22. 0 8. 0 16. 0 6. 0 1. 0 1. 0 2. 0 10. 0 4. 0 11. 0 10. 0 

### B- 8P.2 9

Pag e No . 8 06/26/8 9 TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBON NUMBER S OF MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E

DIHYDROXYNAPTHALENEDION E DIISOPROPYLBENZEN E DIMETHY L ALKYL AMINE S DIMETHYLBENZYLALCOHO L DIMETHYLBUTAN E DIMETHYLBUTANEDIOAT E DIMETHYLBUTEN E DIMETHYLBUTYLCYCLOHEXAN E DIMETHYLCYCLOBUTANON E DIMETHYLCYCLOHEXAN E DIMETHYLCYCLOPENTAN E DIMETHYLCYCLOPENTENE S DIMETHYLDECAN E DIMETHYLETHE R DIMETHYLETHYLBENZOI C ACI D DIMETHYLETHYLCYCLOHEXAN E DIMETHYLFORMAMID E DIMETHYLHEPTANE S DIMETHYLHEPTANO L DIMETHYLHEXADIEN E DIMETHYLHEXANEDIOAT E DIMETHYLHEXANE S DIMETHYLHEXEN E DIMETHYLINDAN S DIMETHYLINDEN E DIMETHYLNAPHTHYRIDIN E DIMETHYLNAPTHALEN E DIMETHYLNONANE S DIMETHYLOCTANE S DIMETHYLOCTANO L DIMETHYLOCTENE S DIMETHYLOCTYN E DIMETHYLPENTAN E DIMETHYLPENTANEDIOAT E DIMETHYLPENTANO L DIMETHYLPENTEN E DIMETHYLPHTHALAT E DIMETHYLTEREPHTHALAT E DIMETHYLUNDECAN E DIPHENYLETHAN E DIPROPYLEN E GLYCO L DIPROPYLPHTHALAT E DIVINYLBENZEN E DI(ETHYLPHENYL)ETHAN E DI-C 8 ALKYL PHTHALAT E DODECEN E B- 9 M W

160.1 7 162.2 7 59.1 1 136.1 9 86.1 8 146.1 4 84.1 6 168.3 2 98.1 4 112.2 1 98.1 9 96.1 7 170.3 4 46.0 7 178.2 3 140.2 7 73.0 9 128.2 6 144.2 6 110.2 0 174.1 9 114.2 3 112.2 1 146.2 3 144.2 2 158.2 0 156.2 3 156.3 1 142.2 8 158.3 2 140.2 7 138.2 5 100.2 0 160.1 7 116.2 0 98.1 9 194.1 9 194.1 9 184.3 6 182.2 6 134.1 7 250.2 9 130.1 9 i.38.3 7 390.5 6 168.3 2 CARBO

N .N O

10. 0 12. 0 3. 0 9. 0 6. 0 6. 0 6. 0 12. 0 6. 0 8. 0 7. 0 7. 0 12. 0 2. 0 11. 0 10. 0 3. 0 9. 0 9. 0 8. 0 8. 0 8. 0 8. 0 11. 0 11. 0 10. 0 12. 0 11. 0 10. 0 10. 0 10. 0 10. 0 7. 0 7. 0 7. 0 7. 0 10. 0 10. 0 13. 0 14. 0 6. 0 14. 0 10. 0 18. 0 24. 0 12. 0P.3 0

Pag e No . 06/26/8 9 TABL E E- l MOLECULA

R WEIGHT S 4 CARBO

NNUMBER S OF MOLECULE S (INALPHABETICA

L ORDER )

CHEMICA L NAME

D-LIMONEN

E EICOSANEx EPICHLOROHYDRI N ETHAN E ETHANOLAMINE ETHYL ACETAT E ETHYL ACRYLAT E ETHYL ALCOHO L ETHYL CHLORID E ETHYL ETHE R ETHYLAMIN

E ETHYLBENZEN

E ETHYLBICYCLOHEPTANE ETHYLCYCLOHEXANE ETHYLCYCLOPENTANE ETHYLCYCLOPENTENE ETHYLDIMETHYLBENZENE ETHYLDIMETHYLCYCLOHEXANE ETHYLDIMETHYLOCTANE ETHYLDIMETHYLPENTANE ETHYLDIMETHYLPHENO L ETHYLEN E ETHYLEN E DIBROMID E ETHYLEN E DICHLORID E ETHYLEN E GLYCO L ETHYLEN E OXID E ETHYLENEAMINE S ETHYLFURA

N ETHYLHEPTANE

ETHYLHEPTEN

E ETHYLHEXANE ETHYLHEXANOAT E ETHYLINDA

N ETHYLISOPROPYL ETHE R ETHYLMERCAPTA

N ETHYLMETHYLCYCLOHEXANE ETHYLMETHYLCYCLOPENTANE ETHYLMETHYLHEXANE ETHYLMETHYLOCTAN

E ETHYLOCTAN

E ETHYLOCTEN

E ETHYLPENTEN

E ETHYLPHENYLPHENYLETHANE ETHYLPROPYLCYCLOHEXANE ETHYLSTYREN

E ETHYLTOLL'Els

E M W

136.2 4 282.5 5 92.5 2 30.0 7 61.0 8 88.1 1 100.1 2 46.0 7 64.5 1 74.1 2 45.0 8 106.1 7 223.4 2 112.2 1 98.1 9 96.1 7 134.2 2 140.2 7 170.3 4 128.2 6 150.2 2 28.0 5 187.8 6 98.9 6 62.0 7 44.0 5 45.0 8 96.1 3 128.2 6 126.2 4 114.2 3 144.2 1 146.2 3 88.1 5 62.1 3 126.2 4 112.2 1 128.2 6 156.3 1 142.2 8 140.2 7 98.1 9 210.3 2 154.2 9 132.2 0 120.1 9 CARBO

N N O

10. 0 20. 0 3. 0 2. 0 2. 0 4. 0 5. 0 2. 0 2. 0 4. 0 2. 0 8. 0 16. 0 8. 0 7. 0 7. 0 10. 0 10. 0 12. 0 9. 0 10. 0 2. 0 2. 0 2. 0 2. 0 2. 0 2. 0 6. 0 9. 0 9. 0 8. 0 8. 0 11. 0 5. 0 2. 0 9. 0 8. 0 9. 0 11. 0 10. 0 10. 0 7. 0 16. 0 11. 0 10. 0 9. 0 B-1 0e n o 3 m e n o T |
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T J C OPag e No . 06/26/8 9 1

1
TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBO N NUMBER S OF MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E

ISOMER S O

F DODECANE ISOMER S O

F ETHYLTOLUEN E ISOMER S O

F HEPTADECAN E ISOMER S O

F HEPTANE ISOMER S O

F HEXANE ISOMER S O

F NONANE ISOMER S O

F OCTADECAN E ISOMER S OF OCTANE ISOMER S O

F PENTADECAN E ISOMER S OF PENTAN E ISOMER S O

F PENTEN E ISOMER S O

F PROPYLBENZEN E ISOMER S O

F TETRADECAN E ISOMER S O

F TRIDECAN E ISOMER S OF UNDECAN E ISOMER S O

F XYLEN E ISOOCTAN E ISOPENTAN E ISOPREN E ISOPROPY L ALCOHO L ISOPROPYLACETAT E ISOPROPYLBENZEN E ISOPROPYLCYCLOHEXAN E ISOPROPYLCYCLOPENTAN E ISOPROPYLMETHYLCYCLOHEXAN E ISOVALERALDEHYD E LACTO L SPIRIT S LIMONEN E MALEI C ANHYDRID E METHAN E METHOXYETHOXYBUTANON E METHOXYETHOXYETHANO L METHOXYNAPHTHALEN E METHY L ALCOHO L METHY L Cl l ESTER METHY L C1 2 ESTER METHY L C1 3 ESTER METHY L C1 4 ESTER METHY L C1 5 ESTER METHY L C1 9 ESTER METHY L C2 0 ESTER METHYLACETAT E METHYLACETOPHENON E METHYLACETYLEN E (PROPYNE ) METHYLACRYLAT E METHYLAL M W

170.3 4 120.1 9 240.4 7 100.2 0 86.1 8 128.2 6 254.5 0 114.2 3
72.1 5 70.1 3 120.1 9 198.3 9 184.3 6 156.3 1 106.1 7 114.2 3 72.1 5 68.1 2 60.1 0 102.1 3 120.1 9 126.2 4 112.2 1 140.2 7 86.1 3 114.2 3 136.2 4 98.0 6 16.0 4 116.1 6 120.1 5 158.2 0 32.0 4 214.3 5 228.3 7 242.4 0 256.4 3 270.4 5 326.5 6 340.5 9 74.0 8 134.1 8 40.0 6 86.0 9 76.1 1 CARBO

N N O

12. 0 9. 0 17. 0 7. 0 6. 0 9. 0 18. 0 8. 0 15. 0 5. 0 5. 0 9. 0 14. 0 13. 0 11. 0 8. 0 8. 0 5. 0 5. 0 3. 0 5. 0 9. 0 9. 0 8. 0 10. 0 5. 0 8. 0 10. 0 4. 0 1. 0 6. 0 5. 0 11. 0 1. 0 13. 0 14. 0 15. 0 16. 0 17. 0 21. 0 22. 0 3. 0 9. 0 3. 0 4. 0 3. 0 B-1 2P.3 3

Pag e No . 1 2 06/26/8 9 TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBO N NUMBER S O

F MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E

METHYLALLEN E METHYLAMY L KETON E METHYLANTHRACENE S METHYLBENZANTHRACENE S METHYLBENZPHENANTHREN E METHYLBIPHENY L METHYLBUTADIEN E METHYLBUTEN E METHYLBUTY L KETON E METHYLCARBITO L METHYLCELLOSOLVE . METHYLCHLORID E METHYLCHRYSENE S METHYLCYCLOHEXADIEN E METHYLCYCLOHEXAN E METHYLCYCLOHEXEN E METHYLCYCLOOCTAN E METHYLCYCLOPENTADIEN E METHYLCYCLOPENTAN E METHYLCYCLOPENTEN E METHYLDECALIN S METHYLDECANE S METHYLDECEN E METHYLDIHYDRONAPHTHAL E METHYLDODECAN E METHYLDODECANOAT E METHYLEN E BROMID E METHYLEN E CHLORID E METHYLENEBIS(C6H4NC0 ) METHYLENE(b)4-PHENYLISOCYANAT E METHYLETHY L KETON E METHYLETHYLHEPTAN E METHYLETHYLPENTANOAT E METHYLFLUORANTHENE S METHYLFORMAT E METHYLGLYOXAL METHYLHEPTAN E METHYLHEPTANO L METHYLHEPTEN E METHYLHEPTYN E METHYLHEXADIEN E METHYLHEXANA

L METHYLHEXANE flETHYLHEXENE S METHYLINDAN S METHYLINDEN E 

### B- n M W

54.0 9 114.1 9 192.2 6 242.3 2 242.3 2 168.2 4 68.1 2 70.1 3 100.1 6 120.1 5 76.1 1 50.4 9 242.3 2 94.1 6 98.1 9 96.1 7 126.2 4 80.1 3 84.1 6 82.1 4 152.2 8 156.3 1 154.2 9 144.2 2 184.3 6 214.3 5 173.8 3 84.9 3 250.2 6 250.2 7 72.1 1 142.2 8 144.2 1 216.2 8 60.0 5 72.0 6 114.2 3 130.2 6 112.2 1 110.2 0 96.1 7 114.1 9 100.2 0 98.1 9 132.2 0 130.1 9 CARBO

N N O

4. 0 7. 0 15. 0 19. 0 19. 0 13. 0 5. 0 5. 0 6. 0 5. 0 3. 0 1. 0 19. 0 7. 0 7. 0 7. 0 9. 0 6. 0 6. 0 6. 0 11. 0 11. 0 11. 0 11. 0 13. 0 13. 0 1. 0 1. 0 15. 0 15. 0 4. 0 10. 0 8. 0 17. 0 2. 0 3. 0 8. 0 8. 0 8. 0 8. 0 7. 0 7. 0 7. 0 7. 0 10. 0 10. 0P.3 4

Pag e No . 06/26/8 9 1 3
TABL E B- 1 MOLECULA

R WEIGHT S 4 CARBO

NNUMBER S OF MOLECULE S (INALPHABETICA

L ORDER )

CHEMICA L NAM E

METHYLISOBUTYL KETON E METHYLISOPROPYLCYCLOHEXAN E METHYLMETHACRYLAT E METHYLMETHYLPROPENOAT E METHYLMYRISTAT E METHYLNAPHTHALENE S METHYLNONAN

E METHYLNONEN

E METHYLOCTANE S METHYLPALMITAT E METHYLPENTAN

E METHYLPENTENE S METHYLPHENANTHRENE S METHYLPROPYLCYCLOHEXANE METHYLPROPYLNONANE METHYLSTEARAT E METHYLSTYREN

E METHYLUNDECAN

E METHYL-T-BUTYL ETHE R MINERA L SPIRIT S MYRCEN E M-DICHLOROBENZEN

E M-DIETHYLBENZEN

E M-ETHYLTOLUEN

E M-XYLEN E M-XYLEN E AN D P-XYLEN

E NAPHTH A NAPTHALENE NITROBENZENE * NONADECAN

E NONADIEN

E NONANE NONENE NONENONE NONYLPHENO L N-AMYLBENZEN

E N-BUTAN E N-BUTYL ALCOHO L N-BUTYLACETAT E N-DECAN E N-DODECAN

E N-HEPTADECAN

E N-HEXYLBENZEN

E N-PENTADECAN

E N-PENTAN

E N-PENTEN

E M W

100.1 6 140.2 7 100.1 2 100.1 3 242.4 0 142.2 0 142.2 8 140.2 7 128.2 6 270.4 5 86.1 8 84.1 6 192.2 6 140.2 7 184.3 6 298.5 1 118.1 8 170.3 4 88.1 5 114.0 0 136.2 4 147.0 0 134.2 2 120.1 9 106.1 7 106.1 7 114.0 0 128.1 7 123.1 1 268.5 2 124.2 3 128.2 6 126.2 4 140.2 2 220.3 5 148.2 5 58.1 2 74.1 2 116.1 6 142.2 8 170.3 4 240.4 7 162.2 7 212.4 2 72.1 5 70.1 3 CARBO

N N O

6. 0 10. 0 5. 0 5. 0 15. 0 11. 0 10. 0 10. 0 9. 0 17. 0 6. 0 6. 0 15. 0 10. 0 13. 0 19. 0 9. 0 12. 0 5. 0 8. 0 10. 0 6. 0 10. 0 9. 0 8. 0 8. 0 8. 0 10. 0 6. 0 19. 0 9. 0 9. 0 9. 0 9. 0 15. 0 11. 0 4. 0 4. 0 6. 0 10. 0 12. 0 17. 0 12. 0 15. 0 5. 0 5. 0 B-1 4P.3 5

Pag e No . 06/26/8 9 1 4

TABL E B- 1
MOLECULAR WEIGHT S 4 CARBO NNUMBER S O F MOLECULE S (I NALPHABETICA L ORDER )

CHEMICA L NAME

N-PENTYLCYCLOHEXANE
. N-PHENYLANILIN

E N-PROPYL ALCOHO L N-PROPYLACETAT E N-PROPYLBENZEN

E N-TETRADECAN

E N-TRIDECAN

E N-UNDECAN

E OCTAHYDROINDENE S OCTAMETHYLCYCLOTETRASILOXANE OCTAN E OCTANO L OCTATRIEN

E OCTEN E OXYGENATE S 0-DICHLOROBENZEN

E 0-ETHYLTOLUEN

E O-XYLEN E PALMITI C ACI D PARAFFIN S (C16-C34 ) PARAFFINS (C2-C7 ) PARAFFINS/OLEFIN S (C12-C16 ) PENTADIEN

E PENTANO L PENTENYN

E PENTYLBENZEN

E PENTYLCYCLOHEXAN

E PENTYLIDENECYCLOHEXANE PENTYN E PERCHLOROETHYLEN

E PERYLEN E PHENANTHREN

E PHENO L PHENYLISOCYANAT E PHENYLNAPHTHALENE S PHTHALI C ANHYDRID E PIPERYLEN

E POLYETHYLEN

E GLYCO L PROPADIEN

E PROPANE PROPEN E PROPENYLCYCLOHEXAN

E PROPIONALDEHYD E PROPIONI C ACI D PROPYLBENZEN

E PROPILCYCLOHEXAN E M W

154.2 9 169.2 3 60.1 0 102.1 3 120.1 9 198.3 9 184.3 6 156.3 1 244.0 0 296.6 2 114.2 3 130.2 3 108.1 8 112.2 1 88.1 1 147.0 0 120.1 9 106.1 7 256.4 3 352.4 3 65.1 4 197.3 8 68.1 2 88.1 5 66.1 0 148.2 5 154.2 9 152.0 0 68.1 2 165.8 3 252.3 1 178.2 3 94.1 1 119.1 2 204.2 7 148.1 2 68.1 2 62.0 7 40.0 6 44.1 0 42.0 8 124.2 3 58.0 8 74.0 8 120.1 9 126.2 4 CARBO

N N O

11. 0 12. 0 3. 0 5. 0 9. 0 14. 0 13. 0 11. 0 9. 0 8. 0 8. 0 8. 0 8. 0 8. 0 4. 0 6. 0 9. 0 8. 0 16. 0 25. 0 4. 5 14. 0 5. 0 5. 0 5. 0 11. 0 11. 0 11. 0 5. 0 2. 0 20. 0 14. 0 6. 0 7. 0 16. 0 8. 0 5. 0 2. 0 3. 0 3. 0 3. 0 9. 0 3. 0 3. 0

. 9. 0 9. 0 B-1 5P.3 6

Pag e No . 1 5 06/26/8 9 TABL E B- 1
MOLECULA

RWEIGHT S 4 CARBO N NUMBER S OF MOLECULE S (I N ALPHABETICAL ORDER )

CHEMICAL NAM

E

PROPYLEN E DICHLORID E PROPYLEN E GLYCO L PROPYLEN E OXID E PROPYLHEPTENE S PYREN E P-DICHLOROBENZEN E P-ETHYLTOLUEN E P-TOLUALDEHYD E P-XYLEN E SEC-BUTY L ALCOHO L SEC-BUTYLBENZEN E SILOXAN E STYREN E SUBSTITUTE D C 9 ESTE R(C12 ) TEREPHTHALI C ACI D TERPENE S TETRACHLOROBENZENE S TETRAFLUOROMETHAN E TETRAMETHYLBENZEN E TETRAMETHYLCYCLOBUTEN E TETRAMETHYLCYCLOPENTAN E TETRAMETHYLHEXAN E TETRAMETHYLPENTANON E TETRAMETHYLSILAN E TETRAMETHYLTHIOUREA TOLUEN E TOLUEN E DIISOCYANAT E TOLUEN E ISOCYANAT E TOTAL AROMATI C AMINE S TOTAL C2-C 5 ALDEHYDE S TRANS-1-PHENYLBUTEN E TRANS-2-BUTEN E TRANS-2-HEPTEN E TRANS-2-HEXEN E TRANS-2-N0NEN E TRANS-2-PENTEN E TRANS-3-HEXEN E TRICHLOROBENZENE S TRICHLOROFLUOROMETHAN E TRICHLOROTRIFLUOROETHAN E TRICHOLROETHYLEN E TRIETHYLEN E GLYCO L TRIFLUOROMETHAN E TRIMETHYLAMIN E TRIMETHYLBENZEN E TRIMETHYLCYCLOHEXANE S M W

112.9 9 76.0 9 58.0 8 140.2 7 202.2 5 147.0 0 120.1 9 120.1 5 106.1 7 74.1 2 134.2 2 76.0 8 104.1 5 218.3 4 166.1 3 136.2 4 215.8 9 88.0 0 134.2 2 110.2 0 126.2 4 142.2 8 142.2 4 88.2 2 132.2 2 92.1 4 174.1 6 133.1 5 93.1 3 72.1 2 132.2 0 56.1 1 98.1 9 84.1 6 126.2 4 70.1 3 84.1 6 181.4 5 137.3 7 187.3 8 131.3 9 150.1 7 70.0 1 59.1 1 120.1 9 126.2 4 CARBO

N N O

3. 0 3. 0 3. 0 10. 0 16. 0 6. 0 9. 0 8. 0 8. 0 4. 0 10. 0 0. 0 8. 0 13. 0 8. 0 10. 0 6. 0 1. 0 10. 0 8. 0 9. 0 10. 0 9. 0 4. 0 5. 0 7. 0 9. 0 8. 0 6. 0 3. 5 10. 0 4. 0 7. 0 6. 0 9. 0 5. 0 6. 0 6. 0 1. 0 2. 0 2. 0 6. 0 1. 0 3. 0 9. 0 9. 0
B-1 6P.3 7

Pag e No . 1 6 06/26/3 9 TABL E B- 1 MOLECULA

R WEIGHT S 4 CARBO

NNUMBER S OF MOLECULE S (I NALPHABETICA

L ORDER )

CARBO N CHEMICA L NAM E M W N

O

TRIMETHYLCYCLOHEXANO L TRIMETHYLCYCLOPENTANE TRIMETHYLCYCLOPENTANONE TRIMETHYLDECANE TRIMETHYLDECEN

E TRIMETHYLFLUOROSILAN E TRIMETHYLHEPTANE S TRIMETHYLHEXANE S TRIMETHYLHEXEN

E TRIMETHYLINDA

N TRIMETHYLNONEN

E TRIMETHYLOCTANES ' TRIMETHYLPENTADIEN

E TRIMETHYLPENTAN

E T-BUTYL ALCOHO L T-BUTYLBENZEN

E UNIDENTIFIE D VINYL ACETAT E VINYL CHLORID E XYLEN E BAS E ACID S 142.2 4 112.1 6 126.2 0 184.3 6 182.3 5 92.1 9 142.2 8 128.2 6 126.2 4 160.2 6 168.3 2 156.3 1 110.2 0 114.2 3 74.1 2 134.2 2 86.1 8 86.0 9 62.5 0 230.0 0 9. 0

8. 0 8. 0 13. 0 13. 0 3. 0 10. 0 9. 0 9. 0 12. 0 12. 0 11. 0 8. 0 8. 0 4. 0 10. 0 6. 0 4. 0 2. 0 8. 0

B-1 7Pag e No .

06/26/8 9 TABL E B- 2

SPECIE S PROFILE S B YBON D GROUP S FO

RCB- 4 P.3 8

CHEMICAL NAM

E OL E PA RTOL XYL FOR M ALD 2 ET H ISO P N R

1,1,1-TRICHLOROETHAN E 1,1,2-TRICHLOROETHAN E 1,2,3,4-TETRAMETHYLBENZEN E 1,2,3,5-TETRAMETHYLBENZEN E 1,2,3-TRIMETHYLBENZEN E 1,2,4,5-TETRAMETHYLBENZEN E 1,2,4-TRIMETHYLBENZEN E 1,2-DIETHYLBENZEN E l,2-DIMETHYL-3-ETHYLBENZEN E 1,2-DIMETHYL-4-ETHYLBENZEN E 1,3,5-TRIMETHYLBENZEN E 1,3-BUTADIEN E 1,3-DIETHYLBENZEN E 1,4-BUTANEDIO L 1,4-DIETHYLBENZEN E 1-BUTENE 1-BUTYNE 1-CHLOROBUTAN E 1-DECENE 1-ETH0XY-2-PR0PAN0 L 1-HEPTENE 1-HEXENE 1-METHYLCYCLOHEXEN E l-METHYL-2-ETHYLBENZEN E l-METHYL-3-ETHYLBENZEN E 1-METHYL-3-IS0PR0PYLBENZEN E 1-METHYL-3-N-PR0PYLBENZEN E 1-METHYL-4-IS0PR0PYLBENZEN E 1-NONENE 1-OCTENE 1-PENTENE 1-UNDECEN E 2,2,3-TRIMETHYLBUTAN E 3-TRIMETHYLPENTAN E 4-TRIMETHYLPENTAN E 5-TRIMETHYLHEXAN E 2-DICHL0R0NITR0ANILIN E 2-DIMETHYLBUTAN E ,2-DIMETHYLHEXAN E ,2-DIMETHYLPROPAN E ,3,3-TRIMETHYLPENTAN E ,3,3-TRIMETHYL-l-BUTEN E ,3,4-TRIMETHYLPENTAN E ,3,5-TRIMETHYLHEXAN E ,3-DIMETHYLBUTAN E ,3-DIMETHYLHEPTAN E 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 2.0 0 1.0 0 2.0 0 1.0 0 2.0 0 2.0 0 2.0 0 1.0 0 0.0 0 2.0 0 4.0 0 2.0 0 2.0 0 3.0 0 4.0 0 8.0 0 3.0 0 5.0 0 4.0 0 5.0 0 1.0 0 1.0 0 2.0 0 2.0 0 2.0 0 7.0 0 6.0 0 3.0 0 9.0 0 7.0 0 8.0 0 8.0 0 9.0 0 1.0 0 6.0 0 8.0 0 5.0 0 8.0 0 6.0 0 8.0 0 9.0 0 6.0 0 9.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0..0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 B-1 8Pag e No .

06/26/8 9 TABL E B

SPECIE S PROFILE S B

Y BON D GROUP S FO

R CB- 4 P.3 9

CHEMICA L NAME OL E PA R TOL XY

L FOR M ALD 2 ETH ISO P N R

1

A . o

mm o im
im

im

im 2

4
. 4
. 3-DIMETHYLHEXAN

E .3-DIMETHYLOCTAN

E ,3-DIMETHYLPENTANE ' ,3-DIMETHYL-l-BUTEN

E

. 4,4-TRIMETHYL-l-PENTEN E ,4,5-TRIMETHYLHEPTAN E ,4-DIMETHYLHEPTAN

E .4-DIMETHYLHEXAN

E ,4-DIMETHYLOCTAN

E ,4-DIMETHYLPENTAN

E ,5-DIMETHYLHEPTAN

E ,5-DIMETHYLHEXAN

E ,6-DIMETHYLOCTAN

E ,6-DIMETHYLSTYREN

E 2-BUTYLTETRAHYDROFURA N 2-BUTYN E 2-ETHYLHEXANO

L 2-ETHYL-l-BUTEN

E 2-ETHYL-1-HEXAN0 L 2-FURFURA

L 2-HEXEN E 2-METHYLDECAN

E 2-METHYLHEPTAN

E 2-METHYLHEXAN

E 2-METHYLOCTAN

E 2-METHYLPENTAN

E 2-METHYLPROPAN

E 2-METHYLPROPEN

E 2-METHYLPROPEN

E 2-METHYL-l,3-BUTADIEN E 2-METHYL-l-BUTEN

E 2-METHYL-l-PENTEN

E 2-METHYL-2-BUTEN

E 2-METHYL-2-PENTEN

E 2-METHYL-3-HEXAN0N

E 2-(2-BUT0XYETH0XY)-ETHAN0 L 3,3-DIMETHYLPENTAN

E 3,4-DIMETHYLOCTAN

E 3,5,5-TRIMETHYLHEXAN E 3,5-DIMETHYLHEPTAN

E 3-HEPTEN

E 3-METHYLHEPTAN

E 3-METHYLHEXAN

E 3-METHYLOCTAN

E 3-METHYLPENTAME 3-METHYL-l-BUTEN

E 3-METHYL-l-PENTEN

E 0.0 0

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0,0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 8.0 0 10.0 0 7.0 0 5.0 0 7.0 0 10.0 0 9.0 0 8.0 0 10.0 0 7.0 0 9.0 0 8.0 0 10.0 0 0.0 0 6.0 0 3.0 0 8.0 0 5.0 0 8.0 0 1.0 0 2.0 0 11.0 0 8.0 0 7.0 0 9.0 0 6.0 0 4.0 0 2.0 0 2.0 0 0.0 0 4.0 0 5.0 0 3.0 0 4.0 0 7.0 0 4.0 0 7.0 0 10.0 0 9.0 0 9.0 0 3.0 0 8.0 0 7.0 0 9.0 0 6.0 0 3.0 0 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 B-1 9 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 .0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 

### o;o o 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0Pag e No .

06/26/8 9 TABL E B SPECIE S PROFILE S B YBON D GROUP S FO

RCB- 4 P.4 0

CHEMICAL NAM

E OL E PA RTOL XYL FOR M ALD 2 ET H ISO P N R

3-METHYL-CIS-2-PENTEN E 3-METHYL-TRANS-2-PENTEN E 3-(CHLOROMETHYL)-HEPTAN E 4,4-METHYLEN E DIANILIN E 4-METHYLANILIN E 4-METHYLHEPTAN E 4-METHYLNONAN E 4-METHYLOCTAN E 4-METHYL-l-PENTEN E 4-METHYL-CIS-2-PENTEN E 4-METHYL-TRANS-2-PENTEN E 4-PHENYL-l-BUTEN E ACENAPHTHEN E ACENAPHTHYLEN E ACETALDEHYD E ACETI C ACI D ACETI C ANHYDRID E ACETON E ACETYLEN E ACROLEI N

(PROPENAL ) ACRYLI C ACI D ACRYLONITRIL E ADIPI C ACI D ALIPHATIC S (pe r carbon ) ALKEN E KETONE AMINOANTHRAGUINON E ANILIN E ANTHANTHREN E ANTHRACEN E ANTHRAQUINON E A-PINEN E BENZALDEHYD E BENZEN E BENZOI C ACI D BENZOPYRENE S BENZOTHIAZOL E BENZO(a)ANTHRACEN E BENZO(a)PYREN E BENZO(b)FLUORANTHEN E BENZO(c)PHENANTHREN E BENZO(e)PYREN E BENZO(g,h,i)FLUORANTHEN E BENZO(g,h,i)PERYLEN E BENZO(k)FLUORANTHEN E BENZYLCHLORID E BIPHENY L BIPHENYLO L 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.5 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 4.0 0 4.0 0 8.0 0 1.0 0 0.0 0 8.0 0 10.0 0 9.0 0 4.0 0 2.0 0 2.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 2.0 0 3.0 0 1.0 0 0.0 0 0.0 0 1.0 0 4.0 0 1.0 0 2.0 0 2.0 0 1.0 0 0.0 0 1.0 0 2.0 0 6.0 0 0.0 0 1.0 0 1.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.00

. 1.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 2.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.5 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 3.0 0 2.0 0 0.0 0 1.0 0 2.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 2.0 0 0.0 0 0.0 0 12.0 0 5.0 0 7.0 0 5.0 0 12.0 0 0.0 0 5.0 0 5.0 0 6.0 0 3.0 0 5.0 0 3.0 0 3.0 0 5.0 0 3.0 0 3.0 0 3.0 0 6.0 0 5.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0

B-2 0P.4 1

Pag e No . 4 06/26/8 9 TABL E B- 2

SPECIE S PROFILE S B Y BON D GROUP S FO R CB- 4

CHEMICA L NAM E OL E PA R TO L XY L FOR M ALD 2 ET H ISO P N R

BROMODINITROANILINE BROMODINITROBENZENE BUTEN E BUTOXYBUTENE BUTOXYETHOXYETHANO L BUTOXYETHOXYETHANO L ACETAT E BUTYL CARBITO L BUTYL CELLOSOLV

E BUTYLACRYLAT E BUTYLBENZENE BUTYLBENZOAT E BUTYLBENZYLPHTHALAT E BUTYLCYCLOHEXANE - BUTYLISOPROPYLPHTHALAT E BUTYRALDEHYD E B-PHELLANDREN

E B-PINEN E C I COMPOUND S (DIESE L EXHAUST ) CI O AROMATI C CI O COMPOUND S CI O OLEFIN S CI O PARAFFIN S C10H1 2 C10H1 6 C10H16 0 Cl l COMPOUND S Cl l OLEFIN S Cl l PARAFFI N C11H1 0 C11H14 0 C1 2 COMPOUND S C1 2 OLEFINS C1 2 PARAFFI N C12H2 2 C1 3 COMPOUND S C1 3 PARAFFI N C1 4 COMPOUND S CI 5 COMPOUND S (DIESE L

(DIESE L

(DIESE L

(DIESE L (DIESE L (DIESE L C1 6 BRANCHE D ALKAN

E C1 6 COMPOUND S C1 7 COMPOUND S C1 8 COMPOUND S C1 9 COMPOUND S (DIESE L

(DIESE L (DIESE L (DIESE L C 2 ALKYLANTHRACENE S EXHAUST )

EXHAUST )

- EXHAUST )

EXHAUST ) EXHAUST ) EXHAUST )
EXHAUST ) EXHAUST ) EXHAUST ) EXHAUST ) C 2 ALKYLBENZANTHRACENE C 2 ALKYLBENZOPHENANTHRENE C 2 ALKYLCHRYSENE S 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 1.0 0 0.0 0 0.0 0 0.1 9 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.1 5 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 2.0 0 4.0 0 4.0 0 5.0 0 4.0 0 4.0 0 4.0 0 3.0 0 5.0 0 5.0 0 10.0 0 8.0 0 2.0 0 6.0 0 8.0 0 0.0 1 3.0 0 5.4 8 8.0 0 10.0 0 2.0 0 10.0 0 8.0 0 10.7 0 9.0 0 11.0 0 3.0 0 2.0 0 5.0 0 10.0 0 12.0 0 12.0 0 6.0 0 13.0 0 7.0 0 8.0 0 16.0 0 9.0 0 10.0 0 11.0 0 12.0 0 3.0 0 2.0 0 2.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0,0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.2 9 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 1.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.2 7 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 2.0 0 2.0 0 2.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 5.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 6.0 0 7.0 0 0.0 0 7.0 0 

### o.o o 0.0 0 0.0 0 0.9 9 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 3.0 0 3.0 0 3.0 0 B-2 1P.4 2

Pag e No . 06/26/8 9 TABL E B- 2

SPECIE S PROFILE S B YBON D GROUP S FO

RCB- 4

CHEMICAL NAM

E

C 2 ALKYLCYCLOHEXAN E C 2 ALKYLINDA

N C 2 ALKYLNAPTHALEN E . C 2 ALKYLPHENANTHRENE S C 2 COMPOUND S (DIESE L EXHAUST) C2 0 COMPOUND S (DIESE L EXHAUST) C2 1 COMPOUND S (DIESE L EXHAUST) C2 2 COMPOUND S (DIESE L EXHAUST) C2 3 COMPOUND S (DIESE L EXHAUST) C2 4 COMPOUND S (DIESE L EXHAUST) C2 5 COMPOUND S (DIESE L EXHAUST) C2 6 COMPOUND S (DIESE L EXHAUST ) C2 7 COMPOUND S (DIESE L EXHAUST" ) C2 8 COMPOUND S (DIESE L EXHAUST ) C2 9 COMPOUND S (DIESE L EXHAUST ) C 3 ALKYLCYCLOHEXAN E C 3 ALKYLSTYREN E C 3 COMPOUND S (DIESE L EXHAUST) C 3 PARAFFIN C3 0 COMPOUND S (DIESE L EXHAUST ) Co l COMPOUND S (DIESE L EXHAUST) C3 2 COMPOUND S (DIESE L EXHAUST) C3 3 COMPOUND S (DIESE L EXHAUST ) C3 4 COMPOUND S (DIESE L EXHAUST) C3 5 COMPOUND S (DIESE L EXHAUST) C3 6 COMPOUND S (DIESE L EXHAUST ) C3 7 COMPOUND S (DIESE L EXHAUST ) C3 8 COMPOUND S (DIESE L EXHAUST ) C3 9 COMPOUND S (DIESE L EXHAUST ) C3/C4/C 5 ALKYLBENZENE S " C 4 ALKYLPHENOL S C 4 ALKYLSTYRENE S C 4 COMPOUND S (DIESE L EXHAUST) C 4 OLEFI N C 4 PARAFFI N C 4 SUBSTITUTE D CYCLOHEXAN E C 4 SUBSTITUTE D CYCLOHEXANON E C4 0 COMPOUND S (DIESE L EXHAUST) C4 1 COMPOUND S (DIESE L EXHAUST ) C4 2 COMPOUND S (DIESE L EXHAUST ) C4 3 COMPOUND S (DIESE L EXHAUST) C 5 ALKY L CYCLOHEXAN E C 5 ALKYLBENZENE S C 5 ALKYLBENZENE S (UNSATURATED ) C 5 ALKYLPHENOL S C 5 COMPOUND S (DIESE L EXHAUST ) C 5 ESTE R OL E

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 4 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 4 0.0 0 PA

R

8.0 0 3.0 0 4.0 0 3.0 0 0.7 7 13.0 0 14.0 0 15.0 0 16.0 0 17.0 0 18.0 0 19.0 0 20.0 0 21.0 0 22.0 0 9.0 0 2.0 0 1.0 7 3.0 0 23.0 0 24.0 0 25.0 0 26.0 0 27.0 0 28.0 0 29.0 0 30.0 0 31.0 0 32.0 0 3.0 0 3.0 0 3.0 0 3.7 0 2.0 0 4.0 0 10.0 0 10.0 0 33.0 0 34.0 0 35.0 0 36.0 0 11.0 0 4.0 0 2.0 0 4.0 0 4.6 0 6.0 0 TO

L

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 XYL

0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 FOR M

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ALD 2

0.0 0 0.0 0 ' 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.1 1 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.1 5 0.0 0 ET

H

0.0 0 0.0 0 0.0 0 0.0 0 0.1 2 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ISO P

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0.0 0 0.0 0 0.0 0 5.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.1 2 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 B-2 2Pag e No .

06/26/8 9 TABL E B- 2

SPECIE S PROFILE S B Y BON D GROUP S FO R CB-4

CHEMICA L NAM E OL E PA R TO L XY L FOR M ALD I ET H ISO P N R

C 5 OLEFI N C 5 PARAFFI N C 5 PARAFFIN/OLEFI N. C 5 SUBSTITUTE D CYCLOHEXAN E C5H10 0 C 6 ALKYLBENZENE C o COMPOUND S (DIESE L EXHAUST ) C 6 OLEFIN S C 6 PARAFFI N C 6 SUBSTITUTE D CYCLOHEXAN E C6H1803SI 3 C 7 ALKYLBENZENE C 7 COMPOUND S (DIESE L EXHAUST)

- C 7 CYCLOPARAFFIN S C 7 OLEFIN S C 7 PARAFFIN S C7H1 2 C7H12 0 C7-C1 6 C 8 COMPOUND S (DIESE L EXHAUST ) C 8 CYCLOPARAFFIN S C 8 OLEFIN S C 8 PARAFFI N C 8 PHENOL S C8H1 4 C8H2404SI 4 C 9 COMPOUND S (DIESE L EXHAUST ) C 9 CYCLOPARAFFIN S C 9 OLEFIN S C 9 PARAFFI N C 9 PHENOL S CAMPHENE CAPROLACTA

M CARBITO L CARBO NDISULFID E CARBO NTETRACHLORID E CARBONYL SULFID E CARYOPHYLLENE CELLOSOLV

E CELLOSOLV

E ACETAT E CHLOROBENZENE CHLORODIFLUOROMETHANE CHLOROFOR

M CHLOROPENTAFLUOROETHANE CHLOROPRENE CHLOROTRIFLUOROMETHANE CHRYSENE 1,0 0 0.0 0 0.5 0 0.0 0 0.0 0 0.0 0 0.2 2 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.2 1 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 3.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 3.0 0 5.0 0 4.0 0 11.0 0 5.0 0 5.0 0 4.5 0 4.0 0 6.0 0 12.0 0 6.0 0 6.0 0 1.4 0 7.0 0 5.0 0 7.0 0 5.0 0 5.0 0 11.0 0 4.9 0 8.0 0 6.0 0 8.0 0 1.0 0 6.0 0 8.0 0 3.6 2 9.0 0 7.0 0 9.0 0 2.0 0 8.0 0 5.0 0 2.0 0 1.0 0 0.0 0 0.0 0 9.0 0 2.0 0 3.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.8 0 0.0 0 0.0 0 0.0 0 0.0 0 

### o.o o 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 6 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.3 4 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.6 1 0.0 0 0.0 0 0.0 0 

### o.o o 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 

### o.o o 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 7 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 6 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0,0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.9 3 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 5.0 0 1.0 0 1.0 0 2.0 0 0.0 0 1.0 0 3.0 0 B-2 3Pag e No .

06/26/8 9 TABL E B- 2

SPECIE S PROFILE S B Y BON D GROUP S FO R CB-4 P.4 4

CHEMICA L NAM E OL E PA R TO L XY L FORM ALD 2 ET H ISO P N R
CIS-1,4-DIMETHYLCYCLOHEXANE CIS-2-BUTENE CIS-2-HEPTENE CIS-2-HEXEN

E CIS-2-0CTENE CIS-2-PENTENE CIS-3-HEXENE CORONENE CREOSOT E CRESO L CROTONALDEHYD E CUMENE (ISOPROPYL BENZENE ) CYCLOHEPTANE CYCLOHEXAN

E CYCLOHEXANO L CYCLOHEXANONE CYCLOHEXEN

E CYCLOPENTAANTHRACENE S CYCLOPENTANE CYCLOPENTAPHENANTHRENE S CYCLOPENTA(c,d)PYRENE CYCLOPENTENE CYCLOPENTYLCYCLOPENTANE DECALIN S DENATURAN

T DIACETONE ALCOHO L DIBENZANTHRACENE S DIBENZOPYRENE S DIBENZO(a,h)ANTHRACENE DIBENZPHENANTHRENE S DIBUTYL ETHE R DIBUTYLPHTHALAT E DICHLOROBENZENE S DICHLORODIFLUOROMETHANE DICHLOROMETHANE DICHOLROTETRAFLUOROETHANE DIETHYLCYCLOHEXANE DIETHYLEN

E GLYCO L DIETHYLMETHYLCYCLOHEXANE DIHYDRONAPTHALENE DIHYDROXYNAPTHALENEDIONE DIISOPROPYLBENZENE DIMETHYL ALKYL AMINE S DIMETHYLBENZYLALCOHO L DIMETHYLBUTANE DIMETHYLBUTANEDIOAT E DIMETHYLBUTENE 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 3.0 0 0.0 0 3.0 0 2.0 0 4.0 0 1.0 0 2.0 0 0.0 0 1.0 0 0.0 0 0.0 0 2.0 0 7.0 0 6.0 0 6.0 0 6.0 0 2.0 0 3.0 0 5.0 0 3.0 0 2.0 0 1.0 0 10.0 0 10.0 0 1.0 0 4.0 0 1.0 0 1.0 0 1.0 0 1.0 0 6.0 0 9.0 0 1.0 0 0.0 0 0.0 0 0.0 0 10.0 0 2.0 0 11.0 0 2.0 0 2.0 0 4.0 0 3.0 0 1.0 0 6.0 0 4.0 0 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.00 " 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0

" 1.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 2.0 0 2.0 0 2.0 0 2.0 0 2.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 

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06/26/8 9 TABL E B

SPECIE S PROFILE S B

Y BON D GROUP S FO

R CB- 4 P.4 6

CHEMICA L NAM E OL E PA R TOL XY

L FOR M ALD 2 ET

H ISO P N

R

ETHY L CHLORID E ETHY L ETHE R ETHYLAMIN E ETHYLBENZEN E ETHYLBICYCLOHEPTAN E ETHYLCYCLOHEXAN E ETHYLCYCLOPENTAN E ETHYLCYCLOPENTEN E ETHYLDIMETHYLBENZEN E ETHYLDIMETHYLCYCLOHEXAN E ETHYLDIMETHYLOCTAN E ETHYLDIMETHYLPENTAN E ETHYLDIMETHYLPHENO L ETHYLEN E ETHYLEN E DIBROMID E ETHYLEN E DICHLORID E ETHYLEN E GLYCO L ETHYLEN E OXID E ETHYLENEAMINE S ETHYLFURA N ETHYLHEPTAN E ETHYLHEPTEN E ETHYLHEXAN E ETHYLHEXANOAT E ETHYLINDA N ETHYLISOPROPY L ETHE R ETHYLMERCAPTA N ETHYLMETHYLCYCLOHEXAN E ETHYLMETHYLCYCLOPENTAN E ETHYLMETHYLHEXAN E ETHYLMETHYLOCTAN E ETHYLOCTAN E ETHYLOCTEN E ETHYLPENTEN E ETHYLPHENYLPHENYLETHAN E ETHYLPROPYLCYCLOHEXAN E ETHYLSTYREN E ETHYLTOLUEN E ETHYL-T-BUTY L ETHE R FLUORANTHEN E FLUOREN E FORMALDEHYD E FORMI C ACI D FURFURY L ALCOHO L GLYCERO L GLYCO L GLYCO L ETHE R 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.4 0 1.0 0 16.0 0 8.0 0 7.0 0 5.0 0 2.0 0 10.0 0 12.0 0 9.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.4 0 1.0 0 0.4 0 2.0 0 9.0 0 7.0 0 8.0 0 7.0 0 3.0 0 3.0 0 2.0 0 9.0 0 8.0 0 9.0 0 11.0 0 10.0 0 8.0 0 5.0 0 1.0 0 11.0 0 1.0 0 1.0 0 4.0 0 

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TABL E B- 2

SPECIE S PROFILE S B

Y BON D GROUP S FO

R CB- 4 P.4 7

CHEMICA L NAM E

6LY0XA L HENEICOSANE HEPTADIENA

L HEPTANE HEPTANONE HEPTENE HEXADECANE HEXADECANOI C ACI D HEXADIENA

L HEXAFLUOROETHANE HEXAMETHYLENEDIAMINE HEXANA L HEXANE HEXENE HEXYLENE GLYCO L HEXYNE INDAN E INDEN E INDEN0(l,2,3-cd)PYRENE ISOAMYL ALCOHO L ISOAMYLBENZENE ISOBUTAN

E ISOBUTYL ALCOHO L ISOBUTYLACETAT E ISOBUTYLACRYLAT E ISOBUTYLBENZENE ISOBUTYLEN

E ISOBUTYLISOBUTYRAT E ISOBUTYRALDEHYD E ISOMER S O F BUTENE ISOMER S O F BUTYLBENZENE ISOMER S O F C10H1 0 ISOMER S O F C10H1 8 ISOMER S O F C11H2 0 ISOMER S O F C9H1 6 ISOMER S O F DECANE ISOMER S O F DIETHYLBENZEN E ISOMER S O F DODECAN

E ISOMER S O F ETHYLTOLUENE ISOMER S O F HEPTADECANE ISOMER S O F HEPTANE ISOMER S O F HEXANE ISOMER S O F NONANE ISOMER S OF OCTADECAN E ISOMER S O F OCTANE ISOMER S O F PENTADECANE ISOMER S O F PENTANE OL E

0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.5 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 PA

R

1.0 0 21.0 0 1.0 0 7.0 0 7.0 0 5.0 0 16.0 0 15.0 0 0.0 0 0.0 0 6.0 0 4.0 0 6.0 0 4.0 0 6.0 0 5.0 0 1.0 0 0.0 0 0.0 0 5.0 0 4.0 0 4.0 0 4.0 0 5.0 0 4.0 0 3.0 0 2.0 0 7.0 0 2.0 0 2.0 0 3.0 0 0.0 0 8.0 0 11.0 0 7.0 0 10.0 0 2.0 0 12.0 0 1.0 0 17.0 0 7.0 0 6.0 0 9.0 0 18.0 0 8.0 0 15.0 0 5.0 0 TO

L

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 XY

L

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 FOR

M

1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ALD2

0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ET

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0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ISO P

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 N

0

. 0 < 0.0 ( 

### o.o c o.o c 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 

### o.o o 1.0 0 0.0 0 ~0.0 0 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 B-2 7Pag e No .

06/26/8 9 1

1
TABL E B- I
SPECIE S PROFILE S B YBON D GROUP S FO

RCB- 4 P.4 8

CHEMICAL NAM

E

ISOMER S OF PEMTEN E ISOMER S OF PROPYLBENZEN E ISOMER S OF TETRADECAN E ISOMER S O

F TRIDECAN E ISOMER S OF UNDECAN E ISOMER S O

F XYLEN E ISOOCTAN E ISOPENTAN E ISOPREN E ISOPROPY L ALCOHO L ISOPRQPYLACETAT E ISOPROPYLBENZEN E ISOPROPYLCYCLOHEXAN E ISOPROPYLCYCLOPENTAN E ISOPROPYLMETHYLCYCLOHEXAN E ISOVALERALDEHYD E LACTO L SPIRITS. . LIMONEN E MALEI C ANHYDRID E METHAN E METHOXYETHOXYBUTANON E METHOXYETHOXYETHANO L METHOXYNAPHTHALEN E METHY L ALCOHO L METHY L Cl l ESTE R METHY L C1 2 ESTE R METHY L C1 3 ESTE R METHY L C1 4 ESTE R METHY L C1 5 ESTE R METHY L C1 9 ESTE R METHY L C2 0 ESTE R METHYLACETAT E METHYLACETOPHENON E METHYLACETYLEN E (PROPYNE ) METHYLACRYLAT E METHYLAL METHYLALLEN E METHYLAMY L KETON E METHYLANTHRACENE S METHYLBENZANTHRACENE S METHYLBENZPHENANTHREN E METHYLBIPHENY L METHYLBUTADIEN E METHYLBUTEN E METHYLBUTY L KETON E METHYLCARBITO L METHYLCELLOSOLV E OL E

1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 1.0 0 0.0 0 0.0 0 0.0 0 PA

R

3.0 0 2.0 0 14.0 0 13.0 0 11.0 0 0.0 0 8.0 0 5.0 0 0.0 0 1.5 0 4.0 0 2.0 0 9.0 0 8.0 0 10.0 0 3.0 0 8.0 0 4.0 0 0.0 0 0.0 0 5.0 0 3.0 0 3.0 0 1.0 0 12.0 0 13.0 0 14.0 0 15.0 0 16.0 0 20.0 0 21.0 0 2.0 0 1.0 0 2.0 0 1.0 0 3.0 0 1.0 0 7.0 0 2.0 0 1.0 0 1.0 0 0.0 0 1.0 0 3.0 0 6.0 0 3.0 0 1.0 0 TO

L

0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 XY

L

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 FOR

M

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ALD 2

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 2.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 l.C- 3 ET

H

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ISO P

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 M

R

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 

### o.o o 0.0 0 1.5 0 1.0 0 0.0 0 0.0 0 0.0 0 0.-0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 5.0 0 3.0 0 3.0 0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 R-? 8P.4 9

• •** ,Pacj e No .

06/26/3 9 TABL E B- 2

SPECIE S PROFILE S B Y BON D GROUP S FO R CB-4 P.5 0

CHEMICA L NAM E OL E PA R TO L XY L FORM ALD 2 ET H ISO P N R

METHYLPHENANTHRENE S METHYLPROPYLCYCLOHEXANE METHYLPROPYLNONANE METHYL3TEARAT E METHYLSTYRENE METHYLUNDECANE METHYL-T-BUTYL ETHE R MINERA L SPIRIT S MYRCENE M-DICHLOROBENZENE M-DIETHYLBENZENE M-ETHYLTOLUENE M-XYLEN E M-XYLEN E AN D P-XYLEN

E NAPHTH A NAPTHALENE NITROBENZENE NONADECANE NONADIENE NONANE NONEN E NONENON E NONYLPHENO L N-AMYLBENZEN

E N-BUTAN E N-BUTYL ALCOHO L N-BUTYLACETAT E N-DECAN E N-DODECAN

E N-HEPTADECAN

E N-HEXYLBENZEN

E N-PENTADECANE N-PENTAN

E N-PENTENE N-PENTYLCYCLOHEXANE N-PHENYLANILINE N-PROPYL ALCOHO L N-PROPYLACETAT E N-PROPYLBENZENE N-TETRADECANE N-TRIDECAN

E N-UNDECAN

E OCTAHYDROINDENE S OCTAMETHYLCYCLOTETRASILOXANE OCTAN E OCTANO L OCTATRIEN

E 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 3.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 2.0 0 10.0 0 13.0 0 18.0 0 0.0 0 12.0 0 3.0 0 6.0 0 4.0 0 1.0 0 2.0 0 1.0 0 0.0 0 0.0 0 8.0 0 2.0 0 1.0 0 19.0 0 3.0 0 9.0 0 7.0 0 7.0 0 8.0 0 4.0 0 4.0 0 4.0 0 5.0 0 10.0 0 12.0 0 17.0 0 5.0 0 15.0 0 5.0 0 3.0 0 11.0 0 0.0 0 1.5 0 4.0 0 2.0 0 14.0 0 13.0 0 11,0 0 9.0 0 8.0 0 8.0 0 8.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0,0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0,0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 1.5 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 B-3 0Pag e No .

06/26/8 9 1 4 TABL E B- 2

SPECIE S PROFILE S B YBON D GROUP

S FO R CB- 4 P.5 1

CHEMICA L NAME

OCTENE OXYGENATE S 0-DICHLOROBENZEN

E 0-ETHYLTOLUEN

E O-XYLEN E PALMITI C ACI D PARAFFIN S (C16-C34 ) PARAFFIN S (C2-C7 ) PARAFFINS/OLEFIN S (C12-C16 ) PENTADIENE PENTANO L PENTENYNE PENTYLBENZENE PENTYLCYCLOHEXANE PENTYLIDENECYCLOHEXANE PENTYNE PERCHLOROETHYLENE PERYLENE PHENANTHRENE PHENO L PHENYLISOCYANAT E PHENYLNAPHTHALENE S PHTHALI C ANHYDRID E PIPERYLENE POLYETHYLENE GLYCO L PROPADIEN

E PROPANE PROPENE PROPENYLCYCLOHEXANE PROPIONALDEHYD E PROPIONI C ACI D PROPYLBENZENE PROPYLCYCLOHEXANE PROPYLENE DICHLORID E PROPYLENE GLYCO L PROPYLENE OXID E PROPYLHEPTENE S PYREN E P-DICHLOROBENZENE P-ETHYLTOLUEN

E P-TOLUALDEHYD E P-XYLEN E SEC-BUTYL ALCOHO L SEC-BUTYLBENZENE SILOXAME STYREN E SUBSTITUTE D C 9 ESTE R (C12 ) OL E

1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.5 0 2.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 1.5 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.5 0 0.0 0 PA

R

6.0 0 4.0 0 1.0 0 1.0 0 0.0 0 15.0 0 25.0 0 4.5 0 13.0 0 1.0 0 5.0 0 2.0 0 4.0 0 11.0 0 10.0 0 4.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 1.0 0 2.0 0 0.0 0 1.5 0 1.0 0 7.0 0 1.0 0 2.0 0 2.0 0 9.0 0 1.5 0 1.5 0 2.0 0 8.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 4.0 0 3.0 0 0.0 0 0.0 0 12.0 0 TO L

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 B

XY L

0.0 0 0.0 0 .0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 3 1 FOR

M

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ALD 2

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 

## o.o o 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ET

H

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 

## -o.o o 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ISO P

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 N

R

0.0 0 0.00
. 5.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 2.0 0 5.0 0 5.0 0 5.0 0 6.0 0 0.0 0 7.0 0 0.0 0 0.0 0 0.0 0 1.5 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 1.5 0 1.5 0 1.0 0 0.0 0 1.0 0 5.0 0 0.0 0 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0Pag e No . 1 5

06/26/8 9

SPECIE S

CHEMICAL NAM

E

TEREPHTHALI C ACI D . TERPENE S TETRACHLOROBENZENE S - TETRAFLUOROMETHAN E TETRAMETHYLBENZEN E TETRAMETHYLCYCLOBUTEN E TETRAMETHYLCYCLOPENTAN E TETRAMETHYLHEXAN E TETRAMETHYLPENTANON E TETRAMETHYLSILAN E TETRAMETHYLTHIOUREA TOLUEN E TOLUEN E DIISQCYANAT E TOLUEN E ISOCYANAT E TOTA L AROMATI C AMINE S TOTA L C2-C 5 ALDEHYDE S TRANS-1-PHENYLBUTEN E TRANS-2-BUTEN E TRANS-2-HEPTEN E TRANS-2-HEXEN E TRANS-2-NQNEN E TRANS-2-PENTEN E TRANS-3-HEXEN E TRICHLOROBENZENE S TRICHLOROFLUOROMETHAN E TRICHLOROTRIFLUOROETHAN E TRICHOLROETHYLEN E TRIETHYLEN E GLYCO L TRIFLUOROMETHAN E TRIMETHYLAMIN E TRIMETHYLBENZEN E TRIMETHYLCYCL0HEXANE 3 TRIMETHYLCYCLOHEXANO L TRIMETHYLCYCLOPENTAN E TRIMETHYLCYCLOPENTANON E TRIMETHYLDECAN E TRIMETHYLDECEN E TRIMETHYLFLUOROSILAN E TRIMETHYLHEPTANE S TRIMETHYLHEXANE S TRIMETHYLHEXEN E TRIMETHYLINDA

N TRIMETHYLNONEM E TRIMETHYLOCTANE S TRIMETHYLPENTADIEN E TRIMETHYLPENTAN E T-BUTY L ALCOHO L TABL E B- 2
PROFILE S B

YBON D GROUP S FO

RCB OL E

0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 2.0 0 0.0 0 0.0 0 PA

R

1.0 0 8.0 0 1.0 0 0.0 0 2.0 0 6.0 0 9.0 0 10.0 0 9.0 0 4.0 0 4.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.5 0 1.0 0 0.0 0 3.0 0 2.0 0 5.0 0 1.0 0 2.0 0 1.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 3.0 0 1.0 0 9.0 0 9.0 0 8.0 0 8.0 0 13.0 0 11.0 0 2.0 0 10.0 0 9.0 0 7.0 0 4.0 0 10.0 0 11.0 0 4.0 0 8.0 0 4.0 0 TO

L

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 1.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 XY

L

0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 4

FOR M

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ALD 2

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 2.0 0 2.0 0 2.0 0 2.0 0 2.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 

## o.o o 0.0 0 -

ET

H

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.00_

_ 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 ISO P

0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 N

R

7 .00 0.0 0 5.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 2.0 0 1.0 0 5.0 0 - 0.0 0 0.0 0 0.0 0
. 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 5.0 0 1.0 0 2.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 B-3 2Pag e No .

06/26/89

- 1 6
TABL E 8- 2

SPECIE S PROFILE S B

Y BON D GROUP S FO

R CB- 4 P.5 3

CHEMICA L NAM E OL E PA R TOL XY

L FOR M ALD 2 ET

H ISO P N

R

T-BUTYLBENZEN

E UNIDENTIFIE D VINYL ACETAT E VINYL CHLORID E XYLEN E BAS E ACID S 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 2.0 0 6.0 0 1.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 1.0 0 0.0 0 1.0 0 0.0 0 0.0 0

B-3 3 

# JP.5 4



### APPENDI XC

TES T CAS E RU

N OUTPU T

C- 1P.5 5P.5 6



### mttmtmmmttmtmtmtmtt OZON E ISOPLET HPLOTTIN GPACKAG E WIT HOPTIONA L HECHAHISH S OZIPM- 4 HAT , 198 9 

### tmmtmmtmmtmtmmttm

C- 2P.5 7P.5 8

TES T CAS E

PHOTOLYTI C RAT E CONSTANT S CALCULATE DFOR

LO S ANGELES , CALIF . '

LATITUD E 34.05 8
LONGITUD E 118.25 0
TIME ZON E 7. 0
DAT E 6 2 1 198 6
TIME 80 0 T O 180 0 LOCAL DAYLIGH T TIM E

DILUTIO N DETERMINE DFRO

M TH E FOLLOWIN

G INVERSIO N HEIGHT S INITIAL 510 . FINAL 630 . TIMIN GSTAR T 800 . STO P 1500 .

MIXIN GHEIGHT S (A

T TH E BEGINNIN

GO F EAC HHOUR )
TIME 80 0 90 0 100 0 110 0 120 0 130 0 140 0 150 0 HEIGH T 510. 0 530. 9 557. 3 582. 0 600. 2 613. 1 622. 6 630. 0

REACTIVIT Y EMISSION S ET H FRACTION 0.03 7 OL E FRACTION

0.03 5 ALD 2 FRACTIO

N 0.05 2 EMISSION S FOR

M FRACTIO N 0.02 1 TO L FRACTION

0.08 9 XYL FRACTION

0.11 7 EMISSION S PA

RFRACTIO N 0.56 4 N RFRACTIO

N 0.08 5 N02/H0 X 0.25 0

C-3P.5 9

flS 

## c a

# . *• ^ M I



## men * 0 3

. ft aft* c i t VI * $ 1P.6 0



### APPENDI XD

-EXAMPL E O F SINGL E CALCULATIO N OUTPU T

D- 1P.6 1



### tmtmttttmmmttmtttmtmt OZON E ISOPLET HPLOTTIN

GPACKAG E WIT HOPTIONAL MECHANISM S OZIPM- 4 MAY , 198 9 

### tttmmmmutmntmmmtm

D- 2TRANSPORTE DCONCENTRATION S ALOF T OZON E 0.04 0 HYDROCARBON 0.03 0 NOX0.00 2 PPM

CONTINUOU S EMISSION S (EXPRESSE DA S FRACTIO N O F TH E INITIAL PRECURSORS ) SPECIE S HOU

R1 2 3 4 5 6 7 8 9 1 0 1 1
VO C FRACTIO

N 0.07 9 0.06 5 0.06 3 0.04 4 0.02 7 0.01 9 0.01 8 0.01 5 0.01 4 0.01 8 0.00 9 NOXFRACTIO

N 0.21 5 0.16 3 0.14 9 0.10 9 0.07 3 0.05 0 0.05 1 0.04 2 0.03 8 0.04 7 0.02 4
COFRACTIO

N 0.03 8 0.05 6 0.04 1 0.03 4 0.03 4 0.03 4 0.03 4 0.03 8 0.04 1 0.04 5 0.06 0

TRANSPORTE DBIOGENI C CONCENTRATION S

SURFAC E LAYERISO P 0.00 0 API N 0.00 0 ALOF T ISO P 0.00 0 API N 0.00 0

TH E FOLLOWIN

GBIOGENI C SPECIE S AR E TREATE DA S HYDROCARBON S (EXPRESSE DA S BONDFRACTIONS )
API N ET HFRACTIO

N 0.00 0 OL E FRACTIO

N 0.50 0 ALD 2 FRACTIO

N 1.50 0 FOR M FRACTIO N 0.00 0 TO L FRACTIO

N 0.00 0 XYL FRACTIO

N 0.00 0 PA RFRACTIO N 6.00 0 N RFRACTIO

N 0.00 0

BIOGENI C EMISSION S (I

N UNIT S O F PPM/HR ) SPECIE S HOU

R1 2 3 4 5 6 7 8 9 1 0 1 1 ISO P 0.00 0 0.00 0 0.00 0 0.00 0 0.00 1 0.00 1 0.00 2 0.00 2 0.00 1 0.00 1

0.00 1
API N 0.00 0 0.00 0 0.00 0 0.00 0 0.00 1 0.00 1 0.00 2 0.00 1 0.00 1 0.00 1

O'.OO l



### B- 4P.6 3 f

I EXAMPL E O F SINGL E CALCULATION

PHOTOLYTI C RAT E CONSTANT S CALCULATE DFO R

TES T CITY

LATITUD E 38.62 9 LONGITUD E 90.20 6
TIME ZONE 6. 0
DAT E 6 2 1 198 8
TIME 80 0 T O180 0 LOCAL DAYLIGH T TIM E

DILUTION . DETERMINE DFRO

M TH E FOLLOWIN

G INVERSIO N HEIGHT S INITIAL 250 . FINAL
TIMIN GSTAR T 800 . STO P

MIXIN GHEIGHT S (A

T TH E BEGINNIN

GO F EAC HHOUR )
TIME 80 0 90 0 100 0 110 0 120 0 HEIGH T 250. 0 503. 1 821. 2 1119. 5 1340. 2

TEMPERATUR E (A

T TH E BEGINNIN

GO F EAC HHOUR ) HOU R0 1 2 3 4 1 0 1 1
TEMP 294. 0 296. 0 299. 0 301. 0 304. 0

304. 0 302. 0

RELATIVE HUMIDi n(A

T TH E BEGINNIN

GO F EAC HHOUR ) HOU R0 1 2 3 4 1 0 1 1
R H(X ) 80. 0 75. 0 50. 0 45. 0 40. 0

35. 0 40. 0
iD- 3 1700 . 1500 .

130 0 1496. 2



### 5

305. 0



### 5

35. 0 140 0 1610. 8



### 6

307. 0



### 6

30. 0 150 0 1700. 0



### 7

308. 0



### 7

30. 0 

### 8

306. 0



### 8

30. 0 . . _



### 9

305. 0



### 9

30. 0P.6 4



## aoo . 900

- 1000
. 1100
. \200

- 1600

- 1400

- 1500
. 1600
. 1100
. iaoo

. woe /

0.6001 0 0.42922 0.2162 9 0.201 TM 0.1696 6 0.1418 * 0.1220 1

' 0.U02 6 0.1088 1 0.1040 6

0 .1046 6 , 0 

## *


## ... . 

## ..«• *
10.0012 8 9.2021 2 9.6421 5 10.2641 6 11.6908 1 19.4461 2
o2.66& « 39.2180 0 45.1581 8 41.1859 6 42A6166 0

. 0.0466 4 0.0296 1 0.0202 9

0 .0138 4 0.0012 9 0.0031 1 0.0028 1 ft.00234 0.0022 1 0.0024 8 0.2500 0
0.5295 6 0.6101 0 0.1458 2 0.8U8 6 0.8105 1 0.9096 4 0.9245 6 0.9323 1 0.9454 0 0.9680 8 

### o.oooo o 0.0215 9 0.0398 8 ft.05104 0.0189 2 0.1061 8 0.1319 8 0.1415 5 0.1596 5 0.1658 3 0.1682 6 **»A 0.9680 8 ^ ••" * o 16130 am** 1 1 " -P.6 5

WATE RCONCENTRATION S (A

T TH E BEGINNINGO F EAC HHOUR )
HOU R0 1 2 3 4 5 6 7 8 9
' 1 0 1 1
PPM 19333 . 20417 . 16210 . 16349 . 17176 . 15875 . 15159 . 15989 . 14366 . 13607 . 15029 . 15373 . PRESSUR E 29.9 5 INCHE S OF HG

REACTIVIT Y EMISSION S ET HFRACTIO N 0.03 7 OL E FRACTIO

N 0.03 5 ALD 2 FRACTIO

N 0.05 2 EMISSION S FOR

M FRACTIO N 0.02 1 TO L FRACTIO

N 0.08 9 XYL FRACTIO

N 0.11 7 EMISSION S PA

RFRACTIO N 0.56 4 N RFRACTIO

N 0.08 5 ALOF T ET HFRACTIO N 0.03 4 OL E FRACTIO

N 0.02 0 ALD 2 FRACTIO

N 0.03 7 ALOF T FOR

M FRACTIO N 0.07 0 TO L FRACTIO

N 0.04 2 XYL FRACTIO

N 0.02 6 ALOF T PA

RFRACTIO N0.49 8 N RFRACTIO N0.27 3 N02/N0 X0.25 0

D- 50.360 + P.6 6

0.400 + -- + + + + + - + + + + +

0.320 +

,0.280 + 000 0 0 0 0 + 00 0 0 0 0 00 0 0 0 0 0 0 0 0 0 0 0 0
C 0 N C 0.240 + I N T R A 0.200 + T I 0
0.160 +

0.120 +

0.080 +

0.040 + 0 0

0 0 0 1 0 00 0 00 0 0.000 + + + + - + + + + + + — i 800 . 900 . 1000 . 1100 . 1200 . 1300 . 1400 . 1500 . 1600 . 1700 . 1800 . TIME (LDT )

TES T CAS EP.6 7

0.200+- — + + + + + + + + +

0.180 +

0.160 + 00 0 0 1 0 0 0 0 00 0 0 0 00 0
0.140 + 

## c 0 N C 0.120 + 0 0 0 0

A 0.100 + T I 0 N 0.080 + P P M 0 0

0.060 + 0 0

0.040 + 0 0 0 0 0 0 0 0

0 0 0.020 + 0

0 0 0 1 0 0
0.000 + + + + + + + — + + + + 800 . 900 . 1000 . 1100 . 1200 . 1300 . 1400 . 1500 . 1600 . 1700 . 1800 . TIM E (LDT )

EXAMPL E O F SINGC E CALCULATIONP.6 8

•**..
.P.6 9

HATE RCONCENTRATION S (A

T TH E BEGINNIN

GO F EAC HHOUR ) HOU R0 1 2 3 4 5 0 • 1 0 1 1 1 PP M 19333 . 20417 . 16210 . 16349 . 17176 . 15875 . 15159 . 15989 . 14366 . 13607 . 15029 . 15373 . PRESSUR E 29.9 5 INCHE S O F HG

REACTIVIT Y EMISSION S ET

HFRACTIO N0.03 7OL

E FRACTIO N0.03 5 ALD

2FRACTIO N0.05 2
EMISSION S FOR

M FRACTIO N 0.02 1 TO L FRACTIO

N 0.08 9 XYL FRACTIO

N 0.11 7 EMISSION S PA

RFRACTIO N0.56 4N RFRACTIO N0.08 5 ALOF T ET

HFRACTIO N0.03 4OL

E FRACTIO N0.02 0ALD2FRACTIO

N0.03 7 ALOF T FOR

MFRACTIO N0.07 0TO

L FRACTIO N0.04 2XY

L FRACTIO N0.02 6 ALOF T PA

RFRACTIO N0.49 8 N RFRACTIO N0.27 3 N02/N0 X0.25 0

D- 5P.7 0

EXAMPL E O F SINGL E CALCULATION
TIM E NMO C (LDT ) TOTAL 80 0 90 0
100 0
110 0
120 0
130 0
140 0
150 0
160 0
170 0 180 0 0.8001 0
0.4292 2
0.2762 9
0.2077 0
0.1693 3 0.1418 4
0.1220 7
0.1102 8
0.1058 1
0.1040 8
0.1046 8 NHOC /

NOX 10.0012 5
9.2027 2
9.3427 5
10.2347 8
12.6908 1 19.4431 2
32.3684 9
39.2180 0
45.1587 6 47.1859 6
42.1373 5 NOX

TOTAL 0.0800 0
0.0466 4
0.0295 7
0.0202 9
0.0133 4
0.0072 9
0.0037 7 0.0028 1
0.0023 4 0.0022 1 0.0024 B N0 2

FRACTION 0.2500 0
0.5295 6
0.6707 0
0.7458 2
0.8143 6 0.8705 7
0.9096 4 0.9245 6
0.9323 1 0.9454 0 0.9680 3 0 3

(INSTANT )
0.0000 0
0.0215 9
0.0398 8
0.0570 4
0.0789 2
0.1067 8
0.1319 8
0.1475 5
0.1596 5 0.1658 3 0.1682 6 MAXIMU MON EHOURAV E0 3 0.1673 0 CENTERE DAT 1730 . LD T



### D-6P.7 1

0.200 +

0.000 + + + + + + + + + + + 800 . 900 . 1000 . 1100 . 1200 . 1300 . 1400 . 1500 . 1600 . 1700 . 1800 . TIM E (LDT )

EXAMPL E O F SINGLE " CALCULATIONP.7 2



### APPENDI XE

EXAMPL E O F EKM

A OPTIO N OUTPU T

E- lP.7 3



### tmmttmmtmmttmmmtm OZONE ISOPLET HPLOTTIN

GPACKAGE WIT HOPTIONA

L MECHANISM S OZIPM- 4 MAY , 198 9 

### ttttmtnmtmmnmmtmmtt

EzZP.7 4

EXAMPL E O F EKM

A OPTIO N

PHOTOLYTI C RAT E CONSTANT S CALCULATE DFO R
TES T c m
LATITUD E 38.62 9
LONGITUD E 90.20 6
TIME ZONE 6. 0
DAT E 6 2 1 198 8
TIME ...

k80 0 T O180 0 LOCA L DAYLIGH T TIME

DILUTION.DETERMINE DFRO

M TH E FOLLOWIN

G INVERSIO N HEIGHT S INITIA

L 250 . FINA

L 1700 . TIMIN GSTAR T 800 . STO P 1500 .

MIXIN GHEIGHT S (A

T TH E BEGINNIN

GO F EAC HHOUR )
TIME 80 0 90 0 100 0 110 0 120 0 130 0 140 0 150 0 HEIGH T 250. 0 503. 1 821. 2 1119. 5 1340. 2 1496. 2 1610. 8 1700. 0

TEMPERATUR E (A

T TH E BEGINNIN

GO F EAC HHOUR ) HOU R0 1 2 3 4 5 6 7 8 9 1 0 1 1 TEM P294. 0 296. 0 299. 0 301. 0 304. 0 305. 0 307. 0 308. 0 306. 0 305. 0

304. 0 302. 0

RELATIV E HUMIDIT Y(A

T TH E BEGINNIN

GOF EACHHOUR ) HOU R0 1 2 3 4 5 6 7 8 9 1 0 1 1
R H(X ) 80. 0 75. 0 50. 0 45. 0 40. 0 35. 0 30. 0 30. 0 30. 0 30. 0

35. 0 40. 0

E - 3P.7 5

HATE RCONCENTRATION S (A

T TH E BEGINNIN

GO F EACHHOUR )
HOU R'01234 5 0 1 0 1 1 1 PPM 19333 . 20417 . 16210 . 16349 . 17176 . 15875 . 15159 . 15989 . 14366 . 13607 . 15029 . 15373 . PRESSURE 29.9 5 INCHE S OF H G

REACTIVITY EMISSION S ET

HFRACTIO N0.03 7OL

E FRACTIO N0.03 5 ALD2FRACTIO

N0.05 2 EMISSION S FOR

MFRACTIO N0.02 1 TO

L FRACTIO N0.08 9 XY

L FRACTIO N0.11 7 EMISSION S PA

RFRACTIO N0.56 4N RFRACTIO N0.08 5 ALOF T ET

HFRACTIO N0.03 4OL

E FRACTIO N0.02 0ALD2FRACTIO

N0.03 7 ALOF T FOR

MFRACTIO N0.07 0TO

L FRACTIO N0.04 2XY

L FRACTIO N0.02 6 ALOF T PA

RFRACTIO N0.49 8 N RFRACTIO N0.27 3 N02/N0 X0.25 0



### E- 4P.7 6

TRANSPORTE

D CONCENTRATION

S ALOF T OZON

E 0.04 0 HYDROCARBO N0.03 0 NO

X 0.00 2 PP

M

CONTINUOU S EMISSIONS (EXPRESSE

D AS FRACTIO

NO F TH E INITIA L PRECURSORS

) SPECIE S HOU

R1 2 3 4 5 6 7 8 9 1 0

1 1 VO C FRACTIO

N0.09 9 0.08 1 0.07 9 0.05 5 0.03 4 0.02 4 0.02 3 0.01 8 0.01 8 0.02 2 0.01 2 NO X FRACTIO

N 0.21 5 0.16 3 0.14 9 0.10 9 0.07 3 0.05 0 0.05 1 0.04 2 0.03 8 0.04 7 0.02 4 C O FRACTIO

N 0.03 8 0.05 6 0.04 1 0.03 4 0.03 4 0.03 4 0.03 4 0.03 8 0.04 1 0.04 5 0.06 0

TRANSPORTE DBIOGENI C CONCENTRATION S

SURFAC E LAYE RISO P 0.00 0 API N 0.00 0 ALOF T ISO P 0.00 0 API N 0.00 0

TH E FOLLOWIN

GBIOGENI C SPECIE S AR E TREATE DA S HYDROCARBON S (EXPRESSE DA S BONDFRACTIONS )
API N ET HFRACTION

0.00 0 OL E FRACTIO

N 0.50 0 ALD 2 FRACTIO

N 1.50 0 FOR M FRACTIO N 0.00 0 TO L FRACTIO

N 0.00 0 XY

L FRACTIO N 0.00 0 PA RFRACTIO N 6.00 0 N RFRACTIO N 0.00 0

BIOGENI C EMISSION S (IN

UNIT S O F PPM/HE ) SPECIE S HOUR1 2 3 4 5 6 7 8 9 1 0

1 1 ISO P 0.00 0 0.00 0 0.00 0 0.00 0 0.00 1 0.00 1 0.00 2 0.00 2 0.00 1 0.00 1

0.00 1 API N 0.00 0 0.00 0 0.00 0 0.00 0 0.00 1 0.00 1 0.00 2 0.00 1 0.00 1 0.00 1

0.00 1

tE- 5P.7 7

EKM A CALCULATION S AR

E PERFORME

D T O ESTIMAT E SITE-SPECIFI C VO

C CONTRO L REQUIREMENT S

BAS E YEA ROZON E 0.15 0PP M BAS E YEA RNMOC/NO X8.00 0 ANTICIPATE D CHANG

E I NNO X-10.00 0PERCENT FUTUR E OZON E TRANSPORTED ALOFT 0.04 0PP M

* FUTUR E NMO C TRANSPORTED ALOFT 0.02 4 PPMC . FUTUR E NO XTRANSPORTED ALOFT 0.00 2PP M EMISSIO NCREDIT S HIL L B E ALLOWE D FO RC O

i ANTICIPATE D CHANG E I HC O -50.00 0PERCEN T FUTUR E C O TRANSPORTED ALOF T 0.50 0PP M FUTUR E BIOGENI C EMISSION S HIL L B E SE T FO RISO P ANTICIPATE D CHANG

E I NISO P0.00 0PERCENT FUTUR E ISO PTRANSPORTED I NTH E SURFAC E LAYE

R0.00 0PP

M FUTUR E ISO PTRANSPORTED ALOF T 0.00 0PP M FUTUR E BIOGENI C EMISSION S HIL L B E SE T FO RAPI N ANTICIPATE D CHANG

E I NAPI N0.00 0PERCENT FUTUR E API NTRANSPORTED I NTH E SURFAC E LAYE

R0.00 0PP

M FUTUR E API NTRANSPORTED ALOFT 0.00 0PP M FUTUR E OZON E I NTH E SURFAC E LAYER0.00 0PP M FUTUR E NMO C I NTH E SURFAC E LAYE

R0.00 0PPMC FUTUR E NO XI NTH E SURFAC E LAYE

R0.00 0PP

M

E- 6 • - ' -P.7 8 1

NMOC

1.0000 0 0.8272 0 0.5209 6 0.5958 1 0.5884 4 0.2942 2 0,3787 8 0.3941 0 0.3979 9 0.3984 4 TH E FOLLOWIN GSIMULATION S HER E DONE . 

### NO X 0.1250 0 0.1034 0 0.0651 2

• 0.0744 8 0" . 0735 6 0.0662 0 0.0662 0 0.0662 0 0.0662 0 0.0662 0 RATI O

8.0000 0 8.0000 0 8.0000 1 8.0000 0 8.0000 0 4.4444 5 5.7217 9 5.9532 3 6.0119 8 6.0187 9

VO C CONTRO L REQUIREMEN T I S 

### 0 3 0.1813 3 0.1700 3 0.1435 2 0.1507 1 0.1500 0 0.0932 1 0.1158 9 0.1191 7 0.1199 1 .0.1199 9

32. 3 PERCEN T TIME NO T MA X 1730 . 1730 . 1730 . NO T MA X NO T MA X 1730 . 1730 . 1730 . 1730 .

E-7 -P.7 9



### APPENDI XF

EXAMPL E O F BASE-CAS E ISOPLET HOUTPU T

F- 1P.8 0



### tnmtuttutmmnttmttmtttn OZON E ISOPLET HPLOTTIN

GPACKAG E HIT HOPTIONA

L MECHANISM S OZIPM- 4 MAY , 198 9 

### ttnttmmtmttmmttttmttun

Fr2

.P.8 1

EXAMPL E O F BAS E CAS E ISOPLET H

PHOTOLYTI C RAT E CONSTANT S CALCULATE DFO R

TES T CIT Y

LATITUD E 38.62 9
LONGITUD E 90.20 6
TIME ZONE 6. 0
DAT S 6 2 1 198 8
TIME 80 0 T O 180 0 LOCAL DAYLIGH T TIM E

DILUTION . DETERMINE DFRO

M TH E FOLLOWIN

G INVERSIO N HEIGHT S INITIAL 250 . FINAL 1700 . TIMIN GSTAR T 800 . STO P 1500 .

MIXIN GHEIGHT S (A

T TH E BEGINNINGO F EAC HHOUR )
TIME 80 0 90 0 100 0 110 0 120 0 130 0 140 0 150 0 HEIGH T 250. 0 503. 1 821. 2 1119. 5 1340. 2 1496. 2 1610. 8 1700. 0

TEMPERATUR E (A

T TH E BEGINNIN

GO F EAC HHOUR ) HOU R0 1 2 3 4 5 6 7 8 9 1 0 1 1 TEM P294. 0 296. 0 299. 0 301. 0 304. 0 305. 0 307. 0 308. 0 306. 0 305. 0 304. 0 302. 0

RELATIV E HUMIDIT Y (A T TH E BEGINNIN G O F EAC HHOUR ) HOU R0 1 23 4 5 6 7 8 9 1 01 1 R H(X) 80. 0 75. 0 50. 0 45. 0 40. 0 35. 0 30. 0 30. 0 30. 0 30. 0

35. 0 40. 0
F- 3P.8 2

HATERCONCENTRATION S (A

T TH E BEGINNIN

GO F EAC HHOUR )
HOU R0 1 2 3 4 5 1 0 1 1 1
PP M 19333 . 20417 . 16210 . 16349 . 17176 . 15875 . 15159 . 15989 . 14366 . 13607 . 15029 . 15373 . PRESSUR E 29.9 5 INCHE S O F HG

REACTIVITY EMISSION S ET

HFRACTIO

N0.03 7 OL

E FRACTIO

N0.03 5 ALD

2FRACTIO N0.05 2 EMISSION S FOR

M FRACTIO N0.02 1 TO

L FRACTIO

N0.08 9 XY

L FRACTIO

N0.11 7 EMISSION S PA

RFRACTIO

N0.56 4 N

RFRACTIO

N0.08 5 ALOF T ET

HFRACTIO

N0.03 4 OL

E FRACTIO

N0.02 0 ALD2FRACTIO

N0.03 7 ALOF T FOR

M FRACTIO N0.07 0 TOL FRACTION0.04 2XY L FRACTIO

N0.02 6 ALOF T PA

RFRACTIO

N0.49 8 N

RFRACTION0.27 3 N02/N0 X0.25 0



### F-4P.8 3

CO ' 

### tfjon mimtfW Ko.os o w 0 00 2 ? W 

### ^.m*o.os

o - 0.04 0

6 '

B106OW C0HC1»^ 10 * S 

### o.oo o


### «•" * M l ••*•

* ^

mffiSSV! * ^S S o.oo o 

# - *=s: » •

mnt f

tfll o.oo iP.8 4

TH E FOLLOWIN

GSIMULATION S HER E DONE .

NMOC 0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0 . 0.0000 0
0.2000 0
0.2000 0 0.2000 0
0.2000 0
0.2000 0
0.2000 0
0.2000 0
0.2000 0
0.2000 0
0.2000 0
0.2000 0 0.4000 0 0.4000 0
0.4000 0 0.4000 0 NO

X
0.0000 0
0.0280 0
0.0560 0
0.0840 0
0.1120 0
0.1400 0
0.1680 0
0.1960 0
0.2240 0
0.2520 0 0.2800 0
0.0000 0 0.0280 0
0.0560 0 0.0840 0 0.1120 0
0.1400 0 0.1680 0 0.1960 0
0.2240 0
0.2520 0
0.2800 0 0.0000 0 0.0280 0
0.0560 0 0.0840 0 RATI O

0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0
0.0000 0
7.1428 6 3.5714 3 2.3809 5 1.7857 1
1.4285 7 1.1904 8
1.0204 1 0.8928 6
0.7936 5
0.7142 9 0.0000 0
14.2857 2 7.1428 6 4.7619 1 0

3
6.19867E-0 2
8.26974E-0 2
4.70933E-0 2
3.31751E-0 2
2.65932E-0 2 2.26974E-0 2
1.99119E-0 2
1.78783E-0 2
1.63376E-0 2
1.50636E-0 2 1.40032E-0 2
6.20564E-0 2 1.05297E-0 1 9.43855E-0 2 5.57804E-0 2 3.95178E-0 2
3.08421E-0 2 2.52848E-0 2
2.17718E-0 2 1.916028-0 2 1.71695E-0 2 1.56914E-0 2 6.00081E-0 2 1.18297E-0 1
1.30707E-0 1 9.95114E-0 2 

### F- 6P.8 5

- 0.4000 0 0.4000 0 0.4000 0 0.4000 0 0.4000 0 0.4000 0

* 0.4000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.60000.

_ 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.8000 0 0,8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.1120 0

0.1400 0 0.1680 0 0.1960 0 0.2240 0 0.2520 0 0.2800 0 0.0000 0 0.0280 0 0.0560 0 0.0840 0 0.1120 0 0.1400 0 0.1680 0 0.1960 0 0.2240 0 0.2520 0 0.2800 0 0.0000 0 0.0280 0 0.0560 0 0.0840 0 0.1120 0 0.1400 0 0.1680 0 0.1960 0 0.2240 0

F - 7 3.5714 3

2.8571 4 2.38095 2.0408 2 1.7857 1 1.5873 0 1.4285 7 0.0000 0 21.4285 7 10.7142 9 7.1428 6 5.3571 4 4.2857 2 3.5714 3 3.0612 2 2.6785 7 2.38095 2.1428 6 0.0000 0 28.5714 3 14.28572 9.5238 1 7.1428 6 5.7142 9 4.7619 1 4.0816 3 3.5714 3 6.46477E-0 2

4.68295E-0 2 3.61432E-0 2 2.93161E-0 2 2.46876E-0 2 2.13950E-0 2 1.89471E-0 2 5.82304E-0 2 1.25606E-0 1 1.48342E-0 1 1.47483E-0 1 1.05377E-0 1 7.32448E-0 2 5.43256E-0 2 4.25025E-0 2 3.43116E-0 2 2.85593E-0 2 2.42927E-0 2 5.69717E-0 2 1.28725E-0 1 1.59763E-0 1 1.70739E-0 1 L57060E-0 1 1.11763E-0 1 8.17086E-0 2 j i 6.23803E-0 2 4.90160E-0 2P.8 6

0.8000 0 0.8000 0
1.0000 0
1.0000 0
1.0000 0
1.0000 0
1.0000 0
1.0000 0
1.0000 0 1.0000 0
1.0000 0
1.0000 0 1.0000 0
1.2000 0 1.2000 0 1.2000 0
1.2000 0
1.2000 0
1.2000 0
1.2000 0
1.2000 0
1.2000 0
1.2000 0
1.2000 0 1.4000 0
1.4000 0 1.4000 0
1.4000 0 0.2520 0

0.2800 0
0.0000 0
0.0280 0
0.0560 0
0.0840 0
0.1120 0
0.1400 0
0.1680 0 0.1960 0
0.2240 0
0.2520 0 0.2800 0
0.0000 0 0.0280 0 0.0560 0 0.0840 0
0.1120 0 0.1400 0
0.1680 0 0.1960 0
0.2240 0
0.2520 0 0.2800 0 0.0000 0
0.0280 0
0.0560 0
0.0840 0 3.1746 0

2.8571 4
0.0000 0
35.7142 8
17.8571 3
11.9047 6
8.9285 7
7.1428 6
5.9523 8 5.1020 4
4.4642 9
3.9682 5 3.5714 3
0.0000 0 42.8571 3 21.4285 6 14.2857 1
10.7142 8
8.5714 3 7.1428 6
6.1224 5
5.3571 4 4.7619 0 4.2857 1
0.0000 0
49.9999 8
24.9999 8
16.6666 6 3.95948E-0 2

3.27368E-0 2
5.60606E-0 2
1.29388E-0 1
1.66818E-0 1
1.85116E-0 1
1.88138E-0 1 1.61823'E-0 1
1.18390E-0 1 8.98018E-0 2 7.01978E-0 2
5.58351E-0 2 4.52679E-0 2
5.53239E-0 2 1.28923E-0 1 1.70819E-0 1 1.94747E-0 1
2:05820E-0 1 2.00852E-0 1
1.64852E-0 1
1.25300E-0 1 9.76331E-0 2
7.77631E-0 2 6.25198E-0 2 5.47609E-0 2
1.27696E-0 1 1.72843E-0 1 2.01083E-0 1 

### F- 8P.8 7

1.4000 0
1.4000 0
1.4000 0
1.4000 0
1.4000 0
1.4000 0
1.4000 0
1.6000 0
1.6000 0
1.6000 0 1.6000 0
1.6000 0
1.6000 0 1.6000 0 1.6000 0
1.6000 0 1.6000 0
1.6000 0 1.8000 0 1.8000 0 

## i.aooo o
1.8000 0 1.8000 0 1.8000 0
1.8000 0 1.8000 0 1.8000 0 1.8000 0 0.1120 0

0.1400 0
0.1680 0
0.1960 0
0.2240 0
0.2520 0
0.2800 0
0.0000 0 0.0280 0
0.0560 0 0.0840 0
0.1120 0 0.1400 0 0.1680 0 0.1960 0
0.2240 0 0.2520 0 0.2800 0 0.0000 0 0.0280 0
0.0560 0
0.0840 0
0.1120 0
0.1400 0 0.1680 0 0.1960 0 0.2240 0 0.2520 0 12.5000 0

10.0000 0
8.3333 3
7.1428 6
6.2500 0
5.5555 5
5.0000 0
0.0000 0 57.1428 7
28.5714 3 19.0476 2 14.2857 2 11.4285 7 9.5238 1 8.1632 7
7.1428 6 6.3492 1
5.7142 9 0.0000 0 64.2857 1
32.1428 5
21.4285 7
16.0714 3 12.8571 5
10.7142 9 9.1836 7 8.0357 2 7.1428 6 2.17370E-0 1

2.22733E-0 1
2.09372E-0 1
1.68540E-0 1 1.32008E-0 1
1.05273E-0 1
8.51101E-0 2
5.42701E-0 2 1.26161E-0 1
1.73300E-0 1 2.05178E-0 1
2.25630E-0 1 2.36951E-0 1 2.36352E-0 1 2.13872K-0 1
1.72655E-0 1 1.38444E-0 1
1.12470E-0 1 5.38590E-0 2 1.24793E-0 1 1.72898E-0 1
2.07516E-0 1
2.31264E-0 1 2.46524E-0 1
2.53611E-0 1 2.47534E-0 1 2.17375E-0 1 1.76680E-0 1


### F: 9P.8 8

1.8000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0
2.0000 0 - 2.0000 0 0.2800 0

0.0000 0
0.0280 0
0.0560 0
0.0840 0
0.1120 0
0.1400 0 0.1680 0
0.1960 0
0.2240 0
0.2520 0 0.2800 0 6.4285 7

0.0000 0
71.4285 6
35.7142 8
23.8095 2
17.8571 3 14.2857 2
11.9047 6
10.2040 8 8.9285 7
7.9365 1 7.1428 6 1.44204E-0 1

5.34188E-0 2
1.23546E-0 1
1.72080E-0 1
2.08454E-0 1
2.35256E-0 1
2.53984E-0 1
2.65070E-0 1
2.67808E-0 1
2.54963E-0 1 2.19327E-0 1 1.81379E-0 1

F'-l uT— + + + + + + + + +

0.280 + P.8 9

0.240 + + + + + + + + + ++ +

0.200 +

N 0 X0.160 +
P P H ++ + + + ++ + ++ + +++ • ++ + « + ++ + ++ + + + + + + +

++ + ++ + 0.120 +

0.080 +

0.040 + + + ++ + ++ +

++ +

+ + +

+ + T + +++++++++ + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ I

0.000 + + + + + - 0.00 0 0.2 0 0.4 0 0.6 0 0. 8 + + — 1.0 0 1.2 0 NMO C (PPMC ) .. + + + +

1.4 0 1.6 0 1.8 0 2. C

EXAMPL E O F BAS S CAS S ISOPLET H

TH E 0 3 LINE S ARE 0.1500 0 

### F-l lP.9 0

—X

O </ 5

O
IO < x C D

c r X

82* 0 *2* 0 02* 0 9I" 0 21* 0 80* 0 (Udd ) XO N *0* 0 

### oo-c P
F-1 2P.9 1



### APPENDI XG

£XAMPL E O F FUTUR E CAS E ISOPLET HOUTPU T

G- 1P.9 2

************************************ * OZONE ISOPLET HPLOTTIN

GPACKAGE HIT HOPTIONAL MECHANISM S OZIPM- 4 MAY , 198 9

************************************ *



### 6- 2EXAMPL E O F FOTUR E CAS E ISOPLET H

PHOTOLYTI C RAT E CONSTANT S CALCULATE DFOR

TES T CITY

LATITUD E 38.62 9
LONGITUD E 90.20 6
TIM E ZON E 6. 0
DAT E 6 2 1 198 8
TIME 80 0 T O 180 0 LOCA L DAYLIGH T TIME

DILUTIO N DETERMINE DFRO

M TH E FOLLOWIN

G INVERSIO N HEIGHT S INITIA

L 250 . FINAL 1700 . TIMIN GSTAR T 800 . STO P 1500 .

MIXIN GHEIGHT S (A

T TH E BEGINNIN

GO F EAC HHOUR )
TIME 80 0 90 0 100 0 110 0 120 0 130 0 140 0 150 0 HEIGH T 250. 0 503. 1 821. 2 1119. 5 1340. 2 1496. 2 1610. 8 1700. 0

TEMPERATUR E (A

T TH E BEGINNINGO F EAC HHOUR ) HOU R 0 1 1 0 1 1 2 3 4 5 7 8

TEM P294. 0 296. 0 299. 0 301. 0 304. 0 305. 0 307. 0 308. 0 306. 0 305 . C

304. 0 302. 0

REUTIV E HUMIDIT Y (A T TH E BEGINNIN G O F EAC HHOUR ) 0 1 0 1 1 1 (X ) 80. 0 75. 0 50. 0 45. 0 40. 0 35. 0 30. 0 35. 0 40. 0 7 8 9

30. 0 30. 0 3

0

'6- 3P.9 4

HATE RCONCENTRATION S (A

T TH E BEGINNINGO F EAC HHOUR )
HOU R 7 8 1 0 1 1
PPM 19333 . 20417 . 16210 . 16349 . 17176 . 15875 . 15159 . 15989 . 14366 . 13607 . 15.029 . 15373 . PRESSUR E 29.9 5 INCHE S O F H G

REACTIVIT Y EMISSION S BT

HFRACTIO N0.03 7OLE FRACTIO N0.03 5 ALD 2FRACTIO N0.05 2 EMISSION S FOR

MFRACTIO N0.02 1 TOL FRACTIO N0.08 9XY L FRACTIO N0.11 7 EMISSION S PARFRACTION0.56 4N RFRACTIO N0.08 5 ALOFT ET

HFRACTIO N0.03 4OL

E FRACTIO N0.02 0ALD 2FRACTIO N0.03 7 ALOFT FOR

MFRACTIO N0.07 0TOL FRACTIO N0.04 2XY L FRACTIO N0.02 6 ALOF T PARFRACTIO N0.49 8N RFRACTIO N0.27 3 N02/N0 X0.25 0

G- 4TRANSPORTE D CONCENTRATION

S ALOF T OZON

E 0.04 0 HYDROCARBO N0.02 4 NO

X 0.00 2PP

M

CONTINUOU S EMISSION S (EXPRESSE DA S FRACTIO N O F TH E INITIAL PRECURSORS ) SPECIE S HOUR 1 2 3 4 5 6 7- 8 9 1 0 1 1 VO C FRACTIO

N 0.09 9 0.08 1 0.07 9 0.05 5 0.03 4 0.02 4 0.02 3 0.01 8 0.01 8 0.02 2 0.01 2 NO X FRACTIO

N 0.21 5 0.16 3 0.14 9 0.10 9 0.07 3 0.05 0 0.05 1 0.04 2 0.03 8 0.04 7 0.02 4 C O FRACTIO

N 0.01 9 0.02 8 0.02 1 0.01 7 0.01 7 0.01 7 0.01 7 0.01 9 0.02 1 0.02 3 O.03 O

TRANSPORTE

D BIOGENI C CONCENTRATION

S

SURFAC E LAYE RISO

P0.00 0 API

N 0.00 0 ALOF T ISO P0.00 0 API N0.00 0

TH E FOLLOWIN

G BIOGENI C SPECIE S AR

E TREATE D A S HYDROCARBON

S (EXPRESSE D A S BON

D FRACTIONS ) API N BT HFRACTIO

N 0.00 0 OL E FRACTIO

N 0.50 0 ALD 2 FRACTIO

N 1.50 0 FOR M FRACTION 0.00 0 TO L FRACTIO

N 0.00 0 XY L FRACTIO

N 0.00 0 PA RFRACTIO N 6.00 0 N RFRACTIO

N 0.00 0

BIOGENI C EMISSION S (I N

UNIT S OF PPM/HR ) SPECIB S HOUR1 2 3 4 5 6 7 8 9 1 0

1 1 ISO P

API N 0.00 0 0.00 0 0.00 0 0.00 0 0.00 1 0.00 1 0.00 2 0.00 2 0.00 1 0.00 1

0.00 1 0.00 0 0.00 0 0.00 0 0.00 0 0.00 1 0.00 1 0.00 2 0.00 1 0.00 1 0.00 1 0.00 1

G- 5TH E FOLLOHIN GSIMULATION S HER E DONE .

NMO C 0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0
0.0000 0
0.2000 0
0.2000 0 0.2000 0
0.2000 0
0.2000 0 0.2000 0 0.-2000 0
0.2000 0
0.2000 0
0.2000 0
0.2000 0 0.4000 0 0.4000 0
0.4000 0 NO

X
0.0000 0
0.0280 0
0.0560 0
0.0840 0 0.1120 0
0.1400 0
0.1680 0 0.1960 0
0.2240 0 0.2520 0
0.2800 0
0.0000 0
0.0280 0 0.0560 0
0.0840 0
0.1120 0 0.1400 0 0.1680 0 0.1960 0
0.2240 0
0.2520 0 0.2800 0
0.0000 0 0.0280 0
0.0560 0 RATI O

0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0
0.0000 0
0.0000 0
0.0000 0
0.0000 0 0.0000 0
0.0000 0
0.0000 0
7.1428 6 3.5714 3 2.3809 5 1.7857 1 1.4285 7 1.1904 8
1.0204 1
0.8928 6 0.7936 5
0.7142 9
0.0000 0 14.2857 2 7.1428 6 0

3
6.14826E-0 2
7.91059E-0 2
4.40069E-0 2
3.16574E-0 2 2.57113E-0 2
2.20918E-0 2 1.95288E-0 2
1.76081E-0 2
1.61134E-0 2 1.48988E-0 2
1.38806E-0 2
6.19389E-0 2
1.036UE-0 1 8.86761E-0 2 5.26854E-0 2 3.76923E-0 2 2.96138E-0 2 2.45393E-0 2 2.U628E-0 2
1.87226E-0 2 1.68443E-0 2
1.54300E-0 2 5.98908E-0 2 1.17304E-0 1
1.28274E-0 1

G-- 6P.9 7

.

i 0.4000 0

0.4000 0 0.4000 0 0.4000 0 0.4000 0 0.4000 0 0.4000 0 0.4000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.6000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.8000 0 0.0840 0

0.1120 0 0.1400 0 0.1680 0 0.1960 0 0.2240 0 0.2520 0 0.2800 0 0.0000 0 0.0280 0 0.0560 0 0.0840 0 0.1120 0 0.1400 0 0.16800 - 0.1960 0 0.2240 0 0.2520 0 0.2800 0 0.0000 0 0.0280 0 0.0560 0 0.0840 0 0.1120 0 0.1400 0 0.1680 0 0.1960 0 0.2240 0 0.2520 0 C- y 4.7619 1

3.5714 3 2.8571 4 2.3809 5 2.0408 2 1.7857 1 1.5873 0 1.4285 7 0.0000 0 21.4285 7 10.7142 9 7.1428 6 5.3571 4 4.2857 2 3.5714 3 3.0612 2 2.6785 7 2.3809 5 2.1428 6 0.0000 0 28.5714 3 14.2857 2 9.5238 1 7.1428 6 5.7142 9 4.7619 1 4.0816 3 3.5714 3

_p.1746 0 9.42453E-0 2

6.14254E-0 2 4.47667E-0 2 3.47616E-0 2 2.82650E-0 2 2.39419E-0 2 2.08009E-0 2 1.84733E-0 2 5.82385E-0 2 1.24823E-0 1 1.46950E-0 1 1.44034E-0 1 1.00593E-0 1 6.99520E-0 2 5.23176E-0 2 4.06481E-0 2 3.28991E-0 2 2.76108E-0 2 2.35838E-0 2 5.69435E-0 2 1.28389E-0 1 1.58729E-0 1 1.68927E-0 1 1.52706E-0 1 1.07549E-0 1 7.86303E-0 2 6.00352E-0 2 4.71128E-0 2 3.84468E-0 2 - -P.9 8

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G-1 2P. 4

TECHNICA L REPOR TDAT A (Please read

Instructions on the reverse before completing) 1
. REPOR TNO
. 3
. RECIPIENT' S ACCESSIO N NO
.
4
. TITL E AN D SUBTITL E User' s Manua l fo r OZIPM- 4 (Ozon e Isoplet hPlottin g wit hOptiona l Mechanisms/versio n4) : Volum e 1 S
. REPOR TOAT E
6
. PERFORMIN G ORGANIZATIO N COO E

7 . AUTHOR(S ) 8
. PERFORMIN G ORGANIZATIO N REPOR TNO
. EPA-450/4-89-009 a 9
. PERFORMIN G ORGANIZATIO N NAM E AN D AOORES S U . S . Environmenta l Protectio nAgenc y Offic e o f Ai r Qualit y Plannin g an

dStandard s Researc hTriangl e Park , N . C . 2771 1 10
. PROGRA M ELEMEN TNO
.
11
. CONTRACT/GRAN TNO
.

12
. SPONSORIN G AGENC YNAM E AN O AOORES S 13
. TYP E O F REPOR TAN O PERIO D COVERE D Fina l 14
. SPONSORIN G AGENC YCOO E

15
. SUPPLEMENTAR YNOTE S EPA Contact : Keit hBaugue s
16 . ABSTRAC T Thi s documen t describe s eac ho f th e option s inth e 0ZIPM 4 program andho w t o develo pth e inpu t fil e neede dt o ru nth e program .

17
. KE YWORD S AN O DOCUMEN TANALYSI S DESCRIPTOR S b.lOENTIFIERS/OPE N ENDE D TERM S C
. COSAT I Field/Grou p Ozon e Photochemica l modelin g VO C contro l strategie s

18
. DISTRIBUTIO N STATEMEN T Unlimite d

EP A For m 2220- 1 (R«»
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