APPENDIX B -- CALPUFF SCREENING CONFIGURATION

The tables below identif y the recom m e nded CALP UFF screening configurations for C E N R A P BART m odeling. Also identified are the def a u lt recom m e ndations f r om the IW A Q M P h ase 2 R e port (EPA, 1998).

Table B-1. Input Groups in the CALPUFF Control File.

Input Group Description Applicable to CENRAP BART 0 Input and output file names Yes 1 General run control parameters Yes 2 Technical options Yes 3 Species list Yes 4 Grid control parameters Yes 5 Output options Yes 6 Sub grid scale complex terrain inputs Yes 7 Dry deposition parameters for gases Yes 8 Dry deposition parameters for particles Yes 9 Miscellaneous dry deposition for parameters Yes 10 Wet deposition parameters Yes 11 Chemistry parameters Yes 12 Diffusion and computational parameters Yes 13 Point source parameters Ye 14 Area source parameters Yes 15 Line source parameters Yes 16 Volume source parameters Yes 17 Discrete receptor information Yes

B-1Table B-2. CALPUFF Model Input Group 1: General Run Control Parameters.

Parameter Default CENRAP Comments METRUN 0 0 All model periods in met file(s) will be run IBYR - 2001 Starting year IBMO - 1 Starting month IBDY - 1 Starting day IBHR - 1 Starting hour XBTZ - 6 Base time zone (6 = CST) IRLG - 8760 Length of run NSPEC 5 10 Number of MESOPUFF II chemical species NSE 3 8 Number of chemical species to be emitted ITEST 2 2 Program is executed after SETUP phase MRESTART 0 0 Do not read or write a restart file during run NRESPD 0 0 File written only at last period METFM 1 1 CALMET binary file (CALMET.MET) AVET 60 60 Averaging time in minutes PGTIME 60 60 PG Averaging time in minutes

Table B-3. CALPUFF Model Input Group 2: Technical Options

Parameter Default CENRAP Comments MGAUSS 1 1 Gaussian distribution used in near field MCTADJ 3 3 Partial plume path terrain adjustment MCTSG 0 0 Sub-grid-scale complex terrain not modeled MSLUG 0 0 Near-field puffs not modeled as elongated MTRANS 1 1 Transitional plume rise modeled MTIP 1 1 Stack tip downwash used MSHEAR 0 0 (0, 1) Vertical wind shear (not modeled, modeled) MSPLIT 0 0 Puffs are not split MCHEM 1 1 MESOPUFF II chemical parameterization scheme MAQCHEM 0 0 Aqueous phase transformation not modeled MWET 1 1 Wet removal modeled MDRY 1 1 Dry deposition modeled MDISP 3 3 PG dispersion coefficients

B-2MTURBVW 3 3 Use both σ v and σ w from PROFILE.DAT to compute σ y and σ z (n/a) MDISP2 3 3 PG dispersion coefficients

MROUGH 0 0 PG σ y and σ z not adjusted for roughness MPARTL 1 1 No partial plume penetration of elevated inversion MTINV 0 0 Strength of temperature inversion computed from default gradients MPDF 0 0 PDF not used for dispersion under convective conditions MSGTIBL 0 0 Sub-grid TIBL module not used for shoreline MBCON 0 0 Boundary concentration conditions not modeled MFOG 0 0 Do not configure for FOG model output MREG 1 1 Technical options must conform to USEPA Long Range Transport (LRT) guidance

Table B-4. CALPUFF Model Input Group 3: Species List-Chemistry Options

.

CSPEC Modeled 1 Emitted 2 Dry Deposition 3 Output Group Number SO 2 1 1 1 0 SO 4 -2 1 0 2 0 NOx 1 1 1 0 HNO 3 1 0 1 0 NO 3 - 1 0 2 0 NH 3 1 1 1 0 PMC 1 1 2 0 PMF 1 1 2 0 EC 1 1 2 0 SOA 1 1 2 0 Notes: 1 0=no, 1=yes 2 0=no, 1=yes (depends on speciation breakdow n available) 3 0=none; 1=computed-gas; 2=computed-particle; 3=user-specified

B-3Table B-5. CALPUFF Model Input Group 4: Map Projection and Grid Control Parameters.

Parameter Default CENRAP Comments PMAP U T M U T M Map P r o j e c t i o n NX - 66 Number of X grid cells in meteorological grid NY - 66 Number of Y grid cells in meteorological grid NZ

- 10 Number of vertical layers in meteorological grid DGRIDKM - 6 Grid spacing (km) ZFACE - 0, 20 40, 80, 160, 320, 640,

1200, 2000, 3000, 4000 Cell face heights in meteorological grid (m)

XORIGKM - 5. Reference X coordinate for SW corner of grid cell (1,1) of meteorological grid (km) YORIGKM - 3327. Reference Y coordinate for SW corner of grid cell (1,1) of meteorological grid (km) IUTMZN - 12 UTM zone of coordinates (NAD83) IBCOMP

- 1 X index of lower left corner of the computational grid JBCOMP

- 1 Y index of lower left corner of the computational grids IECOMP

- 66 X index of the upper right corner of the computational grid JECOMP

- 66 Y index of the upper right corner of the computational grid LSAMP T F Sampling grid is not used IBSAMP

- 1 X index of lower left corner of the sampling grid JBSAMP

- 1 Y index of lower left corner of the sampling grid IESAMP

- 66 X index of upper right corner of the sampling grid JESAMP

- 66 Y index of upper right corner of the sampling grid MESHDN 1 1 Nesting factor of the sampling grid

B-4Table B-6. CALPUFF Model Input Group 5: Output Options.

Parameter Default CENRAP Comments ICON 1 1 Output file CONC.DAT containing concentrations is created IDRY 1 1 Output file DFLX.DAT containing dry fluxes is created IWET 1 1 Output file WFLX.DAT containing wet fluxes is created IVIS 1 1 Output file containing relative humidity data is created LCOMPRS T T Perform data compression in output file IMFLX 0 0 Do not calculate mass fluxes across specific boundaries IMBAL 0 0 Mass balances for each species not reported hourly ICPRT 0 1 Print concentration fields to the output list file IDPRT 0 0 Do not print dry flux fields to the output list file IWPRT 0 0 Do not print wet flux fields to the output list file ICFRQ 1 1 Concentration fields are printed to output list file every hr IDFRQ 1 1 Dry flux fields are printed to output list file every 1 hour IWFRQ 1 1 Wet flux fields are printed to output list file every 1 hour IPRTU 1 3 Units for line printer output are in g/m3 for concentration and g/m 2 /s for deposition IMESG 2 2 Messages tracking the progress of run written to

screen LDEBUG F F Logical value for debug output IPFDEB 1 1 First puff to track NPFDEB 1 1 Number of puffs to track NN1 1 1 Meteorological period to start output NN2 10 10 Meteorological period to end output

B-5Table B-7. CALPUFF Model Input Group 6: Sub-Grid Scale Complex Terrain Inputs.

Parameter Default CENRAP Comments NHILL 0 0 Number of terrain features NCTREC 0 0 Number of special complex terrain receptors MHILL - 2 Input terrain and receptor data for CTSG hills input in CTDM format XHILL2M 1 1 Conversion factor for changing horizontal dimensions to meters ZHILL2M 1 1 Conversion factor for changing vertical dimensions to meters XCTDMKM

- 0

. 0 E+00 X origin of CTDM system relative to CALPUFF coordinate system (km) YCTDMKM

- 0

. 0 E+00 Y origin of CTDM system relative to CALPUFF coordinate system (km)

Table B-8. CALPUFF Model Input Group 7: Dry Deposition Parameters for Gases.

Species Default CENRAP Comments 0

. 1 5 0 9 0

. 1 5 0 9 D i f f u s i v i t y

1000. 1000. Alpha star

8

. 0 8

. 0 R e a c t i v i t y 0.0 0.0 Mesophyll resistance SO 2

0.04 0.04 Henry’s Law coefficient 0

. 1 6 5 6 0

. 1 6 5 6 D i f f u s i v i t y 1.0 1.0 Alpha star 8

. 0 8

. 0 R e a c t i v i t y 5.0 5.0 Mesophyll resistance NO x

3.5 3.5 Henry’s Law coefficient 0

. 1 6 2 8 0

. 1 6 2 8 D i f f u s i v i t y 1.0 1.0 Alpha star 1 8

. 0 1 8

. 0 R e a c t i v i t y 0.0 0.0 Mesophyll resistance 8.0E-8 8.0E-8 Henry’s Law coefficient HNO 3

0.000359 0.000359 Henry’s Law coefficient

B-6Table B-9. CALPUFF Model Input Group 8: Dr y Deposition Parameters for Particles.

Species Default CENRAP Comments

SO 4 -2 0.48 0.48 Geometric mass mean diameter of SO4 -2 [μm] NO 3 - 2.0 0.48 Geometric mass mean diameter of NO3 - [μm] PMC 2.0 6.0 Geometric mass mean diameter of PMC [μm] PMF 2.0 0.48 Geometric mass mean diameter of PMF [μm]

EC 2.0 0.48 Geometric mass mean diameter of EC [μm] SOA 0.48 0.48 Geometric mass mean diameter of SOA [μm] (Geometric Standard Deviation for all species assumed to be 2.0 μm).

Table B-10. CALPUFF Model Input Group 9: Mi scellaneous Dry Deposition Parameters.

Parameter Default CENRAP Comments RCUTR 30 30 Reference cuticle resistance (s/cm) RGR 10 10 Reference ground resistance (s/cm) REACTR 8 8 Reference pollutant reactivity NINT 9 9 Number of particle size intervals for effective particle deposition velocity IVEG 1 1 Vegetation in non-irrigated areas is active and unstressed

Table B-11. CALPUFF Model Input Group 10: Wet Deposition Parameters.

Species Default CENRAP Comments 3.21E-05 3.21E-05 Scavenging coefficient for liquid precipitation [s -1 ] SO 2 0.0 0.0 Scavenging coefficient for frozen precipitation [s -1 ] 1.0E-04 1.0E-04 Scavenging coefficient for liquid precipitation [s -1 ] SO 4 -2 3.0E-05 3.0E-05 Scavenging coefficient for frozen precipitation [s -1 ] 6.0E-05 6.0E-05 Scavenging coefficient for liquid precipitation [s -1 ] HNO 3 0.0 0.0 Scavenging coefficient for frozen precipitation [s -1 ] 1.0E-04 1.0E-04 Scavenging coefficient for liquid precipitation [s -1 ] NO 3 - 3.0E-05 3.0E-05 Scavenging coefficient for frozen precipitation [s -1 ] 8.0E-05 8.0E-05 Scavenging coefficient for liquid precipitation [s -1 ] NH 3 0.0 0.0 Scavenging coefficient for frozen precipitation [s -1 ] 1.0E-04 1.0E-04 Scavenging coefficient for liquid precipitation [ s-1 ] PMC 3.0E-05 3.0E-05 Scavenging coefficient for frozen precipitation [s -1 ]

B-71.0E-04 1.0E-04 Scavenging coefficient for liquid precipitation [ s-1 ] PMF 3.0E-05 3.0E-05 Scavenging coefficient for frozen precipitation [s -1 ] 1.0E-04 1.0E-04 Scavenging coefficient for liquid precipitation [ s-1 ] EC 3.0E-05 3.0E-05 Scavenging coefficient for frozen precipitation [s -1 ] 1.0E-04 1.0E-04 Scavenging coefficient for liquid precipitation [ s-1 ] OC 3.0E-05 3.0E-05 Scavenging coefficient for frozen precipitation [s -1 ]

Table B-12. CALPUFF Model Input Group 11: Chemistry Parameters.

Parameter Default CENRAP Comments MOZ 1 1 Read ozone background concentrations from ozone.dat file (measured values). BCKO3 12*80 12*40 Background ozone concentration (ppb) BCKNH3 12*10 12*3 Background ammonia concentration (ppb) RNITE1 0.2 0.2 Nighttime NO 2 loss rate in percent/hour RNITE2 2 2 Nighttime NOX loss rate in percent/hour RNITE3 2 2 Nighttime HNO 3 loss rate in percent/hour MH202 1 1 Background H 2 O 2 concentrations (Aqueous phase transformations not modeled) BCKH202 1 1 Background monthly H 2 O 2 concentrations (Aqueous phase transformations not modeled) BCKPMF 1. 1. Fine particulate concentration for SOA Option (micrograms per cubic meter) OFRAC

. 2

. 2 Organic fraction of fine particulate for SOA Option VCNX 50. 50. VOC/NOx ratio for SOA Option

B-8Table B-13. CALPUFF Model Input Group 12: Dispersion/Computational Parameters.

Parameter Default CENRAP Comments

SYDEP 550 550 Horizontal size of a puff in meters beyond which the time dependant dispersion equation of Heffter (1965) is used MHFTSZ 0 0 Do not use Heffter formulas for sigma z JSUP 5 5 Stability class used to determine dispersion rates for puffs above boundary layer CONK1 0.01 0.01 Vertical dispersion constant for stable conditions CONK2 0.1 0.1 Vertical dispersion constant for neutral/stable conditions TBD 0.5 0.5 Use ISC transition point for determining the transition point between the Schulman-Scire to Huber-Snyder Building Downwash scheme IURB1 10 10 Lower range of land use categories for which urban dispersion is assumed IURB2 19 19 Upper range of land use categories for which urban dispersion is assumed ILANDUIN 20 * Land use category for modeling domain XLAIIN 3.0 * Leaf area index for modeling domain ZOIN -0.25 * Roughness length in meters for modeling domain ELEVIN 0.0 * Elevation above sea level XLATIN -999 - North latitude of station in degrees XLONIN -999 - South latitude of station in degrees ANEMHT 10 10 Anemometer height in meters ISIGMAV 1 1 Sigma-v is read for lateral turbulence data IMIXCTDM 0 0 Predicted mixing heights are used XMXLEN 1 1 Maximum length of emitted slug in meteorological grid units XSAMLEN 1 10 Maximum travel distance of slug or puff in meteorological grid units during one

B-9sampling unit

MXNEW 99 60 Maximum number of puffs or slugs released from one source during one time step MXSAM 99 60 Maximum number of sampling steps during one time step for a puff or slug NCOUNT 2 2 Number of iterations used when computing the transport wind for a sampling step that includes transitional plume rise SYMIN 1 1 Minimum sigma y in meters for a new puff or slug SZMIN 1 1 Minimum sigma z in meters for a new puff or slug SVMIN .50 .50 Minimum lateral turbulence velocities (m/s) SWMIN 0.20, 0.12, 0.08, 0.06, 0.03, 0.016 0.20, 0.12, 0.08, 0.06, 0.03, 0.016 Minimum vertical turbulence velocities (m/s)

WSCALM 0.5 0.5 Minimum non-calm wind speeds (m/s) XMAXZI 3000. 3000. Maximum mixing height (m) XMINZI 50. 20. Minimum mixing height (m) SL2PF 10. 10. Maximum Sy/puff length PLXO 0.07, 0.07, 0.10, 0.15, 0.35, 0.55 0.07, 0.07, 0.10, 0.15, 0.35, 0.55 Wind speed power-law exponents

WSCAT 1.54, 3.09, 5.14, 8.23, 10.80 1.54, 3.09, 5.14, 8.23, 10.80 Upper bounds of 1 st 5 wind speed classes

PGGO 0.020, 0.035 0.020, 0.035 Potential temp gradients PG E & F (deg/km) CDIV 0.01 0.01 Divergence criterion for dw/dz (1/s) PPC 0.5, 0.5, 0.5, 0.5, 0.35, 0.35 0.5, 0.5, 0.5, 0.5, 0.35, 0.35 Plume path coefficients (only if MCTADJ=3)

NSPLIT 3 3 Number of puffs when puffs split IRESPLIT - 1900 Hour(s) when puff is eligible to split

B-10ZISPLIT 100 100 Previous hour’s minimum mixing height, m ROLDMAX 0.25 0.25 Previous Max mixing height/current mixing height ratio, must be less than this value to allow puff to split NSPLITH 5 5 Number of puffs resulting from a split SYSPLITH 1.0 1.0 Minimum sigma-y of puff before it may split SHSPLITH 2.0 2.0 Minimum puff elongation rate from wind shear before puff may split CNSPLITH 1.0E-07 1.0E-07 Minimum species concentration before a puff may split EPSSLUG 1.0E-04 1.0E-04 Criterion for SLUG sampling EPSAREA 1.0E-06 1.0E-06 Criterion for area source integration DSRISE 1.0 1.0 Trajectory step length for numerical rise algorithm Note: Values indicated by an asterisk (* ) were allowed to vary spatially across the domain and were obtained from CALMET

Table B-14. CALPUFF Model Input Group 13: Point Source Parameters.

Parameter Default CENRAP Comments NPT1

- V a r i e s b y scenario Number of point sources with constant stack parameters or variable emission rate scale factors IPTU 1 1 Units for point source emission rates are g/s NSPT1 0 - Number of source-species combinations with variable emissions scaling factors NPT2 - - Number of point sources with variable emission parameters provided in external file MISC - - Other point source inputs include stack height (H), stack diameter (d), exit temperature (T), exit velocity (v), downwash flag, and emissions by species.

B-11Table B-15. CALPUFF Model Input Group 14: Area Source Parameters.

Parameter Default CENRAP Comments NAR1 Varies by scenario Number of polygon area sources

IARU 1 1 Units for area source emission rates are g/m 2 /s NSAR1 0 - Number of source species combinations with variable emissions scaling factors NAR2 - - Number of buoyant polygon area sources with variable location and emission parameters

Table B-16. CALPUFF Model Input Group 15: Line Source Parameters.

Parameter Default CENRAP Comments

NLN2 - - Number of buoyant line sources with variable location and emission parameters NLINES - - Number of buoyant line sources ILNU 1 - Units for line source emission rates is g/s NSLN1 0 - Number of source-species combinations with variable emissions scaling factors MXNSEG 7

- Maximum number of segments used to model each line NLRISE 6

- Number of distance at which transitional rise is computed XL - - Average line source length (m) HBL - - Average height of line source height (m) WBL - - Average building width (m) WML - - Average line source width (m) DXL - - Average separation between buildings (m) FPRIMEL - - Average buoyancy parameter (m4/s3)

B-12Table B-17. CALPUFF Model Input Group 16: Volume Source Parameters.

Parameter Default CENRAP Comments NVL1 - - Number of volume sources IVLU 1

- Units for volume source emission rates is grams per second NSVL1 0 - Number of source-species combinations with variable emissions scaling factors IGRDVL - - Gridded volume source data is not used VEFFHT - - Effective height of emissions (m) VSIGYI - - Initial sigma y value (m) VSIGZI - - Initial sigma z value (m)

Table B-18. CALPUFF Model Input Group 17: Discrete Receptor Information.

Parameter Default CENRAP Comments NREC - 5630 Number of non-gridded receptors

B-13