-------
B. BOUNDARY
The BOUNDARY file contains a time-invariant definition of the bound-
aries of the region to be modeled and time-varying matrices of pollutant
concentrations in each external boundary cell. These boundary values are
used by the Airshed Simulation Program to represent pollutant concentra-
tions passing over the boundary into the modeling region. The program
BNDARY is used to create the BOUNDARY file. BNDARY requires subroutines
from the libraries UTILITY and FILUTIL. Figure VI1-3 is an information
flow diagram illustrating the job control to be used. In the following
sections we discuss the input to the BNDARY program.
1. Variables
The output variables for the BOUNDARY file are the species named
in the CONTROL packet. Additional user-defined input variables (e.g.,
"reactive hydrocarbons") can be specified in the UNITS packet. The inter-
nal units for the concentrations of all species except AEROSOLS are parts
per million (ppm); for AEROSOLS, the units are micrograms per cubic meter
(ug/m ). The standard names for reactive species recognized by the Airshed
Simulation Program are listed in Section IX.A. If any of these species
does not appear on the BOUNDARY file, the boundary concentrations will
default to a value defined in the CHEMPARAM file. If any additional
species appear on BOUNDARY, they will be ignored.
2. Methods
The methods that can be used to generate the BOUNDARY file are:
> CONSTANT
> BOUNDVALUE
> SPLIT/C01«
> USER.
The methods CONSTANT and BOUNDVALUE are equivalent. All these methods are
discussed in detail in Section VI.A.6.
\/ T T **n
-------
L (ID
DIFFBREAKT
/ (12)
REGIONTOPT
TOPCONC
L.PJL
i
ther Packet^
REGION
CONTROL
(5)
BNDARY/
UTILITY
FILUTIL
(6)
(22)
Boundary
Conditions
BOUNDARY
Figure VII-3. Information Flow Diagram for the BOUNDARY File
VII-31
-------
Since the BOUNDARY file varies in the vertical direction, a vertical
method must also be specified for each output variable in each subregion.
The vertical methods that can be used are:
> CONSTANT
> ABSPROFILE
> RELPROFILE
> ABSPROFRAT
> RELPROFRAT
> VERTUSER.
These vertical methods are discussed in detail in Section VI.A.7.
3. Time Variation
The time span of the BOUNDARY file must include the entire time
span of the simulation runs for which it is to be used. Boundary con-
centrations are considered to be constant during each time interval.
4. Packets
Figure VI1-4 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section VLB.
Following are special input packet considerations for the BOUNDARY file:
> CONTROL
- The file name on Card 2 must be BOUNDARY.
- The control variables to be specified on Cards 4 to 8
for BOUNDARY are shown in Table VII-2.
- The number of species must be greater than zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number
of user-defined variables. All such variables must also
be named in the UNITS packet.
VI1-32
-------
can be repeated
VERTICAL PROFILES
BOUNDARY READINGS
must appear in the
first time interval
Figure VII-4. Input Card Deck Structure for Preparing the BOUNDARY File
VII-33
-------
Table VII-2. CONTROL Packet Entries for the BOUNDARY File
Card
Number Entry
4 Number of species
Number of user-defined variables
Number of boundary line segments
Spare
Number of parameters
Spare
5 Output file number
Print input cards
Print output boundary values
Spare
Spare
Spare
6 Print units table
Print boundary line segment locations table
Print regional grid
Print methods table
Print boundary values table
Spare
7 Number of vertical parameters
Number of heights in profile
Print vertical methods table
Print vertical profile tables
Spare
Spare
8 DIFFBREAK file number
RE6IONTOP file number
TOPCONC file number
Spare
Spare
Spare
VH-34 .
-------
- The number of boundary line segments must be at least
three.
- The maximum number of parameters must be sufficient to
include all specifications of all parameters.
- The vertical controls card (No. 7) must include
maximum vertical parameter and profile entries as
applicable.
- The file unit assignment card (No. 8) must provide entries
for the DIFFBREAK, REGIONTOP, and TOPCONC files if, and
only if, these files are required by the vertical methods
selected.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is required; their number
must be the same as the entry in the first control param-
eter on Card 4. If either the ABSPROFRAT or RELPROFRAT
vertical method is selected for any variable, the output
species names specified here must match the species names
on the TOPCONC file.
REGION. This packet must follow the CONTROL packet. The
vertical parameters must be provided for the BOUNDARY file.
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
BOUNDARIES. This packet is required; it names the line
segments that define the boundaries of the region. The
number of line segments specified must equal the number
specified in the CONTROL packet.
VII-35
-------
TIKE INTERVAL. One or more TIME INTERVAL packets roust be
present. The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet. All time intervals must be contiguous and
of nonzero length. Each TIME INTERVAL packet contains one
or more of the following packets and ends with an ENDTIME
card. Following the first time interval, only those data
that are to be changed need be specified.
METHOD. A method must be provided for every variable-
including user-defined variables—for every boundary line
segment in the first time interval. In the METHOD packet,
the boundary line segment name is entered in the "subregion"
field. Methods can be changed in subsequent TIME INTERVAL
packets if desired. Note that each parameter entry contri-
butes to the overall parameter count; the total number of
parameters must not exceed the maximum specified in the
CONTROL packet.
VERTICAL METHOD. A vertical method must be provided for
every variable—including user-defined variables—for every
boundary line segment in the first time interval. In the
VERTICAL METHOD packet, the boundary line segment name is
entered in the "subregion" field. Vertical methods can be
changed in subsequent TIME INTERVAL packets if desired.
Note that each vertical parameter entry contributes to the
overall vertical parameter count; the total must not exceed
the maximum specified in the CONTROL packet.
CONSTANTS. If the method CONSTANT is assigned to any var-
iable in the METHOD packet, the first time interval must:
contain a CONSTANTS packet. More than one CONSTANTS packet
can appear in any time interval.
BOUNDARY READINGS. If the method BOUNDVALUE is assigned to
any variable in the METHOD packet, the first time interval
must contain a BOUNDARY READINGS packet. More than one
BOUNDARY READINGS packet can appear in any time interval.
VII-36
-------
> VERTICAL PROFILES. If any of the profile methods are assigned
to any species in the VERTICAL METHOD packet, the first time
interval must contain a VERTICAL PROFILES packet. There must
be a vertical profile defined (or implied using ALL) for
every variable for every boundary line segment for which a
profile method was specified. In the VERTICAL PROFILES
packet, the boundary line segment name is entered in the
, "subregion" field. The number of height-value pairs in any
single profile must not exceed the maximum specified in
the CONTROL packet. More than one VERTICAL PROFILES packet
can appear in any time interval.
5. Additional Input Files
If any vertical method besides CONSTANT was selected, the DIFFBREAK
and REGIONTOP files must be input to BNDARY. In addition, if the vertical
method ABSPROFRAT or RELPROFRAT was selected, the TOPCONC file must also
be input.
6. Examples
Exhibit VII-3 shows a sample input deck for BOUNDARY file generation.
The output from a BNDARY run using that input deck is shown in Exhibit
VII-4.
VII-37
-------
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VII-55
-------
C. DIFFBREAK
The DIFFBREAK file contains time-varying two-dimensional matrices
of diffusion break heights. The diffusion break is used to define the
distribution of cells in the vertical direction and to delimit layers of
the atmosphere with different diffusion characteristics. The diffusion
break is usually set to the mixing height or the height of the inver-
sion base. The program DFSNBK is used to create the DIFFBREAK file.
DFSNBK requires subroutines from the libraries UTILITY and FILUTIL.
Figure VI1-5 is an information flow diagram illustrating the job control
to be used. In the following sections we discuss the input to the DFSNBK
program.
1. Variables
The output variable for the DIFFBREAK file is also named DIFFBREAK.
This is an "implicit output variable" and need not be referred to anywhere
in the CONTROL packet. The internal units for DIFFBREAK are meters (m). If
the input values for this variable are to be in any other units,
DIFFBREAK must be specified in the UNITS packet.
2. Methods
The methods that can be used to generate the DIFFBREAK file are:
> CONSTANT
> GRID VALUE
> STATINTERP
> POISSON
> E-WINTERP
> N-SINTERP
> USER.
These methods are discussed in detail in Section VI.A.6,
VII-56
-------
Packets
EG I ON
CONTROL
(5)
DFSNBK/
UTILITY
FILUTIL
(6)7 \(23)
Diffusion
Break
<
DIFFBREAK
V
Figure VII-5. Information Flow Diagram for the DIFFBREAK File
VII-57
-------
3. Time Variation
The diffusion break values on the DIFFBREAK file are considered
to apply at the beginning of the time interval. Because the Airshed
Simulation Program calculates diffusion break values continuously over
time by linear interpolation, it also requires values at the end of
the time interval. These are read by the program as the values at the
beginning of the next time interval. Thus, the last time interval on
the file must begin at or after the ending simulation time. For example,
if a simulation is to be made from 0500-1700, and diffusion break values
are input hourly, the values used between 500 and 600 are calculated by
interpolating between values input for the 0500-0600 time interval and
those input for the 0600-0700 time interval. Similarly, to calculate
values between 1600 and 1700, the simulation program requires values for
the interval 1600-1700 as well as another set for an interval beginning
at 1700.
4. Packets
Figure VII-6 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section
VLB. Following are special input packet considerations for the DIFFBREAK
file:
> CONTROL
- The file name on Card 2 must be DIFFBREAK.
- The control variables to be specified on Cards 4 to 8 for
DIFFBREAK are shown in Table VI1-3.
- The number of species should be zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number of
user-defined variables. All such variables must also be
named in the UNITS packet.
VII-58
-------
can be repeated
must appear in the
first time interval
Figure VII-6. Input Card Deck Structure for
Preparing the DIFFBREAK FILE
VII-59
-------
Table VII-3. CONTROL Packet Entries for the DIFFBREAK File
Number Entry
4 Number of species (=0)
Number of user-defined variables
Number of stations
Number of subregions
Number of parameters
Spare
5 Output file number
Print input cards
Print output grid
Spare
Spare
Spare
6 Print units table
Print station locations table
Print regional grid
Print methods table
Print station values table
Spare
7 Spare
Spare
Spare
Spare
Spare
Spare
8 Spare
Spare
Spare
Spare
Spare
Spare
VII-60
-------
- If data from measuring stations are to be used (methods
STATINTERP or POISSON), the maximum number of such
stations must be given.
- The number of subregions must be at least one.
- The maximum number of parameters must be sufficient to
include all specifications of all parameters.
- The vertical controls card (No. 7) should be left blank.
- The file unit assignment card (No. 8) should be left blank.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is not required; if they
are present, their number must be the same as the entry
in the first control parameter on Card 4, but they will
be ignored by the program.
> REGION. This packet must follow the CONTROL packet. The
vertical parameters will be ignored for the DIFFBREAK file.
> UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
> STATIONS. This packet is required if either of the methods
STATINTERP or POISSON is specified. The number of stations
listed must not exceed the maximum specified in the CONTROL
packet.
> TIME INTERVAL. Two or more TIME INTERVAL packets must be
present. The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet. The last time interval must begin at or
VII-61
-------
after the ending time of any simulation run. All time inter-
vals must be contiguous and of nonzero length. Each TIME
INTERVAL packet contains one or more of the following
packets and ends with an ENDTIHE card. Following the first
time interval, only those data that are to be changed need
be specified.
> SUBREGION. The first time interval must contain a SUBREGION
packet; the inclusion of this packet in other time intervals
is optional. The number of subregions must not exceed the
maximum specified in the CONTROL packet.
> METHOD. A method must be provided for every variable--
including user-defined variables—in every subregion in the
first time interval. Methods can be changed in subsequent
TIME INTERVAL packets if desired. Note that each parameter
entry contributes to the overall parameter count; th€; total
number of parameters must not exceed the maximum specified
in the CONTROL packet.
> CONSTANTS. If the method CONSTANT is assigned to any var-
iable in the METHOD packet, the first time interval must
contain a CONSTANTS packet. More than one CONSTANTS packet
can appear in any time interval.
> GRID VALUES. If the method GRID VALUE is assigned to any
variable in the METHOD packet, the first time interval must
contain a GRID VALUES packet. More than one GRID VALUES
packet can appear in any time interval.
> STATION READINGS. If either the.POISSON or STATINTERP method
is assigned to any variable in the METHOD packet, the first
time interval must contain a STATION READINGS packet. More
than one STATION READINGS packet can appear in any time
interval.
5. Additional Input Files
No additional input files are required.
VII-62
-------
6. Examples
Exhibit VII-5 shows a sample input deck for DIFFBREAK file generation.
The output from a DFSNBK run using that input deck is shown in Exhibit
VII-6.
VII-63
-------
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D. EMISSIONS
The EMISSIONS file contains time-varying matrices of ground-level
emission fluxes. At present, there is no general-purpose program for
creating the EMISSIONS file because its generation is so highly dependent
on the form of the emissions data available: traffic, stationary sources,
area sources, airports, and so on. There is a program structure, similar
to that of the other data preparation programs, that includes the reading
of control packets, unit conversions, and writing the proper output
records. This program can be tailored to particular input requirements
as necessary. The skeleton program is named EMISSN. EMISSN requires
subroutines from the libraries UTILITY and FILUTIL, Figure .VII-7 is an
information flow diagram illustrating the job control to' be used. In
the following sections we discuss the card input to the EMISSN program.
1. Variables
The output variables for the EMISSIONS file are the species named
in the CONTROL packet. Additional user-defined input variables (e.g.
"reactive hydrocarbons") can be specified in the UNITS packet. The
internal units for ground-level emissions of all species except AEROSOLS
are gram-moles per hour (g-mol/hr); for AEROSOLS, the units are grams per
hour (g/hr). The standard names for reactive species recognized by the
Airshed Simulation Program are listed in Section IX.A. If any of these
species does not appear on the EMISSIONS file, the emissions values default
to zero. If any additional species appear on EMISSIONS, they will be ignored.
2. Methods
The methods that can be used to generate the EMISSIONS file are:
> CONSTANT
> GRID VALUE
> SPLIT/COMB
> USER.
VII-69
-------
Point
Sources
Line
Sources
/ Area
I Sources
1
/ Gridded
( EnrissionsI
Packet*
p
REGION
CONTROL
I
i
T
(5)
EMISSN/
UTILITY
FILUTIL
(6)
Ground-
Level
Emissions
I EMISSIONS
Figure VII-7. Information Flow Diagram for the EMISSIONS File
VII-70
-------
The actual methods for generating output values from specific input data
files must be written for each new application.
3. Time Variation
The time span of the EMISSIONS file must include the entire time
span of the simulation runs for which it is to be used. Ground-level
emissions are considered to be constant during each time interval.
4. Packets
The packets to be used for EMISSN will depend on the particular
version that is developed for a given set of input data files. Informa-
tion on control parameters, units, time intervals, computation methods,
and data entry will have to be provided when the program has been imple-
mented. Figure VII-8 shows a possible input structure in terms of the
packets to be used.
5. Additional Input Files
Point source, line source, area source, or gridded area emissions
might be input to EMISSN.
VII-71
-------
can be repeated
Figure VII-8. A Possible Input Card Deck Structure for Preparing
the EMISSIONS File
YII-72
-------
E. METSCALARS
The METSCALARS file contains a set of time-varying scalars to be
used in meteorological calculations. It has no spatial dependence. The
program METSCL is used to create the METSCALARS file. METSCL requires
subroutines from the libraries UTILITY and FILUTIL. Figure VII-9 is an
information flow diagram illustrating the job control to be used. In
the following sections we discuss the input to the METSCL program.
1. Variables
There are six output variables for the METSCALARS file. Their names
and internal units are:
> TGRADBELOW—temperature gradient below the diffusion break
> T6RADABOVE--temperature gradient above the diffusion break
> EXPCLASS—exposure class, an integer scale (+3 to -2) of the
near ground-level atmospheric stability due to surface heating
or
ar ground-level atmospheric stability due to surface heatii
cooling. It can be estimated from insolation as follows:
exposure
C I a55
daytime insolation ,
strong
moderate
slight
heavy overcast day or night ,
-1
>£ cloud cover
-2 , <-g cloud cover
nighttime cloudiness .
~
> RADFACTOR— the NCL photolysis rate constant, k, (min~ )
> CONCWATER— average concentration of water (ppm).
> ATMOSPRESS— atmospheric pressure (atm).
VII-73
-------
METSCL/
UTILITY
FILUTIL
(6)7 \(24)
Meteoro-
logical
scalars
,
METSCALARSl
Figure VII-9. Information Flow Diagram for the METSCALARS File
VII-74
-------
2. Methods
Since the METSCALARS variables do not vary spatially, there is no
need to define a method for determining spatial distribution. It is
assumed that the variables will be explicitly entered in SCALARS packets
and that only simple unit conversions, which are defined in the UNITS
packet, need be performed.
3. Time Variation
Five of the METSCALARS variables, TGRADBELOW, TGRADABOVE, EXPCLASS,
CONCWATER, and ATMOSPRESS, are considered to be constant during each
time interval. The sixth variable, RADFACTOR, however, is considered
to apply at the end of the time interval. Because the Airshed Simulation
Program calculates radiation factor values continuously over time by
linear interpolation, it also requires values at the beginning of the
time interval. These are saved by the program as the values read for
the end of the previous time interval. Thus the first time interval
on the file must end at or before the beginning simulation time. For
example, if a simulation is to be made from 0500-1700, and radiation
factor values are input hourly, the values used between 500 and 600
are calculated by interpolating between values input for the 0400-0500
time interval and those input for the 0500-0600 time interval.
4. Packets
Figure VII-10 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Sections
VLB. Following are special input packet considerations for the file:
> CONTROL
- The file name on Card 2 must be METSCALARS.
- The control variables to be specified on Cards 4 to 8
for METSCALARS are shown in Table VII-4.
VII-75
-------
can be repeated
must appear in the
first time interval
Figure VII-10. Input Card Deck Structure for
Preparing the METSCALARS File
VII-76
-------
Table VII-4. CONTROL Packet Entries for the METSCALARS File
Card
Number Entry
4 Number of species (=0)
Spare
Spare
Spare
Spare
Spare
5 Output file number
Print input cards
Print output values
Spare
Spare
Spare
6 Print units table
Spare
Spare
Spare
Spare
Spare
7 Spare
Spare
Spare
Spare
Spare
Spare
8 Spare
Spare
Spare
Spare
Spare
Spare
VII-77
-------
- The number of species should be zero.
- The vertical controls card (No. 7) should be left blank.
- The file unit assignment card (No. 8) should be left blank.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is not required; if they
are present, their number must be the same as the entry
in the first control parameter on Card 4, but they will
be ignored by the program.
> REGION. This packet must follow the CONTROL packet. The
vertical parameters will be ignored for the METSCALARS file.
> UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if any input
variable will be input in other than internal units. The
units of RADFACTOR must be min~ and cannot be changed.
> TIME INTERVAL. Two or more TIME INTERVAL packets must
be present. The first time interval must end at or before
the beginning time of any simulation run. All time inter-
vals must be contiguous and of nonzero length. Each TIME
INTERVAL packet contains a SCALARS packet and ends with an
ENDTIME card. Following the first time interval, only those
data that are to be changed need be specified.
> SCALARS. The first time interval must contain a SCALARS
packet. Following the first time interval, the SCALARS
packet can be omitted if no values are to be changed.
5. Additional Input Files
No additional input files are required.
6. Examples
Exhibit VII-7 shows a sample input deck for METSCALARS file genera-
tion. The output from a METSCL run using that input deck is shown in
Exhibit VII-8.
VII-78
-------
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VII-81
-------
F. PTSOURCE
The PTSOURCE file contains a set of time-invariant locations of
elevated point sources and time-varying emissions fluxes from each source
into specific vertical cells. The file can be omitted from a simulation
run. The program PTSRCE is used to create the PTSOURCE file. PTSRCE
requires subroutines from the libraries UTILITY and FILUTIL. Figure VII-11
is an information flow diagram illustrating the job control to be used.
In the following sections we discuss the input to the PTSRCE program.
1. Variables
The output variables for the PTSOURCE file are the species named in
the CONTROL packet. Additional user-defined input variables (e.g.,
"reactive hydrocarbons") can be specified in the UNITS packet. The
internal units for the emissions of all species except AEROSOLS are
gram-moles per hour (g-mol/hr); for AEROSOLS, the units are grams per hour
(g/hr). The standard names for reactive species recognized by the Airshed
Simulation Program are listed in Section IX.A. If any of these species
does not appear on the PTSOURCE file, the emissions will default to zero.
If any additional species appear on PTSOURCE, they will be ignored.
There are five other implicit variables used in the PTSRCE program:
> HEIGHT—stack height
> DIAMETER—stack exit diameter
> STACKTEMP—stack exit temperature
> STACKVEL-stack exit velocity
> FLOWRATE—flow rate.
The internal units for these variables are shown in Table VI-5; input unit
conversions for any of these variables can be specified in the UNITS
packet without adding to the count of "user-defined variables." Values
VII-82
-------
iDIFFBREAK \
REGIONTOP
(12)
(04)
iTEMPERATUR \
V
(METSCALARS P—
IWIND
06) ,
Packet^
EGION
CONTROL
(5)
PTSRCE/
UTILITY
FILUTIL
(6)
(25)
Point
Source
Emissions
PTSOURCE
Figure VII-11. Information Flow Diagram for the
PTSOURCE File
VII-83
-------
for the first four variables are entered in the POINT SOURCES packet and
are considered time-invariant. FLOWRATE values, if specified, appear in
the EMISSIONS VALUES packet and are modified, along with species emissions,
by the emissions factors.
2. Methods
The methods that can be used to generate the PTSOURCE file are:
> EMVALUES
> EMFACTORS
> SPLIT/COMB
> USER.
These methods are discussed in detail in Section VI.A.6.
Since the PTSOURCE file varies in the vertical direction, a vertical
method must also be specified for each output variable in each subregion.
The vertical methods that can be used are:
> STACKHGT
> PLUMERISE
> VERTUSER.
These vertical methods are discussed in detail in Section VI.A.7.
3. Time Variation
The time span of the PTSOURCE file must include the entire time
span of the simulation runs for which it is to be used. Point source
emissions are considered to be constant during each time interval.
VII-84
-------
4. Packets
Figure VII-12 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section
VLB. Following are special input packet considerations for the PTSOURCE
file:
> CONTROL
- The file name on Card 2 must be PTSOURCE.
- The control variables to be specified on Cards 4 to 8
for PTSOURCE are shown in Table VII-5.
- The number ofspecies must be greater than zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number of
user-defined variables. All such variables must also be
named in the UNITS packet.
- The number of point sources defined in the POINT SOURCES
packet must be specified.
- The number of point source types must be at least one.
- The-maximum number of parameters must be sufficient to
include all specifications of all parameters.
- The vertical controls card (No. 7) must specify the
maximum number of vertical parameters as applicable.
- The file unit assignment card (No. 8) must specify the
DIFFBREAK and REGIONTOP files. In addition, it must
specify TEMPERATUR, METSCALARS, and WIND if the verti-
cal method PLUMERISE is selected.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is required; their number
must be the same as the entry in the first control param-
eter on Card 4.
> REGION. This packet must follow the CONTROL packet. The
vertical parameters must be provided for the PTSOURCE file.
VII-85.
-------
can be repeated
HUSSIONS FACTORS
must appear in the
first time interval
Figure VII-12. Input Card Deck Structure for Preparing the
PTSOURCE File
VII-86
-------
Table VII-5. CONTROL Packet Entries for the PTSOURCE File
Card
Number
Entry
8
Number of species
Number of user-defined variables
Number of point sources
Number of point source types
Number of parameters
Spare
Output file number
Print input cards
Print output grid
Spare
Spare
Spare
Print units table
Print point source locations table
Print regional point source distribution grid
Print methods table
Print point source values table
Spare
Number of vertical parameters
Spare
Print vertical methods table
•
Spare
Spare
Spare
DIFFBREAK file number
REGIONTOP file number
Spare
TEMPERATUR file number
METSCALARS file number
WIND file number
VII-87
-------
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
POINT SOURCES. This packet is required. It names the
point sources, assigns to each a type and location, and
describes certain time-invariant stack properties. The
number of point sources specified must equal the number
specified in the CONTROL packet. Each point source must be
given a type name. Point sources are grouped by type at the
time that methods and vertical methods are assigned, and
emission factors can be applied by point source type,, The
number of different types specified must not exceed the
maximum defined in the CONTROL packet.
TIME INTERVAL. One or more TIME INTERVAL packets must be -
present. The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet. All time intervals must be contiguous and
of nonzero length. Each TIME INTERVAL packet contains one
or more of the following packets and ends with an ENDTIME
card. Following the first time interval, only those data
that are to be changed need be specified.
METHOD. A method must be provided for every variable-
including user-defined variables--for every point source
type in the first time interval. Methods can be changed in
subsequent TIME INTERVAL packets if desired. Note that each
parameter entry contributes to the overall parameter count;
the total number of parameters must not exceed the maximum
specified in the CONTROL packet.
V JI-88
-------
> VERTICAL METHOD. A vertical method must be provided for every
variable—including user-defined variables—for every point
source type in the first time interval. Vertical methods
can be changed in subsequent TIME INTERVAL packets if
desired. Note that each vertical parameter entry contributes
to the overall vertical parameter count; the total must not
exceed the maximum specified in the CONTROL packet.
> EMISSIONS VALUES. The first time interval must contain an
EMISSIONS VALUES packet. More than one EMISSIONS VALUES
packet can appear in any time interval.
> EMISSIONS FACTORS. If the method EMFACTORS is selected in
a subsequent time interval, the EMISSIONS FACTORS packet
must appear. This packet can be used to multiply all emis-
sions from a given point source or type by a time-varying
factor. More than one EMISSIONS FACTORS packet can appear
in any time interval.
5. Additional Input Files
The DIFFBREAK and REGIONTOP files must be input to PTSRCE. In
addition, if the vertical method PLUMERISE was selected, the TEMPERATUR,
METSCALARS, and WIND files must also be input.
6. Examples
Exhibit VI1-9 shows a sample input deck for PTSOURCE file generation.
The output from a PTSRCE run using that input deck is shown in Exhibit
VII-10.
VII-89
-------
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VII-96
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VII-99
-------
G. REGIONTOP
The REGIONTOP file contains time-varying two-dimensional matrices
of region top heights. The region top height can be linked to the dif-
fusion break or can be independently specified. The program REGNTP is
used to create the REGIONTOP file. REGNTP requires subroutines from
the libraries UTILITY and FILUTIL. Figure VII-13 is an information
flow diagram illustrating the job control to be used. In the following
sections we discuss the input to the REGNTP program.
1. Vari ables
The output variable for the REGIONTOP file is also named REGIONTOP.
This is an "implicit output variable" and need not be referred to any-
where in the CONTROL packet. The internal units for REGIONTOP are meters (m)
If the input values for this variable are to be in any other units,
REGIONTOP must be specified in the UNITS packet.
2. Methods
The methods that can be used to generate the REGIONTOP file are:
> CONSTANT
> 6RID VALUE
> STATINTERP
> POISSON
> FIXDHEIGHT
> SAMEHEIGHT
> E-WINTERP
> N-SINTERP
> USER.
These methods are discussed in detail in Section VI.A.6.
VII-180
-------
'Other
REGION
i_ 01)
DIFFBREAK :
I
/CONTROL
I
I
T
(5)
REGNTP/
UTILITY
FILUTIL
(6),
Top of
Region
(REGIONTOP
Figure VII-13. Information Flow Diagram for the REGIONTOP File
VII-101
-------
3. Time Variation
The top of the region values on the REGIONTOP file are considered
to apply at the beginning of the time interval. Because the Airshed
Simulation Program calculates region top values continuously over time
by linear interpolation, it also requires values at the end of the time
interval. These are read by the program as the values at the beginning
of the next time interval. Thus, the last time interval on the file
must begin at or after the ending simulation time. For example, if a
simulation is to be made from 0500-1700 and region top values are input
hourly, the values used between 500 and 600 are calculated by interpolat-
ing between values input for the 0500-0600 time interval and those input
for the 0600-0700 time interval. Similarly, to calculate values between
1600 and 1700, the simulation program requires values for the interval
1600-1700, and another set for an interval beginning at 1700.
4. Packets
Figure VI1-14 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Sections VLB.
Following are special input packet considerations for the REGIONTOP file:
> CONTROL
- The file name on Card 2 must be REGIONTOP.
- The control variables to be specified on Cards 4 to 8
for REGIONTOP are shown in Table VI1-6.
/
- The number of species should be zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number of
user-defined variables. All such variables must also be
named in the UNITS packet.
- If data from measuring stations are to be used (methods
STATINTERP or POISSON), the maximum number of such
stations must be given.
- The number of subregions must be at least one.
VII-102
-------
r
END TIME
STATION READINGS
'GRID VALUES
can be repeated
(CONSTANTS
METHOD
fsUBREGION
TIME INTERVAL
STATIONS
I
UNITS
REGION
CONTROL
must appear in the
first time interval
Figure VI1-14. Input Card Deck Structure for Preparing
the REGIONTOP File
VII-103
-------
Table VII-6. CONTROL Packet Entries for the REGIONTOP File
Card
Number Entry
4 Number of species (=0)
Number of user-defined variables
Number of stations
Number of subregions
Number of parameters
Spare
5 Output file number
Print input cards
Print output grid
Spare
Spare
Spare
6 Print units table
Print station locations table
Print regional grid
Print methods table
Print station values table
Spare
7 Spare
Spare
Spare
Spare
Spare
Spare
8 DIFFBREAK file unit number
Spare
Spare
Spare
Spare
Spare
VII-104
-------
- The maximum number of parameters must be sufficient to
include all specifications of all parameters.
- The vertical controls card (No. 7) should be l.eft blank.
- The file unit assignment card (No. 8) must specify
OUTBREAK if the method FIXDHEIGHT or SAMEHEIGHT is
selected. Otherwise, it should be left blank.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is not required; if they
are present, their number must be the same as the entry
in the first control parameter on Card 4, but they will
be ignored by the program.
REGION. This packet must follow the CONTROL packet. The
vertical parameters must be provided if FIXDHEIGHT or
SAMEHEIGHT is selected. Otherwise, they will be ignored.
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS. This packet is required if either of the methods
STATINTERP or POISSON is specified. The number of stations
listed must not exceed the maximum specified in the CONTROL
packet.
TIME INTERVAL. Two or more TIME INTERVAL packets must be
present. The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet. The last time interval must begin at or
after the ending time of any simulation run. All time inter-
vals must be contiguous and of nonzero length. Each TIME
INTERVAL packet contains one or more of the following
VII-105
-------
packets and ends with an ENDTIME card. Following the first
time interval, only those data that are to be changed need
be specified.*
> SUBREGION. The first time interval must contain a SUBREGION
packet; the inclusion of this packet in other time intervals
is optional. The number of subregions must not exceed the
maximum specified in the CONTROL packet.
> METHOD. A method must be provided for every variable--
including user-defined variables—in every subregion in the
first time interval. Methods can be changed in subsequent
TIME INTERVAL packets if desired. Note that each parameter
entry contributes to the overall parameter count; the total
number of parameters must not exceed the maximum specified
in the CONTROL packet.
> CONSTANTS. If the method CONSTANT is assigned to any variable
in the METHOD packet, the first time interval must contain a
CONSTANTS packet. More than one CONSTANTS packet can appear
in any time interval.
> GRID VALUES. If the method GRID VALUE is assigned to any
variable in the METHOD packet, the first time interval must
contain a GRID VALUES packet. More than one GRID VALUES
packet can appear in any time interval.
> STATION READINGS. If either the POISSON or STATINTERP method
is assigned to any variable in the METHOD packet, the first
time interval must contain a STATION READINGS packet. More
than one STATION READINGS packet can appear in any time
interval.
5. Additional Input Files
If the method FIXDHEIGHT or SAMEHEIGHT was selected, the DIFFBREAK
file must be input to REGNTP. Otherwise no additional input files are
required.
* If FIXDHEIGHT or SAMEHEIGHT is used, the time intervals specified here
must be exactly the same as those on the DIFFBREAK file; after the first
time interval, subsequent packets may contain no other packets.
vn-ioe
-------
6. Examples
Exhibit VII-11 shows a sample input deck for REGIONTOP file genera-
tion. The output from a REGNTP run using that input deck is shown in
Exhibit VII-12.
VII-107
-------
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VII-112
-------
H. ROADWAY (Not recommended for use at this time)
The ROADWAY file contains time-varying matrices of emission fluxes
along roadways and a descriptive parameter for automobile traffic. The
ROADWAY file can be omitted from a simulation run if surface layer micro-
scale calculations are not to be performed. At present, there is no
general purpose program for creating the ROADWAY file because its genera-
tion is highly dependent on the form of the traffic data available.
There is a program structure, similar to that of the other data prepara-
tion programs, that includes the reading of control packets, unit con-
versions, and writing the proper output records. This program can be
tailored to particular input requirements as necessary. The skeleton
program is named RCADWY. It requires subroutines from the libraries
UTILITY and FILUTIL. Figure VII-15 is an information flow diagran
illustrating the job control to be used. In the following sections we
discuss the card input to the ROADWY program.
1. Variables
The output variables for the ROADWAY file are the species named in
the CONTROL packet and the parameter CARM, which is to be calculated
from the traffic data. Additional user-defined input variables (e.g.
"reactive hydrocarbons") can be specified in the UNITS packet. The
internal units for the roadway emissions of all species except AEROSOLS
are gram-moles per hour (g-mol/hr); for AEROSOLS, the units are grams per
hour (g/hr). The internal units for CARM are meters per hour (m/hr). The
standard names for reactive species recognized by the Airshed Simulation
Program are listed in Chapter IX. If any of these species does not appear
on the ROADWAY file, the roadway emissions will default to zero. If any
additional species appear on ROADWAY, they will be ignored.
2. Methods
The methods that can be used to generate the ROADWAY file are:
VII-113
-------
Link-Node I
Data
I
I
I
I
I
Other Packets
REGION
CONTROL
(5)
ROADWY/
UTILITY
FILUTIL
(6),
Roadway
Emissions
ROADWAY
Figure VII-15.
Information Flow Diagram for the
ROADWAY File
VII-114
-------
> CONSTANT
> ROADVALUE
> SPLIT/CO^
> USER.
The methods ROADVALUE and USER have not been defined. The actual methods
for generating output values from input traffic data must be written
for each new application.
3. Time Variation
The time span of the ROADWAY file must include the entire time
span of the simulation runs for which it is to be used. Roadway emis-
sions and the parameter CARM are considered to be constant during each
time interval.
4. Packets
The packets to be used for ROADWY will depend on the particular
version that is developed for a given set of traffic data. Information
on control parameters, definition of link-node data, units, time inter-
vals, computation methods, and data entry will have to be provided when
the program has been implemented. Figure VI1-16 shows a possible input
structure in terms of the packets to be used.
5. Additional Input Files
In general, a traffic data file in link-node form must be provided.
VII-115
-------
can be repeated ^A
/REGION
/. ,
'CONTROL
>
Figure VII-16. A Possible Input Card Deck Structure for
Preparing the ROADWAY File
VII-116
-------
I. TEMPERATUR
The TEMPERATUR file contains time-varying matrices of temperatures
at ground level. If it is omitted from a simulation run, temperature-
dependent calculations will not be performed (see Section IX.B). The
program TMPRTR is used to create the TEMPERATUR file. TMPRTR requires
subroutines from the libraries UTILITY and FILUTIL. Figure VII-17 is an
information flow diagram illustrating the job control to be used. In
the following sections we discuss the input to the TMPRTR program.
1. Variables
The output variable for the TEMPERATUR file is also named TEMPERATUR.
This is an "implicit output variable" and need not be referred to anywhere
in the CONTROL packet. The internal units for TEMPERATUR are °K. If
the input values for this variable are to be in any other units,
TEMPERATUR must be specified in the UNITS packet..
2. Methods
The methods that can be used to generate the TEMPERATUR file are:
> CONSTANT
> GRID VALUE
> STATINTERP
> POISSON
> E-WINTERP
> N-SINTERP
> USER.
These methods are discussed in detail in Section VI.A.6.
VII-117
-------
rco
Bother Packe^
REGION
CONTROL
1
(5)
TMPRTR/
UTILITY
FILUTIL
(6)
,(28)
Temper-
ature
I TEMPERATURl
Figure VII-17. Infonnation Flow Diagram for
the TEMPERATUR File
VII-118
-------
3. Time Variation
The time span of the TEMPERATUR file must include the entire time
span of the simulation runs for which it is to be used. Ground-level
temperatures are considered to be constant during each time interval.
4. Packets
Figure VII-18 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section
VLB. Following are special input packet considerations for the
TEMPERATUR file:
> CONTROL
- The file name on Card 2 must be TEMPERATUR.
- The control variables to be specified on Cards 4 to 8
for TEMPERATUR are shown in Table VI1-7.
- The number of species should be zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number
of user-defined variables. All such variables must also
be named in the UNITS packet.
- If data from measuring stations are to be used (methods
STATINTERP or POISSON), the maximum number of such stations
must be given.
- The number of subregions must be at least one.
- The maximum number of parameters must be sufficient to
include all specifications of all parameters.
- The vertical controls card (No. 7) should be left blank.
- The file unit assignment card (No. 8) should be left blank.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
VII-119
-------
can be repeated
STATION READINGS
must appear in the
first time interval
Figure VII-18. Input Card Deck Structure for Preparing
the TEMPERATUR File
VII-120
-------
Table VII-7. CONTROL Packet Entries for the TEMPERATUR File
Card
Number Entry
4 Number of species (=0)
Number of user-defined variables
Number of stations
Number of subregions
Number of parameters
Spare
5 Output file number
Print input cards
Print output grid
Spare
Spare
Spare
6 Print units table
Print station locations table
Print regional grid
Print methods table
Print station values table
Spare
7 Spare
Spare
Spare
Spare
Spare
Spare
8 Spare
Spare
Spare
Spare
Spare
Spare
VII-121
-------
- A set of output species names is not required; if they
are present, their number must be the same as the entry
in the first control parameter on Card 4, but they will
be ignored by the program.
REGION. This packet must follow the CONTROL packet. The
vertical parameters will be ignored for the TEMPERATUR file.
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS. This packet is required if either of the methods
STATINTERP or POISSON is specified. The number of stations
listed must not exceed the maximum specified in the CONTROL
packet.
TIME INTERVAL. One or more TIME INTERVAL packets must
be present. The first time interval must begin at or
before the beginning of the time span specified on Card 10
of the CONTROL packet. All time intervals must be con-
tiguous and of nonzero length. Each TIME INTERVAL packet
contains one or more of the following packets and ends with
an ENDTIME card. Following the first time interval, only
those data that are to be changed need be specified.
SUBREGION. The first time interval must contain a SUBREGION
packet; the inclusion of this packet in other time intervals
is optional. The number of subregions must not exceed the
maximum specified in the CONTROL packet.
METHOD. A method must be provided for every variable--
including user-defined variables—in every subregion in the
first time interval. Methods can be changed in subsequent
TIME INTERVAL packets if desired. Note that each parameter
VII-122
-------
entry contributes to the overall parameter count; the total
number of parameters must not exceed the maximum specified
in the CONTROL packet.
> CONSTANTS. If the method CONSTANT is assigned to any variable
in the METHOD packet, the first time interval must contain a
CONSTANTS packet. More than one CONSTANTS packet can appear
in any time interval.
> GRID VALUES. If the method GRID VALUE is assigned to any
variable in the METHOD packet, the first time interval must
contain a GRID VALUES packet. More than one GRID VALUES
packet can appear in any time interval.
> STATION READINGS. If either the POISSON or STATINTERP method
is assigned to any variable in the METHOD packet, the first
time interval must contain a STATION READINGS packet. More
than one STATION READINGS packet can appear in any time
interval.
5. Additional Input Files
No additional input files are required.
6. Examples
Exhibit VII-13 shows a sample input deck for TEMPERATUR file genera-
tion. The output from a TMPRTR run using that input deck is shown in
Exhibit VII-14.
VII-123
-------
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VII-130
-------
J. TERRAIN
The TERRAIN file contains time-invariant matrices of surface rough-
ness and vegetation factors that are used by the Airshed Simulation
Program to calculate vertical diffusivity and surface deposition. If
the TERRAIN file is omitted from a simulation run, single values for
surface roughness and vegetation factors will be used (see Section IX.B).
The program TERAIN is used to create the TERRAIN file. TERAIN requires
subroutines from the libraries UTILITY and FILUTIL. Figure VII-19 is an
information flow diagram illustrating the job control to be used. In
the following sections we discuss the input to the TERAIN program.
1. Variables
The TERAIN program has two implicit output variables: ROUGHNESS
and VEGFACTOR. The internal units for ROUGHNESS are meters (m); VEGFACTOR
is the fraction of surface uptake capability compared to that of alfalfa.
If the input values for ROUGHNESS are to be in any other units, that
variable must be specified in the UNITS packet. VEGFACTOR is unitless;
therefore, its units cannot be changed.
2. Methods
The methods that can be used to generate the TERRAIN file are:
> CONSTANT
> GRID VALUE
> STATINTERP
> POISSON
> E-WINTERP
> N-SINTERP
> USER.
These methods are discussed in detail in Section VI.A.6.
VII-131
-------
Packets
REGION
CONTROL
(5)
TERAIN/
UTILITY
FILUTIL
,(29)
Surface
Roughness
and
Vegetation
TERRAIN
j
Figure VII-19. Information Flow Diagram for the
TERRAIN File
VII-132
-------
3. Time Variation
The TERRAIN file contains values for surface characteristics that
are considered to be invariant over time.
4. Packets
Figure VII-20 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section VLB.
Following are special input packet considerations for the TERRAIN file:
> CONTROL
- The file name on Card 2 must be TERRAIN.
- The control variables to be specified on Cards 4 to 8
for TERRAIN are shown in Table VII-8.
- The number of species should be zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number
of user-defined variables. All such variables must also
be named in the UNITS packet.
- If data from measuring stations are to be used (methods
STATINTERP or POISSON), the maximum number of such
stations must be given.
- The number of subregions must be at least one.
- The maximum number of parameters must be sufficient
to include all specifications of all parameters.
- The vertical controls card (No. 7) should be left blank.
- The file unit assignment card (No. 8) should be left blank.
- The beginning and ending dates and times can be any valid
numbers. They are ignored by the Airshed Simulation
Program.
- A set of output species names is not required; if they
are present, their number must be the same as the entry
in the first control parameter on Card 4, but they will
be ignored by the program.
VII-133
-------
f
END TERRAIN
1
STATION READINGS
GRID VALUES
L
CONSTANTS
1
METHOD
1
SUBREGION
I
STATIONS
UNITS
/REGION
/CONTROL
Figure VII-20. Input Card Deck Structure for Preparing
the TERRAIN File
VII-134
-------
Table VI1-8. CONTROL Packet Entries for the TERRAIN File
Card
Number Entry
4 Number of species (=0)
Number of user-defined variables
Number of stations
Number of subregions
Number of parameters
Spare
5 Output file number
Print input cards
Print output grid
Spare
Spare
Spare
6 Print units table
Print station locations table
Print regional grid
Print methods table
Print station values table
Spare
7 Spare
Spare
Spare
Spare
Spare
Spare
8 Spare
Spare
Spare
Spare
Spare
Spare
VII-135
-------
REGION. This packet must follow the CONTROL packet. The
vertical parameters will be ignored for the TERRAIN file.
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS. This packet is required if either method
STATINTERP or POISSON is specified. The number of
stations listed must not excead the maximum specified in
the CONTROL packet.
SUBREGION. A SUBREGION packet is required. The number of
subregions must not exceed the maximum specified in the
CONTROL packet.
METHOD. A method must be provided for every variable—
including user-defined variables—in every subregion, Mote
that each parameter entry contributes to the overall param-
eter count; the total number of parameters must not exceed
the maximum specified in the CONTROL packet.
CONSTANTS. If the method CONSTANT is assigned to any variable
in the METHOD packet, there must be one or more CONSTANTS
packets.
GRID VALUES. If the method GRID VALUE is assigned to any
variable in the teTHOD packet, there must be one or more
GRID VALUES packets.
STATION READINGS. If either the POISSON or STATINTERP method
is assigned to any variable in the METHOD packet, there must
be one or more STATION READINGS packets.
END TERRAIN. This card must appear to indicate that no more
packets are to be read.
VII-136
-------
5. Additional Input Files
No additional input files are required.
6. Examples
Exhibit VII-15 shows a sample input deck for TERRAIN file generation.
The output from a TER/VIN run using that input deck is shown in Exhibit
VII-16.
VII-137
-------
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K. TOPCONC
The TOPCONC file contains time-varying matrices of pollutant con-
centrations at the top of.the region. The program TPCONC is used to
create the TOPCONC file. TPCONC requires subroutines from the libraries
UTILITY and FILUTIL. Figure VII-21 is an information flow diagram
illustrating the job control to be used. The following sections discuss
the input to the TPCONC program.
1. Variables
The output variables for the TOPCONC file are the species named
in the CONTROL packet. Additional user-defined input variables (e.g.
"reactive hydrocarbons") can be specified in the UNITS packet. THe
internal units for the concentrations of all species except AEROSOLS
are parts per million (ppm); for AEROSOLS, the units are micrograms per
cubic meter (pg/m ). The standard names for reactive species recognized
by the Airshed Simulation Program are listed in Section IX.A. If any of
these species does not appear on the TOPCONC file, the top concentrations
will default to a value defined in the CHEMPARAM file. If any additional
species appear on TOPCONC, they will be ignored.
2. Methods
The methods that can be used to generate the TOPCONC file are:
> CONSTANT
> GRID VALUE
> STATINTERP
> POISSON
> SPLIT/COMB
> ABSTOPCONC
> RELTOPCONC
VII-143
-------
Mil)
DIFFBREAK
V
REGIONTOPh--
V
Other Packet
REGION
CONTROL
(5)
TPCONC
(6)
(31)
Concentra-
tions at
Top of
Region,,
TOPCONC
Figure VII-21. Information Flow Diagram for
the TOPCONC File
VII-144
-------
> E-WINTERP
> N-SINTERP
> USER.
These methods are discussed in detail in Section VI.A.6.
3. Time Variation
The time span of the TOPCONC file must include the entire time span
of the simulation runs for which it is to be used. Concentrations at
the top of the region are considered to be constant during each time
interval.
4. Packets
Figure VI1-22 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section
VLB. Following are special input packet considerations for the TOPCONC
file.
> CONTROL
- The file name on Card 2 must be TOPCONC.
- The control variables to be specified on Cards 4 to 8
for TOPCONC are shown in Table VII-9.
- The number of species must be greater than zero.
- If there are input variables that do not appear as out-
put variables, their number must appear as the number
of user-defined variables. All such variables must also
be named in the UNITS packet.
- If data from measuring stations are to be used (methods
STATINTERP or POISSON), the maximum number of such
stations must be given.
- The number of subregions must be at least one.
- The maximum number of parameters must be sufficient to
include all specification of all parameters.
VII-145
-------
can be repeated
VERTICAL. PROFILES
STATION READINGS
UNITS
v / TIME INTERVAL
r A
STATIONS
must appear in the
first time interval
REGION
CONTROL
Figure VII-22. Input Card Deck Structure for Preparing the
TOPCONC File
VII-146
-------
Table VI1-9. CONTROL Packet Entries for the TOPCONC File
i
Card
Number Entry
4 Number of species
Number of user-defined variables
Number of stations
Number of subregions
Number of parameters
Spare
5 Output file number
Print input cards
Print output grid
Spare
Spare
Spare
6 Print units table
Print station locations table
Print regional grid
Print methods table
Print station values table
Spare
7 Spare
Number of heights in profile
Spare
Print vertical profile tables
Spare
Spare
8 DIFFBREAK file number
REGIONTOP file number
Spare
Spare
Spare
Spare
VII-147
-------
- The vertical controls card (No. 7) must contain the
maximum number of profile heights if ABSTOPCONC or
RELTOPCONC is used. Otherwise, this card should-be blank.
- The file unit assignment card (No. 8) must provide an
entry for REGIONTOP if the method ABSTOPCONC or
RELTOPCONC is selected. It must also provide an entry
for DIFFBREAK if RELTOPCONC is selected.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is required; their number
must be the same as the entry in the first control param-
eter on Card 4.
REGION. This packet must follow the CONTROL packet. The
vertical parameters will be ignored for the TOPCONC file.
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input, in other than internal
units.
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS. This packet is required if the method STATINTERP
or POISSON is specified. The number of stations listed must
•
not exceed the maximum specified in the CONTROL packet.
TIME INTERVAL. One or more TIME INTERVAL packets must be
present. The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet. All time intervals must be contiguous and
of nonzero length. Each TIME INTERVAL packet contains
one or more of the following packets and ends with an
ENDTIME card. Following the first time interval, only
those data that are to be changed need be specified.
VII-148
-------
SUBREGION. The first time interval must contain a
SUBREGION packet; the inclusion of this packet in other
time intervals is optional. The number of subregions must
not exceed the maximum specified in the CONTROL packet.
METHOD. A method must be provided for every variable--
including user-defined variables—in every subregion in
the first time interval. Methods can be changed in subse-
quent TIME INTERVAL packets if desired. Note that each
parameter entry contributes to the overall parameter count;
the total number of parameters must not exceed the maximum
specified in the CONTROL packet.
CONSTANTS. If the method CONSTANT is assigned to any vari-
able in the METHOD packet, the first time interval must contain
a CONSTANTS packet. More than one CONSTANTS packet can appear
in any time interval.
GRID VALUES. If the method GRID VALUE is assigned to any
variable in the METHOD packet, the first time interval must
contain a GRID VALUES packet. More than one GRID VALUES
packet can appear in any time interval.
STATION READINGS. If either the POISSON or STATINTERP method
is assigned to any species in the METHOD packet, the first
time interval must contain a STATION READINGS packet. More
than one STATION READINGS packet can appear in any time
interval.
VERTICAL PROFILES. If the method ABSTOPCONC or RELTOPCONC is
assigned to any species in the METHOD packet, the first time
interval must contain a VERTICAL PROFILES packet. There must
be a vertical profile defined (or implied by means of ALL) for
every variable in every subregion for which the profile
method was specified. The number of height-value pairs in
any single profile must not exceed the maximum specified in
the CONTROL packet. More than one VERTICAL PROFILES packet
can appear in any time interval.
VII-149
-------
5. Additional Input Files
If the method ABSTOPCONC or RELTOPCONC was selected, the REGIONTOP
file must be input to TPCONC. In addition, if the method RELTOPCONC
was selected, the DIFFBREAK file must also be input.
6. Examples
Exhibit VII-17 shows a sample input deck for TOPCONC file generation.
The output from a TPCONC run using that input deck is shown in Exhibit
VII-18.
VII-150
-------
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VII-153
-------
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VII-155
-------
L. WIND
The WIND file contains time-varying matrices of horizontal wind
vector values in three dimensions and scalars representing overall maxima
and average values at the boundaries. The program WNDSET is used to
create the WIND file. WNDSET requires subroutines from the libraries
UTILITY and FILUTIL. Figure VII-23 is an information flow diagram
illustrating the job control to be used. In the following sections we
discuss the input to the WNDSET program.
1. Variables
The WNDSET program has four implicit variables: SPEED, DIRECTION,
WINDX, and WINDY. The first two represent a wind vector in polar form,
and the latter two represent the vector in terms of its x- and y-components.
A three-dimensional matrix is maintained for each variable. In general,
the input to the program will be SPEED and DIRECTION, whereas the vari-
ables written to the WIND file are WINDX and WINDY. The WNDSET program
calculates values for the undefined variables from those for variables
to which values have been assigned.
2. Methods
The methods that can be used to generate the WIND file are:
> CONSTANT
> GRID VALUE
> STATINTERP
> POISSON
> DIVERGENCE
> VECTORIZE
> POLARIZE
VII-156
-------
DIFFBREAK
'(12)
[REGIONTOP r—
[TEMPERATURP-^
(f6ther Packets
'REGION
'CONTROL
(5)
WNDSET/
UTILITY
FILUTIL
(6)
Wind Speed
and Wind
Direction
WIND
Figure VII-23. Information Flow Diagram for the
WIND File
•VII-157
-------
> E-WINTERP
> N-SINTERP
> USER.
These methods are discussed in detail in Section VI.A.6.
Since the WIND file varies in the vertical direction, a vertical
method must also be specified for each output variable in each subregion.
The vertical methods that can be used are:
> CONSTANT
> ABSPROFILE
> RELPROFILE
> DIVERGENCE
> VECTORIZE
> POLARIZE
> E-WINTERP
> N-SINTERP
> VERTUSER.
These vertical methods are discussed in detail in Section VI.A.(5.
3. Time Variation
The time span of the WIND file must include the entire time span
of the simulation runs for which it is to be used. Wind vectors and
scalar values are considered to be constant during each time interval.
4. Packets
Figure VI1-24 shows the input deck structure in terms of the packets
to be used. Each of these packets is described in detail in Section
VLB. Following are special input packet considerations for the WIND
file:
VII-158
-------
can be repeated
VERTICAL PROFILES
[STATION READINGS
must appear in the
first time interval
Figure VI1-24. Input Card Deck Structure for Preparing
the WIND File
VII-159
-------
CONTROL
- The file name on Card 2 must be WIND.
- The control variables to be specified on Cards 4 to 8
for WIND are shown in Table VII-10.
- The number of species should be zero.
- If there are input variables other than the four implicit
variables, their number must appear as the number of
user-defined variables. All such variables must also be
named in the UNITS packet.
- If data from measuring stations are to be used (methods
STATINTERP, POISSON, or DIVERGENCE), the maximum number
of such stations must be given.
- The number of subregions must be at least one.
- The maximum number of parameters must be sufficient to
include all specifications of all parameters.
- The vertical controls card (No. 7) must include maximum
vertical parameter and profile entries as applicable.
- The file unit assignment card (No. 8) must provide entries
for DIFFBREAK and REGIONTOP if any vertical method besides
CONSTANT is selected. In addition, entries for TEMPERATUR
must appear if DIVERGENCE is used.
- The beginning and ending dates and times should reflect
the time variation considerations discussed in Section 3
above.
- A set of output species names is not required; if they
are present, their number must be the same as the entry
in the first control parameter on Card 4, but they will
be ignored by the program.
REGION. This packet must follow the CONTROL packet. The
vertical parameters must be provided for the WIND file.
UNITS. This packet, if present, must follow the REGION
packet. The UNITS packet must be provided if:
- Any input variable will be input in other than internal
units.
VII-160
-------
Table VI1-10. CONTROL Packet Entries for the WIND File
Card
Number Entry
4 Number of species (=0)
Number of user-defined variables
Number of stations
Number of subregions
Number of parameters
Spare
5 Output file number
Print input cards
Print grids for x- and y-components
Print grids for speed and direction
Spare
Spare
6 Print units table
Print station locations table
Print regional grid
Print methods table
Print station values table
Spare
7 Number of vertical parameters
Number of heights in profile
Print vertical methods table
Print vertical profile tables
Spare
Spare
8 DIFFBREAK file number
REGIONTOP file number
Spare
TEMPERATUR file number
Spare
Spare
VII-161
-------
- Any user-defined variables are specified.
- COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the max-
, imum specified in the CONTROL packet.
> STATIONS. This packet is required if any of the methods
STATINTERP, POISSON, or DIVERGENCE is specified. The number
of stations listed must not exceed the maximum specified in
the CONTROL packet.
> TIME INTERVAL. One or more TIME INTERVAL packets must be
present. The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet. All time*intervals must be contiguous and
of nonzero length. Each TIME INTERVAL packet contains one
or more of the following packets and ends with an ENDTIME
card. Following the first time interval, only those data
that are to be changed need be specified.
> SUBREGION. The first time interval must contain a SUBREGION
packet; the inclusion of this packet in other time intervals
is optional. The number of subregions must not exceed the
maximum specified in the CONTROL packet.
> METHOD. A method must be provided for every variable--
including user-defined variables—in every subregion in the
first time interval. Methods can be changed in subsequent
TIME INTERVAL packets if desired. Note that each parameter
entry contributes to the overall parameter count; the total
number of parameters must not exceed the maximum specified
in the CONTROL packet.
> VERTICAL METHOD. A vertical method must be provided for every
variable—including user-defined variables—in every subregion
in the first time interval. Vertical methods can be changed
in subsequent TIME INTERVAL packets if desired. Note that
each vertical parameter entry contributes to the overall ver-
tical parameter count; the total must not exceed the maximum
specified in the CONTROL packet.
VII-162
-------
> CONSTANTS. If the method CONSTANT is assigned to any variable
in the METHOD packet, the first time interval must contain a
CONSTANTS packet. More than one CONSTANTS packet can appear
in any time interval.
> GRID VALUES. If the method GRID VALUE is assigned to any
variable in the METHOD packet, the first time interval must
contain a GRID VALUES packet. More than one GRID VALUES
packet can appear in any time interval.
> STATION READINGS. If either the POISSON, DIVERGENCE, or
STATINTERP method is assigned to any variable in the METHOD
packet, the first time interval must contain a STATION
READINGS packet. More than one STATION READINGS packet can
appear in any time interval.
> VERTICAL PROFILES. If any of the profile methods are assigned
to any variable in the VERTICAL METHOD packet, the first time
interval must contain a VERTICAL PROFILES packet. There must
be a vertical profile defined (or implied by means of ALL)
for every variable in every subregion for which a profile
method was specified. The number of height-value pairs in
any single profile must not exceed the maximum specified in
the CONTROL packet. More than one VERTICAL PROFILES packet
can appear in any time interval.
Typically, the wind values input will be in terms of SPEED and
DIRECTION at measuring stations, whereas the variables output to the
file are WINDX and WINDY. In this case, the methods and vertical methods
should be specified as follows:
> For SPEED and DIRECTION, use the method and vertical
method POLARIZE if speed and direction grids are to be
printed, or CONSTANT if they are not to be printed. If
CONSTANT is chosen, supply a dummy CONSTANTS packet to
give an arbitrary initial value to the SPEED and DIRECTION
grids.
> For WINDX and WINDY, specify one of the methods using
station readings—STATINTERP, POISSON, or DIVERGENCE—
and the vertical method desired for computation.
VII-163
-------
In each time interval, missing values of WINDX and WINDY for station
readings and vertical profiles will be calculated from SPEED and DIRECTION,
and vice versa. To ensure that old values are replaced with the appropriate
new values, the variables WINDX and WINDY must be cleared to -9. before
reading in the data for a new time invertal. For station readings, the
following can be done:
STATION READINGS STATION READINGS
ALL ALL -9.
ALL
ALL
END
WINDX
WINDY
-9.
-9.
A shorthand method for clearing an entire vertical profile to -9. has also
been provided—simply specify -9 as the number of profile heights,, as
shown in the followina example:
VERTICAL PROFILES
A ALL 4200._ 5000. -9
END-
5. Additional Input Files
If any vertical method besides CONSTANT was selected, the DIFFBREAK
and REGIONTOP files must be input to WNDSET. In addition, if DIVERGENCE
was selected the TEMPERATUR file must also be input.
6. Examples
Exhibit VI1-19 shows a sample input deck for WIND file generation.
The output from a WNDSET run using that input deck is shown in Exhibit VII-20.
VII-164
-------
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-------
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VII-176
-------
VIII SEGMENTATION OF M.E.B. FILES
If the entire modeling region is too large to fit within the core
limitations of the Airshed Simulation Program, the region must be sub-
divided into rectangular subregions called "segments" that wi11 fit into
core. The segmentation process involves (1) determining the size and
layout of the segments and (2) running the file segmentation program to
create segmented versions of each spatially varying data file. This
chapter first describes how to determine the core requirements for a given
segmentation scheme and then'how to use the file segmentation program.
A. CALCULATING CORE REQUIREMENTS
The maximum horizontal dimensions allowable for a single segment
depend on the number of segments, the number of vertical levels and chem-
ical species, and the number of point sources within the modeling region;
the program options selected; and the amount of core available on the
host computer. When the Airshed Simulation Program is installed on a
particular computer, it will contain a vector of available space. The
length of this vector is specified when the program is compiled and
should be as large as possible. The vector of available space is used
to hold the following four tables:
> Segment
> Local
> Boundary
> Segment scratch.
The detailed contents of these tables appear in Chapter VII of the Systems
Manual. Only the methods of calculating the length of each table are
described here.
VIII-1
-------
To determine whether a segment of a given size will fit in core, the
calculated sizes of the tables must be summed and that total compared
with the amount of available core. The calculations for each table are
discussed next, followed by Exhibit VIII-1, which is a worksheet to be
used for the calculations. Finally, a sample problem is presented showing
the calculation of core requirements for different segmentation schemes
for the same region.
1. Segment Table
The Segment Table contains 65 entries for each segment.
S.T. = 65*seg ,
where seg « number of segments.
2. Local Table
The Local Table contains vectors used by the numerical integration
routines.
where
L.T. = 5 + 32z + zs + 5s
+ 4r + 2r2
6x
max
z » number of vertical levels,
s - number of chemical species,
r = number of reactive species,
maximum dimension in x or y direction for
any segment.
VIII-2
-------
Fixed Dimensions Simulation Options (1 = yes, 0 s no)
2 =
S =
r =
TEMPERATUR =
TERRAIN
ROADWAY
VARIATION =
X
y
p
interface
Seg
1
2
ment
3
4
65 x
5 +
seg
4r
+ +
Zr'
5T
'fjr'max
8(x+y) zs (interface)
8 + + +
2terr temp road
TT"
(2
road var
zs
Sum of all tables =
Available storage =
(S.T.)
(L.T.)
(B.T.)
(S.S.T.)
Exhibit VII1-1. Storage Requirements Worksheet
VIII-3
-------
3. Boundary Table
The Boundary Table contains the boundary cell definitions and the
concentrations in the interface cells for a single segment. The "inter-
face cells" of a segment are those that lie within the two-cell overlap
into the adjacent segment. The number of interface cells in a segment
is two times the sum of the lengths of each nonexternal edge. For non-
symmetrical segmentation schemes (such as that shown in Figure VIII-3),
the Boundary Table length for each segment must be calculated
to determine the maximum storage requirement.
•
B.T. » 8(x + y) + zs (interface) ,
where
z = number of vertical levels,
s = number of chemical species,
(x+y) = sum of x and y dimensions for the segment,
(interface) = number of interface cells in the segment,
i.e., 2 times the length of all nonexternal
edges.
4. Segment Scratch Table
The Segment Scratch Table contains all the other spatially varying
data arrays, including predicted concentrations and variations, and the
point source data, for one segment.
S.S.T. = xy 8 + 2(terr) + 1 (temp) + 1 (road)
+ 2z + s[2 + l(road) + l(var)] + zs
+ p(2 + s)
VIII-4
-------
where
x - number of cells in x direction;
y = number of cells in y direction;
p = number of point sources;
z = number of vertical levels;
s = number of chemical species;
terr = 1, if TERRAIN file input,
0, otherwise;
temp = 1, if TEMPERATUR file input,
0, otherwise;
road = 1, if ROADWAY file input,
0, otherwise;
var = 1, if concentration variations are calculated,
0, otherwise.
5. A Sample Problem
As an example, consider the region shown in Figure VIII-1, which is
17 x 22 cells, with the outer edge used as the boundary; the area modeled
is thus 15 x 20 cells. There are 4 cells in the vertical direction,
13 chemical species to be modeled, and 200 elevated point sources. There
are spatially varying terrain and temperature data but no roadway emis-
sions file and, therefore, no surface layer variations. The core require-
ment calculations for this unsegmented region, which are shown in Exhibit
VIII-2, indicate that the vector of available space must be at least 40373
words long. If it is not that long, the region must be divided into
segments small enough to fit in core.
First, the user must try dividing the region in half, as shown in
Figure VIII-2. (Recall that at each segment interface there is a two-cell
overlap into the adjacent segment.) The resulting two segments are each
17 x 13 and the area modeled within each is 15 x 10. Each has one non-
external edge 17 cells long. If the point sources are distributed fairly
VIII-5
-------
Segment Inner Area Total Area Interface Cells
1 15 x 20 17 x 22 0
Modeling
Region
Simulated
Area
Figure VIII-1. Sample Region—Unsegmented
VIII-6
-------
Fixed Dimensions ' Simulation Options (1 = yes, 0 = no)
z
s
r
= -y TEMPERATUR = /
= J3 TERRAIN = /
« JSL ROADWAY = o
VARIATION = o
Segment
x
y
p
interface
1
n
.22.
J.OQ
—
2
3
•
4
65 x
seg
5 + /;z.2 + 53. +
32z zs 5s
4r
2r'
6(x,y)
max
3? + O
8(x+y) zs (interface)
8 + JL + / + 0
2terr temp road
(2 + o + o I
road var
+ SSL
ZS
•[ ]
lS_ x
(S.T.)
7/g (L.T.)
5/3. (B.T.)
Sum of all tables = YO 373
Available storage * 30. 000
Exhibit VIII-2. Worksheet Filled Out for an Unsegmented Region
VIII-7
-------
Segment Inner Area Total Area Interface Cells
1 15 x 10 17 x 13
2 15 x 10 17 x 13
2 x 17
2 x 17
Segment 2 /
Interface Cells
Interface Cells
>Segment 1
* Segment origins input to the file segmentation program.
Figure VIII-2. Sample Region Divided into Two Segments
VIII-8
-------
evenly throughout the region, there will be approximately 100 in each segment
(count only the point sources within the modeled area, not those in the
interface cells). Exhibit VIII-3 shows the computation of a core require-
iient of 25763 for this two-segment scheme.
If the two-segment scheme is still too large, the region can be further
divided. Figure VIII-3 illustrates a three-segment scheme, without the actual
segment edges drawn in. Size computations are shown in Exhibit VIII-4.
The objective of any segment layout design is to minimize the length
of the segment boundaries to obtain segments that are as nearly square
and equal sized as possible. Thus, the arrangement of the three segments
shown in Figure VIII-3 represents a more efficient utilization of core
space than that which would be obtained by merely cutting the region into
three slices along either axis.
B. THE FILE SEGMENTATION PROGRAM
The spatially varying data files must be converted into segmented form_
according to the region segmentation scheme selected. If segmentation is
not necessary, the files may be used in their unconverted form since unseg-
mented files are structured like segmented files that contain only one
segment. The file segmentation program (SEGDEF) is used to create a segmented
file from an unsegmented file. It will operate on any of the 11 spatially
varying M.E.B. files, but only on one at a time. SEGDEF requires subroutines
from the libraries UTILITY and FILUTIL.
The input to SEGDEF consists of a card deck and one unsegmented file,
as illustrated in Figure VIII-4. The CONTROL and REGION packets are described
in detail in Section V.A. The SEGMENTDEF and SEGMENT FILE packets are defined
here in Sections B.I and B.2.
VIII-9
-------
Fixed Dimensions ' Simulation Options (1 = yes, 0 = no)
z
s
TEMPERATUR
TERRAIN
ROADWAY
VARIATION
x
y
p
interface
Seg
1
n
/3
/06
3y
2
/7
i3
/oa
jy
ment
3
4
65 x A
seg
5 + /s.'s + 5^ +
32z zs 5s
'•''max
8(x+y) zs (interface)
8
Iterr
temp
O
road
+ /3 (2 + Q
§ road
^ 57-
zs
O
var
?7 x
[ ]
4 /S X _/££
p
Sum of all tables
/30 (S.T.)
(L.T.)
.2003- (B.T.)
937 (S.S.T.)
7 (e 3
Available storage = 3000
Exhibit VIII-3. Worksheet Filled Out for a Two-Segment Region
VIII-10
-------
Segment Inner Area Total Area Interface Cells
1 7x13 10 x 16 2 x (10 + 16)
2
3
8x13
15 x 7
11 x 16
17 x 10
2 x (11 + 16)
2 x 17
1}
* Segment origins input to the file segmentation program.
Figure VIII-3. Sample Region Divided into Three Segments
VIII-11
-------
Fixed Dimensions ' Simulation Options (1 ~ yes, 0 - no)
z =
s =
r s /SL
TEMPERATUR
TERRAIN
ROADWAY
VARIATION
x
y
p
interface
65 x 3
seg
Seg
1
10
Ib
£Z
2
H
1(9
*
ment
3
/7
10
jy
4
5 + /it + JA + ^5
32z zs 5s
4r
l>jr/max
j.7 + si
8(xty) zs (interface)
8
Iterr temp roa
2z
/3 (2
road var
+ 3"2
zs
-[ ]
/9S* (S.T.)
(L.T.)
^Y (B.T.)
Sum of all tables
Available storage =
a. / 7
Exhibit VIII-4. Worksheet Filled Out for a Three-Segment Region
YIII-12
-------
(Unsegmented
I File
END SEGMENT
r
SEGMENT FILE
r
SEGMENTDEF
I
REGION
/"CONTROL
(5)
SEGDEF
.(27)
Grid
Printout
Segmented
File
Figure VII1-4. Information Flow Diagram for the File Segmentation Program
VIII-13
-------
The CONTROL packet entries for SEGDEF are shown in Table VIII-1. The follow-
ing are special considerations for the CONTROL and REGION packets that pertain
to this program:
• > CONTROL
- The file name provided in Card 2 must be SEGMENTDEF.
- The only options recognized by the file segmentation
program are the number of species, the number of seg-
ments, and the print flags for the input cards and the
segmented regional grid.
- The beginning and ending dates can be the same as or
contained within those of the file to be segmented.
- The list of species may be a subset of the list in the
file; their number must be the same as the entry in the
control parameter above. If the file to be segmented
contains no species, the list can be omitted.
> REGION
- This packet is standard in all respects. The region
can be a subregion of the region described in the file;
if the file is three-dimensional, vertical parameters
in the REGION packet must match those on the file.
1. The SEGMENTDEF Packet
The SEGMENTDEF packet provides the definition of the segmentation
scheme. The contents of this packet are described in Table VII1-2, and
the format is shown in Exhibit VIII-5. For every segment there should be
one Card 2 containing parameters defining the inner, modeled area of the
grid. Thus, in the Figure VIII-2, a two-segment scheme, the origin of
Segment 1 is defined as Cell (2,2) and its dimensions are 15 x 10. The
origin of Segment 2 is defined as Cell (2,12) and its dimensions are also
15 x 10. The file segmentation program adds extra cells as necessary at
external boundaries and at segment interfaces, and adjusts the origins and
dimensions accordingly. In Figure VIII-3, the segment origins to be specified
in the SEGMENTDEF packet are indicated by stars in the grid cells.
VIII-14
-------
Table VIII-1. CONTROL Packet Entries for File Segmentation
Card
Number Entry
4 Number of species
Spare
Spare
Number of segments
Spare
Spare
5 Spare
Print input cards
Print regional grid
Spare
Spare
Spare
6 Spare
Spare
Spare
Spare
Spare
Spare
7 Spare
Spare
Spare
Spare
Spare
Spare
8 Spare
Spare
Spare
Spare
Spare
Spare
VIII-15
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The SEGMENT FILE packet provides the name of the file to be segmented
and the standard input and output units for the unsegmented and segmented
files, respectively. The contents of this packet are described in Table
VIII-3, and the format is shown in Exhibit VIII-6. The file name on the
file designation card must be one of the following:
> AIRQUALITY
> BOUNDARY
> DIFFBREAK
> EMISSIONS
> PTSOURCE
> REGIONTOP
> ROADWAY
> TEMPERATUR
> TERRAIN
> TOPCONC
> WIND
The input file unit number must always be 17, and the output file unit
number must always be 27.
Exhibit VIII-7 shows sample input to the file segmentation program;
Exhibit VIII-8 shows sample output from this program.
VIII-18
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IX PREPARATION OF CONTROL DATA
Of the 14 files Input to the Airshed Simulation Program, two are
classified as control data files: the Chemistry Parameters file
(CHEMPARAM), and the Simulation Controls file (SIMCONTROL). This chap-
ter describes in detail the preparation of these files and includes for
each a job control illustration, packet item definitions and packet
formats, worksheets, and sample input and output listings.
A. THE CHEMISTRY PARAMETERS FILE
The Chemistry Parameters (CHEMPARAM) file names the species to be
simulated and specifies values for species-related and reaction-related
parameters. Figure IX-1 is an information flow diagram for use in set-
ting up the job control for a CHEMPARAM file creation run. The program
that creates the CHEMPARAM file is called CPREP; it requires as input a
CONTROL packet, a SPECIES packet, and if there is to be chemistry, a
REACTIONS packet and a COEFFICIENTS packet (fully described below). The
printed output from CPREP consists of input numbers, error messages, if
any, and the values written to the CHEMPARAM file (see Section A.5 of
this chapter for sample input and output listings). The file itself is
written to FORTRAN Unit 2, and the file format is given in Chapter IX
of the Systems Manual.
1. CONTROL Packet Rules for the CHEMPARAM File
An abbreviated CONTROL packet is used to create the CHEMPARAM file.
The packet names and identifies the file and specifies for it the number
of species, reactions, and coefficients. This packet must be entered
before any other packet. The contents of each card in the CONTROL pack-
et are described in Table IX-1 and the format is shown in Exhibit IX-1.
IX-1
-------
(6)
Printed
Values
/COEFFICIENTS
^REACTIONS
/SPECIES
/CONTROL
(5)
CPREP
(2)
CHEMPARAM
Figure IX-1. Information Flow Diagram for Use in
Creation of the CHEMPARAM File
IX-2
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2. SPECIES Packet Rules for the CHEMPARAM File
The SPECIES packet must follow the CONTROL packet in the input deck
used to create the CHEMPARAM file. The SPECIES packet consists of a
packet header card, one pair of Cards 2 and 3 for each species to be
simulated, and a packet terminator card. The contents of each card in
the SPECIES packet are described in Table IX-2, and the format is shown
in Exhibit IX-2.
The chemical species can appear in any order on the CHEMPARAM file,
provided that all the reactive species precede all the unreactive
species. The output files AVERAGE, INSTANT, and VARIATION will contain
these species in this order.
If any reactive species are to be simulated, their names must cor-
respond to the species names used in the chemical mechanism that is
built into the program. For the Carbon-Bond II Mechanism (currently built
into the program), the following species names are required:
> NO
> N02
> 03
> ETH
> OLE
> PAR
> CARB
> ARO
> BZA
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> CO.
All the first 10 species (NO through PAN) must appear (though not neces-
sarily in the order listed) and all must be flagged as reactive. CO must
IX-5
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IX-8
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also appear, without a reactive flag, and must follow the listing of all
the reactive species. S02 and AEROSOLS each can be named as reactive or
unreactive, or they can be omitted from the simulation altogether. Any
other reactive species are illegal, since there have been no reactions
defined to deal with them. However, any other unreactive species can be
specified without limitation other than core availability.
The species names on the species-varying data files must also cor-
respond to the names in the CHEMPARAM file. If a name that is not on the
CHEMPARAM file appears on a data file, the data for that species will be
ignored. If a name is on the CHEMPARAM file but does not appear on a
data file, the following default values apply:
> For concentration data (from AIRQUALITY, BOUNDARY, or
TOPCONC), the steady-state lower bound values (see
Card 3 of the SPECIES packet) will be used.
> For emissions data (from EMISSIONS, ROADWAY, or
PTSOURCE), the value zero will be used.
Exhibit IX-3(a) is a worksheet that can be used to aid in the prepar-
ation of the SPECIES packet. Exhibit IX-3(b) is a sample of that worksheet
filled in with typical values used for the Carbon-Bond II Mechanism.
IX-9
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IX-11
-------
3. REACTIONS Packet Rules for the CHEMPARAM File
If the number of reactions specified in the CONTROL packet is
greater than zero, there must be a REACTIONS packet following
the SPECIES packet. If there are no reactions, the REACTIONS packet
must be omitted. This packet consists of a header card, a mechanism
name, one card for each reaction, and a packet terminator. The contents
of each card in the REACTIONS packet are listed in Table IX-3, and the
format is shown in Exhibit IX-4.
For simulation purposes, a reaction is considered to be photolysis,
or temperature-dependent, or neither of these. If the photolysis flag
is "on" (i.e., a value of P is punched in Column 21), the reaction is
photolysis. If the photolysis field is not P and the reaction rate
constant and activation energy are nonzero, the reaction is temperature-
dependent, and a nonzero value for the reference temperature must be
provided. If the reaction rate constant or the activation energy is
zero, the reaction is considered to be not temperature dependent.
Exhibit IX-5(a) is a worksheet that can be used to aid in the prepara-
tion of the REACTIONS packet. Exhibit IX-5(b) is a sample of that
worksheet filled in with typical values used for the Carbon-Bond II Mech-
anism. Since temperature-dependent reaction rates are recalculated
with an exponential expression at each time step in each grid cell, it
is suggested that the temperature-dependence parameters—activation
energy and reference temperatures—be specified for only those reactions
for which the temperature range experienced during the simulation period
will produce significant differences in predicted concentrations. For
the Carbon-Bond Mechanism, the activation energies considered important
at present are indicated in the example of Exhibit IX-5(b).
IX-12
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IX-20
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IX-22
-------
4. COEFFICIENTS Packet Rules for the CHEMPARAM File
If the number of coefficients specified in the CONTROL packet is
greater than zero, there must be a COEFFICIENTS packet, and it must
follow the REACTIONS packet (or the SPECIES packet, if there is no
REACTIONS packet). If there are no coefficients, this packet must be
omitted. The COEFFICIENTS packet consists of a header card, one card
for each coefficient, and a packet terminator. The contents of each card
are described in Table IX-4, and the format is shown in Exhibit IX-6.
Exhibit IX-7(a) is a worksheet that can be used to aid in the prep-
aration of the COEFFICIENTS packet. Exhibit IX-7(b) is a sample of
that worksheet filled in with typical values used for the Carbon-Bond II
Mechanism.
IX-23
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IX-24
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5. CPREP Sample Input and Output
Exhibit IX-8 is a listing .of an input deck used to create a
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out to the CHEMPARAM file.
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B. THE SIMULATION CONTROLS FILE
The Simulation Controls (SIMCONTROL) file, generally the last to
be prepared, is the input file likely to be varied the most frequently.
As previously mentioned, this file can routinely be prepared as a sep-
arate job step within each airshed simulation run.
Figure IX-2 is an information flow diagram for use in setting up
the job control for a SIMCONTROL file creation run. The program that
creates the SIMCONTROL file is called SPREP. It requires as input a
CONTROL packet and a SIMULATION packet, which are described in detail
in the next section. The printed output from SPREP consists of input
numbers, error messages, if any, and the values written to the
SIMCONTROL file (see Section B.3 of this chapter for sample input and
output listings). The file itself is written to FORTRAN Unit 1, and
the file format is given in Chapter IX of the Systems Manual.
1. CONTROL Packet Rules for the SIMCONTROL File
An abbreviated CONTROL packet is used to create the SIMCONTROL
file. The packet names and identifies the type of file to be created,
and it must be entered before any other packet. The contents of each
card in the CONTROL packet are described in Table IX-5, and the format
is shown in Exhibit IX-10.
2. SIMULATION Packet Rules for the SIMCONTROL File
The SIMULATION packet must follow the CONTROL packet in the input
deck used to create the SIMCONTROL file. The contents of each card in
the SIMULATION packet are described in Table IX-6 and the format is
shown in Exhibit IX-11.
IX-36
-------
(6)
Printed
Values
/SIMULATION
CONTROL
(5)
SPREP
(1)
SIMCONTROL
Figure IX-2. Information Flow Diagram for Use in
Creation of the SIMCONTROL File
IX--37
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3. SPREP Sample Input and Output
Exhibit IX-12 is a listing of an input deck used to create a
SIMCONTROL file. Exhibit IX-13 is the printout that was generated by
SPREP; it first lists the values on the input cards as they are read
in, and then shows these values put out to the SIMCONTROL file.
IX-49
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IX-52
-------
X AIRSHED SIMULATION
After all the input data files have been prepared as described in
the preceding chapters, running the Airshed Simulation Program is simply
a matter of properly assigning all the input files and arranging to save
all the desired output files. That is, running the simulation is-pri-
marily a job control function, since the bulk of the input and output
processing is performed outside of this step.
This chapter discusses job control in terms of input, scratch, and
output files; describes and presents samples of the printed output; and
discusses the error messages generated by the program. Also included is
a worksheet that can be used to keep track of files.
A. JOB CONTROL
Figure X-l shows the information flow for the Airshed Simulation
Program. (Each group of files is discussed in more detail later.) Dotted
lines indicate a possible creation of the SIMCONTROL file in a separate job
step, and a possible restart using a previously generated output INSTANT
file as an input AIRQUALITY file. Because the actual job control state-
ments required are highly dependent on a particular implementation or
computer, they are not specified here, but should be developed by the com-
puter personnel who implement the system.
Tables X-l, X-2, and X-3 show the FORTRAN unit assignments of the
Airshed Simulation Program's input, scratch, and output files, respec-
tively. Currently, these unit assignments are compiled in the program by
data statements in the subprogram BLKDAT. For instructions on changing
the assignments, see Section VII.H. of the Systems Manual. The local file
designation that corresponds to each data file should be entered in the
tables for each specific implementation:
X-l
-------
I S1«ulit1on I
1 Controls 1
i ,
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r
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V V
L J
Figure X-l. Information Flow Diagran for the Airshed Simulation Program
X-2
-------
Table X-l. Input File Assignments
File Name
AIRQUALITY
BOUNDARY
DIFFBREAK
EMISSIONS
METSCALARS
PTSOURCE
REGIONTOP
ROADWAY
TEMPERATUR
TERRAIN
TOPCONC
WIND
CHEMPARAM
SIMCONTROL
Unit
No.
3
11
12
13
7
14
15
16
17
4
18
19
2
1
File Closed
Optional During
LBL Ifn* File Simulation
AIRQ
BOUND
DIFBK
EMISS
METS
POINTS
REGTOP
ROAD
TEMP
TERAIN
TOPCON
WIND
CPARAM
SIMCTL
/
/
/
/
/ /
/
/
* "Ifn" means local file name.
X-3
-------
Table X-2. Scratch File Assignments
File Name
INTERINST
BON1
BON2
CON1
CON2
CUM!
CUM2
SEG1
SEG2
Unit
No.
30
37 '
38
33
34
35
36
31
32
LBL Ifn
TAPE30
t
t
TAPE 33
TAPE 34
TAPE35
TAPE36
TAPE31
TAPE 32
Optional
File
it
*
*
*
*
File Closed
During
Simulation
* Not used for runs with only one segment.
t The LBL system utilizes large core memory instead
of these files ; UNIVAC uses extended memory.
Table X-3. Output File Assignments
File Name
AVERAGE
INSTANT
VARIATION
Execution
Trace
Unit
No.
21
22
23
6
Optional
LBL Ifn File
AVERAG /
INST /
CONVAR /
OUTPUT
File Closed
Duri ng
Simulation
X-4
-------
> For the LBL CDC 7600 system, six-character mnemonic names
are used instead of "TAPEnn."
> For the UNIVAC 1100 systems, the internal file names are
the unit numbers themselves.
> For IBM systems, the DD names are of the form "FTnnFOOl."
1. Input Files
Table X-l lists fourteen input files—twelve M.E.B. files and two con-
trol files. Four of the M.E.B. files are optional: PTSOURCE, ROADWAY,
TEMPERATUR, and TERRAIN; all other input files must be present. For
more information on selecting input file options and providing default
values for the data omitted, see the Section IX.B on preparation of the
SIMCONTROL file.
2. Scratch Files
Table X-2 shows the nine scratch files that might be used by the
simulation. The actual number of files used and the method of assigning
them are governed by the particular implementation of the system. For
example, at LBL, only seven of the files are used, and the other two
are represented by vectors in large core memory. See Section VII.B
of the Systems Manual for more detailed information on the scratch files.
3. Output Files
As shown in Table X-3, the Airshed Simulation Program can write up to
three binary data files, which are described in detail in Chapter IX of the
Systems Manual. The presence or absence of these files is determined by
parameters on the SIMCONTROL file:
X-5
-------
> AVERAGE will be written if the averaging interval is less
than 99.0 hours.
> INSTANT will be written at the beginning of the simulation,
at the instantaneous output interval, and also at the end of
each averaging interval if that time does not coincide with
an instantaneous output time. If both the instantaneous
output interval and the averaging interval are greater than
99.0 hours, INSTANT will not be written at all.
> VARIATION will be written if the concentration variation
option is TRUE and the averaging interval is less than
99.0 hours.
B. PRINTED OUTPUT
The printed output from the simulation program appears on the Execution
Trace file—ordinarily the standard print unit—and always contains at least
the following information:
> A complete display of the contents of the SIMCONTROL and
CHEMPARAM files.
> The region description as specified on the BOUNDARY file.
This description serves as the standard for the run: the
horizontal grid parameters on all other spatially varying
files and the vertical distribution parameters on all other
vertically varying files must match those of the BOUNDARY
file.
> The header information from each M.E.B. file. If the files
were uniquely identified at the times they were created,
this information completely defines all data input to the
run.
> A message when each non-time-varying file is closed.
> A message at the end of each time slice indicating elapsed
CPU time (if the host computer provides the capability).
> A message at the termination of the run.
X-6
-------
As indicated on the SIMCONTROL file, additional printed output
options are also available that are primarily useful for debugging:
> The file history printout consists of a message printed
whenever a time interval record is read from any file.
During early simulation runs, this information can help
the user follow the progress of the run.
> The storage allocation printout consists of tables list-
ing pointers to scratch storage. Each entry is the rela-
tive location of a data array in a single storage vector.
To interpret these tables, see Section VII.B of the
Systems Manual.
> Instantaneous and average concentration arrays may be
printed at the same time they are written on the files.
They are printed by segments, within each segment by
species, and within each species by vertical level.
These printouts contain values in the boundary cells
that do not necessarily represent the actual boundary
values at the time; thus, they should be used only for
program debugging or for preliminary runs for which
the binary output files are not to be saved.
Exhibit X-l is an annotated excerpt of the output from a successful Airshed
Simulation Program run that contains samples of all the normal and optional
information printed.
If the Airshed Simulation Program is unable to perform the chemistry
step successfully for any cell, it will give a "crash printout," showing
the values in all data arrays in the vicinity of the cell where the error
occurred. Also included are the values in the local vectors used by the
simulation. A sample of the crash printout is shown in Exhibit X-2.
The user should examine this printout and look for anomalous values of
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any data. Check that printed values correspond to the data expected from
the input files.
If no readily apparent errors can be found in the model inputs, then
the available input and output should be examined by someone familiar with
the technical components of the model. In undertaking the diagnosis, one
should note the cause of the failure (iteration limit exceeded or negative
concentration predicted). First, attention should be given to reaction
rate constants and stoichiometric coefficients. Next, the predicted concen-
trations should be examined. Usually, one will note predictions for one or
more pollutants that fall outside the expected nominal range of values for
the particular contaminants in question. The development of an understand-
ing of how these concentration values occurred will often suggest means for
resolving the problem. For example, a very high NO concentration prediction
may be causing the model to predict negative 03 concentrations. The user
might subsequently find that the NO emissions rate from a point source was
in error by a factor of 100. Skill in diagnosing such problems requires
some familiarity with the physical and chemical processes that take place
in the atmosphere as well as an understanding of how these processes are
treated in the model.
C. ERROR CONDITIONS
Table X-4 lists error conditions that could cause the Airshed Simulation
Program to terminate before the simulation is completed. These are situa-
tions detected by the program itself rather than by the operating system,
and the program will exit normally. Included in the table are the names of
the subroutines in which the error messages are printed.
X-31
-------
Table X-4. Airshed Simulation Program Error Conditions
Error Condition
Control file errors
File improperly named
Species or coefficient required by built-in
chemical mechanism is missing
Reactive species not listed in built-in
mechanism
Allocation errors
Space allocation exceeded—region dimensions
too large
M.E.B. file errors
File missing or improperly named
Time span on file does not encompass time
span of run
Region or segment definition does not match
that on BOUNDARY file
Time intervals on file are not contiguous
Unexpected end-of-file
Chemistry errors
Negative concentrations at minimum step
size
Nonconvergence of concentration values at
minimum step size
Nonconvergence of
iteration
Other errors
Program about to run out of time
Subroutine(s)
That Print Errors
SCREAD, CHREAD
SPECID
SPECID
ALLOC
HDRCK
HDRCK
HDRCK
FILSKP, FILCK
Any file-read
routine
STEP4
STEP4
CHEM
FINISH
X-32
-------
XI DISPLAY AND ANALYSIS
Concentration values predicted by the Airshed Simulation Program are
saved on binary files and are thus available for any display and analysis tech-
niques that might be developed. At present, there is one program available to
handle the airshed simulation output files. Currently, it can be used only for
the display of the concentration data, but analysis capabilities can be easily
added. In this chapter, the general capabilities of the display program are
discussed, followed by descriptions and examples of its input and output. A
detailed description of the program is given in the Systems Manual.
A. CAPABILITIES OF THE DISPLAY PROGRAM
The display program provides for two distinct operaing modes: prediction
and comparison. In the "prediction" mode, concentration predictions are read
from one airshed simulation run, and concentration maps and vertical concentra-
tion profiles are printed. Capabilities that could be added to the program in
this mode include contour mapping of concentration isopleths and calculation of
some simple statistics, such as hourly maximum concentrations for each species,
frequency of exceeding certain specified levels, and concentrations averaged
over time periods longer than that used by the simulation.
In the "comparison" mode, which has been provided for but not yet im-
plemented, one set of concentrations would be subtracted from another, and all
further display and analysis would be performed on the resulting array of dif-
ferences. The comparison mode could be used for validating model predictions
against observed data as well as assessing the impact of different model scen-
arios.
The display program is currently capable of processing a region of up to
30 x 30 grid cells in the horizontal plane, with a maximum of 13 chemical
species. These maximum dimensions can be changed by recompiling the program.
XI-1
-------
B. INPUT REQUIRED BY THE DISPLAY PROGRAM
As illustrated in Figure XI-1, the input to the display program con-
sists of the following:
> Card-supplied display options and print controls.
> Three data files used by the simulation program.
> One output concentration file from the simula-
tion program.
> Optionally, a second concentration data file.
This section discusses first the data files that are to be input, and then
details the contents and format of the input cards.
1. Data File Input
If concentration maps and vertical profiles are requested (currently
the only features available), the BOUNDARY, DIFFBREAK, and REGIONTOP files
used for the simulation run must be input. The BOUNDARY file describes the
segmentation layout and defines the boundary of the simulated area in the
horizontal plane. The DIFFBREAK and REGIONTOP files are used to calculate
vertical heights at selected stations. If the simulation has been performed
with more than 1 segment, it is the segmented versions of the BOUNDARY,
DIFFBREAK, and REGIONTOP files that must be provided to the display program.
One of the Airshed Simulation Program output files containing predicted
concentration values must also be input. The concentration values can be
instantaneous (INSTANT) or averaged over a time interval (AVERAGE); the
output intervals for both files are specified in the SIMCONTROL file. The
display program recognizes the file type from the header record, and formats
the output accordingly.
If a comparison run is to be made (an option not yet fully implemented),
a second concentration file must also be input. This file could contain con-
centration fields gridded from observed data using the AIRQUALITY data prepar-
ation program, or it could contain the results from another airshed simulation
run.
XI-2
-------
DUUNDARY
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Output
Comparison
Output*
Error
Messages
* This option is not yet available.
Figure XI-1. Information Flow Diagram for
the Display Program
XI-3
-------
All input files must contain the same segment structure; that is, all
must be either unsegmented or segmented according to the same segment layout.
2. Card Input
The display program requires the following data to be input on cards:
> Output display options
> Names of species to be examined
> Vertical level to be considered
> Print controls
> Measurement station and landmark names and locations
> Display units conversion factors
> User comments to appear on output.
The exact structure of each data card is shown in Table XI-1; Exhibit XI-1
is a sample input deck. Consistent with assumptions used in both the data
preparation and simulation programs, the following conventions are generally
followed in specifying data fields on each card:
> Integer input is in 10-character fields, up to six per card.
> Real number input is floating point in 10-character fields,
up to six per card.
> Alphanumeric input is read and stored as one character per
machine word.
XI-4
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USER COMMENT
ST. LOUIS REGION
Exhibit XI-1. Sample Input for the Display Program
XI-10
-------
C. OUTPUT PRODUCED BY THE DISPLAY PROGRAM
The display program first prints a header page, including the alpha-
numeric region description supplied in the input deck, the dimensions of
the simulated area of the grid, the input user comment, and the run iden-
tifier from the simulation run that produced the concentration predictions.
A sample of the display program header page is shown in Exhibit XI-2.
The display program, operating in prediction mode, currently produces
two types of output for each time interval on the input concentration file.
> Vertical concentration profiles. At each station location
input, the concentrations at each vertical level are printed
for each designated species. The heights of the diffusion
break (mixing depth) and top of the region are also printed
at each station. An example of vertical profile output is
shown in Exhibit XI-3.
> Ambient concentration-maps. Maps are printed of concentra-
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at the vertical level designated by the user. Printout is
confined to those hours and species designated by the user.
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time. Station sites and landmarks are also printed on each
concentration map. An example of the concentration maps is
shown in Exhibit XI-4.
Operating in comparison mode, the display program would calculate re-
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on the "comparison" file from the corresponding field on the primary concentra-
tion file. Among the statistics calculated for these residuals would be the
average value, standard deviation, and correlation coefficient. Calculation of
other statistics could be readily incorporated into the program. These sta-
tistics would be calculated for each designated species at each print time.
Maps of residuals could also be generated for each desired species at each
specified print time.
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REFERENCES
Anderson, G. E., S. R. Hayes, M. J. Hillyer, J. P. Killus, and P. V.
Mundkur. 1977. "Air Quality in the Denver Metropolitan Region:
1974-2000." Systems Applications, Inc., San Rafael, CA (EPA-908/1-
77-002).
Briggs, 6. A. 1975. Plume rise predictions. In Lectures on Air
Pollution and Environmental Impact Analyses. D. A. Haugen, ed.,
American Meteorological Society, Boston, Massachusetts.
Builtjes, P.J.H., K. D. van den Hout, and S. D. Reynolds. 1982.
"Evaluation of the Performance of a Photochemical Dispersion Model in
Practical Applications." Presented at the 13th International
Technical Meeting on Air Pollution Modeling and Its Applications, 14-
17 September 1982, lie des Embiez, France.
Deardorff, J. W. 1972. Numerical investigation of neutral and unstable
planetary boundary layers. J. Atmos. SciA, 32:1794-1807.
Haney, J. L, T. W. Tesche, and 0. P. Killus. 1983. "Application of tne
Systems Applications Airshed Model to the Philadelphia Metropolitan
Area: 19 July 1979 Ozone Episode." Systems Applications, Inc., San
Rafael, CA (SYSAPP-83/057).
Hayes, S. R. 1978. "Performance Measures and Standards for Air Quality
Dispersion Models." Systems Applications, Inc., San Rafael, CA
(Publication 78-93).
8«t033 R-l
-------
Hillyer, M. J., S. D. Reynolds, and P. M. Roth. 1979. "Procedures for
Evaluating the Performance of Air Quality Simulation Models."
Systems Applications, Inc., CA (Publication 79-25R).
Jerskey, T. N., and J. H. Seinfeld. 1976. "Continued Research in
Mesoscale Air Pollution Simulation Modeling--Volume IV: Examination
of the Feasibility of Modeling Photochemical Aerosol Dynamics."
Systems Applications, Inc., San Rafael, CA (EPA-600/4-76-016d).
Oerskey, T. N., J. H. Seinfeld, F. Gelbard, and L. E. Reid. 1976.
"Continued Research in Mesoscale Air Pollution Simulation Modeliny--
Volume VII: Mathematical Modeling of Urban Aeosol Dynamics."
Systems Applications, Inc., San Rafael, CA (Publication 76-144).
Killus, J. P., J. P. Meyer, D. R. Durran, G. E. Anderson, T. N. Jerskey,
G. Z. Whitten, and S. D. Reynolds. 1977. "Continued Research in
Mesoscale Air Pollution Simulation Modeling—Volume V: Refinements
in Numerical Analysis, Transport, Chemistry, and Pollutant
Removal." Systems Applications, Inc., San Rafael, CA (Publication
77-142).
Lamb, R. G. 1976. "Continued Research In Mesoscale Air Pollution
Simulation Model ing--Volume II: Modeling of Miscroscale
Phenomena." Systems Applications, Inc., San Rafael, CA (EPA-6UO/4-
76-061C).
Lamb, R. G., W. H. Chen, and J. H. Seinfeld. 1975. Numerico-empirical
analyses of atmospheric diffusion theories. J. Atmos. Sci., 32:1794-
1807.
Lamb, R. G., W. R. Shu, D. R. Durran, J. H. Seinfeld, and L. E. Reid.
1977. "Continued Research In Mesoscale Air Pollution Simulation
Modelings-Volume VI: Further Studies in the Modeling of Microscale
Phenomena." Systems Applications, Inc., San Rafael, CA (Publication
77-143).
R-2
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Liu, M. K., T. N. Jerskey, J. P. Meyer, d. Ames, and G. W. Lundberg.
1977. "Application of a Methodology for the Design of a Carbon
Monoxide Monitoring Network at Las Vegas." Systems Applications,
Inc., San Rafael, CA (SAI 77-16; EPA-600/4-78-053).
Liu, M. K., and J. H. Seinfeld. 1975. On the validity of grid and
trajectory models of urban air pollution. Atmos. Environ., 9:555-
574.
Liu, M. K., D. C. Whitney, S.D. Reynolds, and P. M. Roth. 1973. "Further
Development and Evaluation of a Simulation Model for Estimating
Ground Level Concentrations of Photochemical Pollutants—Volume
III: Automation of Meteorological and Air Quality Data for the SAI
Urban Airshed Model." Systems Applications, Inc., San Rafael, CA
(SAI 73-32).
Liu, M. K., D. C. Whitney, and P. M. Roth. 1976b. Effects of atmospheric
parameters on the concentration of photochemical pollutants. J.
Appl. Meteorol.. 15:829-835.
Liu, M. K, D. C. Whitney, J. H. Seinfeld, and P. M. Roth. 1976a.
"Continued Research in Mesoscale Air Pollution Simulation Modeling--
Volume I: Assessment of Prior Model Evaluation Studies and Analysis
of Model Validity and Sensitivity." Systems Applications, Inc., San
Rafael, CA. (SAI 75-23; EPA-600/4-76-016a).
Reynolds, S. D. 1977. "The Systems Applications, Incorporated Urban
Airshed Model: An Overview of Recent Developmental Work."
International Conference on Photochemical Oxidant Pollution and Its
Control, Systems Applications, Inc., San Rafael, CA (EPA-600/3-77-
OOlb).
81*033 R-3
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Reynolds, S, D., J. Ames, T. A. Hecht, J. P. Meyer, D. C. Whitney, and M.
A. Yocke. 1976. "Continued Research in Mesoscale Air Pollution
Simulation Modeling—Volume II: Refinements in the Treatments of
Chemistry, Meterorology, and Numerical Integration Procedures."
Systems Applications, Inc., San Rafael, CA (SAI 75-24R; EPA-600/4-76-
016b).
Reynolds, S. D., J. Ames, 6. W. Lundberg, and P. V. Munkur. 1978.
"Application of the SAI Airshed Model to the Evaluation of
Alternative Population Growth Forecasts for the South Coast Air
Basin." Systems Applications, Inc., San Rafael, CA (Publication 78-
124).
Reynolds, S. D., H. Hogo, W. R. Oliver, and L. E. Reid. 1982.
"Application of the SAI Airshed Model to the Tulsa Metropolitan
Area. Systems Applications, Inc., San Rafael, CA (SYSAPP-82/004).
Reynolds, S. D., M. K. Liu, T. A. Hecht, P. M. Roth, and J. H. Seinfeld.
1973a. "Further Development and Validation of a Simulation Model for
Estimating Ground Level Concentrations of Photochemical
Pollutants." Systems Applications, Inc., San Rafael, CA (Publication
73-19).
Reynolds, S. D., M. K. Liu, T. A. Hecht, P. M. Roth, and J. H. Seinfeld.
1974. Mathematical modeling of photochemical air pollution--!!!.
Evaluation of the model. Atmos. Environ., 8:563-596.
Reynolds, S. D., L. Reid, M. Hi!Iyer, J. P. Killus, T. W. Tesche, R. I.
Pollack, G. E. Anderson, and J. Ames. 1979. "Photochemical Modeling
of Transportation Control Strategies—Volume I. Model Development,
Performance Evaluation, and Strategy Assessment." Systems
Applications, Inc., San Rafael, CA (Publication 79-37R).
8U033 R-4
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Reynolds, S. D., P. M. Roth, and J. H. Seinfeld. 1973b. Mathematical
modeling of photochemical air pollution—I. Formulation of the
model. Atmos. Environ., 7:1033-1061.
Reynolds, S. D., and J. H. Seinfeld. 1975. Interim evaluation of
strategies for meeting ambient air quality standards for
photochemical oxidant. Environ. Sci. Technol., 9:433-447.
Roth, P. M., S. D. Reynolds, P.J.W. Roberts, J. H. Seinfeld,, T. A. Hecht,
and C. L. Nelson. 1971. "Development of A Simulation Model for
Estimating Ground Level Concentrations of Photochemical
Pollutants." Systems Applications, Inc., San Rafael, CA.
Roth, P. M., S. D. Reynolds, T.W. Tesche,, P. D. Gutfreund, and C.
Seigneur. 1984. An appraisal of emissions control requirements in
the California South Coast Air Basin. Environ. Int., 9:549-571.
Roth, P. M., P.J.W. Roberts, M. K. Liu, S. D. Reynolds, and J. H.
Seinfeld. 1974. Mathematical modeling of photochemical air
pollution—II. A model and inventory of pollutant emissions. Atmos.
Environ., 8:97-130.
Seigneur, C. S., T. W. Tesche, D. A. Stewart, M. K. Liu, P. M. Roth, and
W. R. Oliver. 1983. Effect of Power Plant Emissions of MOX on Uzone
Levels in Three Different Environments." Systems Applications, Inc.,
San Rafael, CA (SYSAPP-83/023).
Souten, D. R., T. W. Tesche, and W. R. Oliver. 1981. "Use of the Airshed
Grid Model to Evaluate the Air Quality Impacts of Alternative Air
Pollution Control Policies on the South Coast Air Basin." Systems
Applications, Inc., San Rafael, CA (SYSAPP-80/220).
8"t033
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Stern, R., and B. Schere. 1982. "Simulation of a Photochemical Smog
Episode in the Rhine-Ruhr Area with a Three-Dimensional Grid
Model." Presented at the 13th International Technical Meeting on Air
Pollution and Its Application, 14-17 September 1982, He des Embiez,
France.
Tesche, T. W., and C. S. Burton. 1978. "Simulated Impact of Alternative
Emissions Controls Strategies on Photochemical Oxidants in Los
Angeles." Systems Applications, Inc., San Rafael, CA (Publication
78-22R).
Tesche, T. W., W. R. Oliver, and J. L. Haney. 1982. "Photochemical
Modeling of the SCE Ivanpah Generating Station." Systems
Applications, Inc., San Rafael, CA (SYSAPP-82/212).
Tesche, T. W., W. R. Oliver, H. Hogo, P. Saxena, and J. L. Haney.
1983a. "Assessment of NOX Emission Control Requirements in the
California South Coast Air Basin, Volume IV, Appendix A: Performance
Evaluation of the Systems Applications Airshed Model for the 26-27
June 1974 03 Episode in the South Coast Air Basin." Systems
Applications, Inc., San Rafael, CA (SYSAPP-83/037).
Tesche T. W., W. R. Oliver, H. Hogo, P. Saxena, and J. L. Haney. 1983b.
"Assessment of NOX Emission Control Requirements in the California
South Coast Air Basin, Volume IV, Appendix B: Performance Evaluation
of the Systems Applications Airshed Model for the 7-8 November 1978
N02 Episode in the South Coast Air Basin." San Rafael, CA (SYSAPP-
83/038).
Tesche, T. W., C. Seigneur, L. E. Reid, P. M. Roth, W, R. Oliver, and J.
C. Cassmassi. 1981. "Sensitivity of Complex Photochemical Model
Estimates to Detail in Input Information." System Applications, Inc.
San Rafael, CA (SAI 81-5).
8«*033 R-6
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Whitten, 6. Z., and H. Hogo, 1977. "Mathematical Modeling of Simulated
Photochemical Smog." Systems Applications, Inc., San Rafael, CA
(EPA-600/3-77-001).
*
Whitten, 6. Z., H. Hogo, and J. P. Killus. 1980. The Carbon-Bond
Mechanism: A condensed kinetic mechanism for photochemical smog.
Environ. Sci. Technol., 14:690-700.
84033 R-7
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TECHNICAL REPORT DATA
(Please read Instructions on the reverse before completing)
1. REPORT NO.
2.
3. RECIPIENT'S ACCESSION NO.
4. TITLE AND SUBTITLE
SAI AIRSHED MODEL OPERATIONS MANUALS
Volume I — User's Manual
5. REPORT DATE
6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
J. Ames, T.C. Myers, L.E. Reid, D.C. Whitney,
S.H. Golding, S.R. Hayes, S.D. Reynolds
8. PERFORMING ORGANIZATION REPORT NO.
EM78-89R2
9. PERFORMING ORGANIZATION NAME AND AOORESS
Systems Applications, Inc.
101 Lucas Valley Road
San Rafael, CA 94903
10. PROGRAM ELEMENT NO.
CDWA1A/01-5006 (FY-85)
11. CONTRACT/GRANT NO.
Contract No. 68-02-2429
12. SPONSORING AGENCY NAME AND ADDRESS
Atmospheric Sciences Research Laboratory -- RTP, NC
Office of Research and Development
U.S. Environmental Protection Agency
Research Triangle Park, North Carolina 27711
13. TYPE OF REPORT AND PERIOD COVERED
(8/76 - 9/79)
14. SPONSORING AGENCY CODE
EPA/600/09
15. SUPPLEMENTARY NOTES
16. ABSTRACT
This report presents a general view of the Systems Applications, Inc. (SAI)
Airshed Model as well as detailed operating instructions for the user. Included
are discussions of all the files needed to run the model, the data preparation
programs that produce each file, the input formats and data preparation methods,
sampl es of input and output, and information flow diagrams that illustrate the
job stream control on any computer. Chapter II presents a technical summary of
the SAI Airshed Model; Chapter III contains an overview of the model as a system
of computer programs, outlining the five main function's that must be performed
by users and programs together. Chapter IV discusses some of the concepts and
terms basic to an understanding of the system, followed in Chapter V by descrip-
tions of the job control notations that will be used throughout this manual.
Chapters VI through XI examine in detail the five main functions of the system,
providing input and output definitions and examples, and job control diagrams
for each program that must be exercised.
17.
KEY WORDS AND DOCUMENT ANALYSIS
DESCRIPTORS
b.lDENTIFIERS/OPEN ENDED TERMS C. COSATI Field/Group
18. DISTRIBUTION STATEMENT
19. SECURITY CLASS (This Report>
UNCLASSIFIED
21. NO. OF PAGES
RELEASE TO PUBLIC
20. SECURITY CLASS/Tins page,
1ITY CLASS (Tins pag
UNCLASSIFIE6
22. PRICE
EPA Form 2220-1 (R«v. 4-77) PREVIOUS EDITION is OBSOLETE
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