United States
Environmental
Protection
Agency
Office of Air Quality
Planning and Standards
Research Triangle Park, NC 27711
EPA-450/4-90-007B
JUNE 1990
AIR
SEPA
USER'S GUIDE FOR THE
URBAN AIRSHED MODEL
Volume II: User's Manual for the
UAM (CB-IV) Modeling System
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Preface
This user's guide for the Urban Airshed Model (UAM) is divided into five voiumes as
follows:
Volume I-User's Manual for UAM(CB-IV)
Volume II— User's Manual for the UAM(CB-IV) Modeling System (Preprocessors)
Volume III—User's Manual for the Diagnostic Wind Model
Volume IV—User's Manual for the Emissions Preprocessor System
Volume V—Description and Operation or the ROM-UAM Interface Program
System
Volume I provides historical background on the model and describes in general the
scientific basis for the model. It describes the structure of the required unformatted
(binary) files that are used directly as input to UAM. This volume also presents the
formats of the output files and information on how to run an actual UAM
simulation. For those user's that already possess a UAM modeling data base or have
prepared inputs without the use of the standard UAM preprocessors, this volume
should serve as a self-sufficient guide to running the model.
Volume II describes the file formats and software for each of the standard UAM
preprocessors that are part of the UAM modeling system. The preprocessor input
files are ASCII files that are generated from raw input data (meteorological, air
quality, emissions). The preprocessor input files are then read by individual
preprocessor programs to create the unformatted (binary) files that are read directly
by the UAM. Included in this volume is an example problem that illustrates how
inputs were created from measurement data for an application of the UAM in
Atlanta. The preprocessers available for generating wind fields and emission
inventories for the UAM are described separately in Volumes III and IV, respectively.
Volume III is the user's manual for the Diagnostic Wind Model (DWM). This model is
a stand-alone interpolative wind model that uses surface- and upper-level wind
observations at selected sites within the modeling domain of interest to provide
hourly, gridded, three-dimensional estimates of winds using objective techniques. It
provides one means of formulating wind field inputs to the UAM.
Volume IV describes in detail the Emission Preprocessor System (EPS). This software
package is used to process anthropogenic area and point source emissions for UAM
from countvwide average :otal hydrocarbon, NOV, and carbon monoxide emissions
avaiiaoie :rom naiionai emission .nventories, :ucn as :ne ''-fationai Emissions Data
jvstem or :ne National -Ac:c Precioitation Assessment Program. \n appendix :o "Mis
/omme -aescrines ;ne Blogenic Emissions inventory System vBEIS), wnicn can be used
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to generate gridded, speciated biogenic emissions. Software for merging the
anthropogenic area, mobile, and biogenic emission files into UAM input format is
also described in this volume.
Volume V describes the ROM-UAM interface program system, a softare package that
can be used to generate UAM input files from inputs and outputs provided by the
EPA Regional Oxidant Model (ROM).
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Acknowledgements
Since its initial conception in the early 1970s, many individuals have contributed to
the development of the Urban Airshed Model. This document reflects the latest
methodology and software development and provides a guide for new user's of the
model. Based on the past efforts of the orginal developers of the UAM and the
authors of the original 1978 user's manual, the first four volumes were written by the
following individuals from Systems Applications, Inc.:
Volume I Ralph E. Morris, Thomas C. Myers, Jay L. Haney
Volume II Ralph E. Morris, Thomas C. Myers, Edward L. Carr, Marianne C.
Causiey, Sharon G. Douglas, Jay L. Haney
Volume III Sharon G. Douglas, Robert _C. Kessier, Edward L. Carr
Volume IV Marianne C. Causiey, Julie L. Fieber, Michele Jimenez, LuAnn
Gardner
Volume V, containing the ROM-UAM Interface Program Guide, as well as Appendix D
in Volume IV (Biogenics Emission Inventory System) were written by the following
individuals of Computer Sciences Corporation and EPA's Atmospheric Science
Modeling Division:
Volume V Ruen-Tai Tang, Susan C. Gerry, Joseph S. Newsom, Allan R. Van
Meter, and Richard A. Wayiand (CSC); James M. Godowitch and
KenSchere (EPA)
The U.S. Environmental Protection Agency provided support for the preparation of
this document. We also acknowledge the support of the South Coast Air Quality
Management District for the initial documentation of the UAM (CB-IV). Richard D.
Scheffe, Ned Meyer, Dennis Doll, and Ellen Baldridge of the U.S. EPA's Office of Air
Quality Planning and Standards contributed to this document with their insightful
technical reviews. Henry Hogo and Tom Chico of the South Coast Air Quality
Management District also reviewed the documents and provided their comments.
Others at Systems Applications that have contributed to the continued development
of the UAM in the last few years include Dr. Gary Whitten and Mr. Gary Moore. The
technical editing of this manual was performed by Mr. Howard Beckman. We would
like to acknowledge him for his excellent work in reviewing, editing, and clarifying
the text of this manual for easier readability. Finally, we would like to acknowledge
Rita Beacock, Jo Ann Moennighoff, and Cristi-Ann Griggs for their work in producing
:he document.
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Contents
Preface i
Acknowledgements ill
•
List of Figures ix
List of Tables xiii
List of Exhibits xvii
1 INTRODUCTION: USE OF THE INPUT DATA PREPROCESSORS 1
i.l Preprocessor Utility Subroutine Libraries 2
1.2 Preprocessor Memory Requirements 2
2 OVERVIEW OF INPUT PREPARATION PROCEDURES 3
2.1 Preparation of UAM Input Files 3
2.1.1 Control Data Files 6
2.1.2 Meteorological Data Files 6
2.1.3 Initial and Boundary Condition Files 3
2.1.4 Emissions Data Files 9
2.1.5 Input File Preparation Order 10
3 DEFINITION OF THE EXAMPLE APPLICATION 11
3.1 Source of Meteorological Data and Episode
Characterization 11
3.2 Modeling Domain Definition 15
4 OVERVIEW OF UAM STANDARDIZED PREPROCESSORS 17
4.1 Description of Packet Structure 19
4.1.1 Rules for Input Formats 19
4.1.2 The Reserved Word 'ALL1 20
4.1.3 Persistence of Data 21
Q n n r\ a 9
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4.1.4 Units of Measure , 22
4.1.5 Preparation Output Variables: Variables of UAM
Input Files 22
4.1.6 Methods Calculating Ground-Level Values of
Each Variable 23
4.1.7 Methods for Setting Initial and Boundary
Condition Concentrations Aloft 30
4.2 Packet Rules and Formats 37
4.2.1 CONTROL Packet Rules 38
4.2.2 REGION Packet Rules 47
4.2.3 UNITS Packet Rules '. 52
4.2.4 STATIONS Packet Rules • 60
4.2.5 POINT SOURCES Packet Rules 63
4.2.6 BOUNDARIES Packet Rules 67
4.2.7 TIME INTERVAL Packet Rules 71
4.2.3 SUBREGION Packet Rules 74
4.2.9 METHOD Packet Rules 73
4.2.10 VERTICAL METHOD Packet Rules 32
4.2.11 CONSTANTS Packet Rules 86
4.2.12 GRID VALUES Packet Rules 39
4.2.13 STATION READINGS Packet Rules 92
4.2.14 EMISSIONS' VALUES Packet Rules 95
4.2.15 EMISSIONS FACTORS Packet Rules 98
4.2.16 BOUNDARY READINGS Packet Rules 101
4.2.17 SCALARS Packet Rules 104
4.2.18 VERTICAL PROFILES Packet Rules 106
5 CONTROL DATA FILES 109
5.1 The Chemistry Parameters File (CHEMPARAM) 109
5.1.1 Chemistry Preprocessor (CPREP) 109
5.1.2 CPREP Input Format ill
5.1.3 CPREP Output 121
5.2 The Simulation Control File (SIMCONTROL) 133
5.2.1 Simulation Control Processor (SPREP) 133
5.2.2 SPREP Input Format 133
5.2.3 SPREP Output 145
6 METEOROLOGICAL DATA FILES 147
6.1 Diffusion Break File (DIFFBREAK) 147
6.1.1 Calculation of Daily Maximum and Minimum Mixing
Height (MIXHT) 148
6.1.2 Calculation of Diurnal Variation of Mixing
Heights (RAMMET) 151
6.1.3 Spatial Interpolation of Mixing Heights (DFSNBK) 174
90008 2"+
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6.2 Region Top File (REGIONTOP) 197
6.2.1 REGIONTOP Preprocessor (REGNTP) 197
6.2.2 REGNTP Input Format 199
6.2.3 REGNTP Output 205
6.3 Meteorological Scalars File (METSCALARS) 217
6.3.1 Surface Meteorological Parameters 217
6.3.2 Solar Intensity 218
6.3.3 Upper-Air Temperature Parameters 221
6.3.4 METSCALARS Preprocessor (METSCL) 234
6.4 Surface Temperature File (TEMPERATUR) 253
6.4.1 TEMPERATUR Preprocessor (TMPRTR) 253
6.4.2 TMPRTR Input Formats 253
6.4.3 TMPRTR Output 260
6.5 Wind Fields File (WIND) 273
6.5.1 Overview of :he Diagnostic Wind Model 273
6.5.2 Mapping of Modeled Wind Fields to UAM
Layers (UAMWND) 275
6.5.3 UAMWND Input Format 279
6.5.4 UAMWND Output 285
7 INITIAL AND BOUNDARY CONDITION FILES 287
7.1 Land Cover Characteristics File (TERRAIN) 287
7.1.1 TERRAIN Preprocessor (CRETER) 287
7.1.2 CRETER Input Format 290
7.1.3 CRETER Output 295
7.2 Initial Concentrations File (AIRQUALITY) 299
7.2.1 AIRQUALITY Preprocessor (AIRQUL) 299
7.2.2 AIRQUL Input Format 299
7.4.1 AIRQUL Output 311
7.3 Lateral Boundary Conditions File (BOUNDARY) 325
7.3.1 BOUNDARY Preprocessor (BNDARY) 325
7.3.2 BNDARY Input Format 325
7.3.3 BNDARY Output 336
7.4 Aloft Boundary Conditions File (TCPCONC) 357
7.4.1 TOPCONC Preprocessor (TPCONC) 357
7.4.2 TPCONC Input Format 357
7.4.3 TPCONC Output 367
8 EMISSION INPUT FILES 373
8.1 Overview of the Emissions Preprocessing System 373
1.2 Summary of ;ne Procedures for Creating Emissions
r lies :"or L'AM Acoucations .,...,.,..., J7'-i
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8.3 Elevated Emission Input File (PTSOURCE) ...................... 377
8.3.1 PTSOURCE Preprocessor (PTSRCE) ...................... 377
8.3.2 PTSRCE Input Format .................................. 379
8.3.3 PTSRCE Output ....................................... 390
9 RUNNING THE EXAMPLE PROBLEM ............................... 395
9.1 Example of Job Control ...................................... 395
9.1.1 IBM System ........................................... 395
9.1.2 UNIX-Based System .................................... WO
9.2 UAM Output for the Example Problem .........................
10 POSTPROCESSING ............................................... 437
10.1 Display Map Postprocessor (DISPLAY) ......................... 437
lO.l.i DISPLAY Input and Output Formats ..................... 437
10.1.2 DISPLAY Example Input and Output ..................... 443
1 0.2 Graphical Presentation of Results ............................. 443
10.2.1 Isopleth Plots ........................................ 458
10.2.2 Time Series Plots ..................................... 458
10.2.3 Scatter Plots and Statistical Measures ................... 465
Acronyms [[[ 475
Glossary [[[ 477
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Figures
2-1 • UAM simulation program with input and output files 4
3-1 UAM modeling domain for Atlanta 14
4-1 Definition of boundary line segments 68
5-1 Information flow for creating the CHEMPARAM file 110
5-2 Information flow for creating the SIMCONTROL file 134
6-1 Information flow for creating the DIFFBREAK file 149
4
6-2 Information flow for RAMMET-X 155
6-3 RAMMET-X program structure 157
6-4 Schematic illustration of the original RAMMET interpolation
procedures 159
6-5 Schematic illustration of RAMMET-X interpolation procedures 163
6-6 Information flow for creating the DIFFBREAK file 181
6-7 Input file structure for preparing the DIFFBREAK file 184
6-8 Information flow for creating the REGIONTOP file 198
6-9 Input file structure for preparing the REGIONTOP file 200
6-10 Information flow for the SUNFUNC program 219
6-11 Idealized temperature profiles 230
6-12 Information flow for creating the METSCALARS file 235
6-13 Input file structure for preparing the METSCALARS file 238
9000821* lx
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6-14 Information flow for creating the TEMPERATUR file 254
6-15 Input file structure for preparing the TEMPERATUR file 257
6-16 Information flow for the Diagnostic Wind Model 274
6-17 Information flow for the UAMWND conversion program 283
7-1 Information flow for creating the TERRAIN file 288
7-2 Information flow for creating the AIRQUAUTY file 300
7-3 Input file structure for preparing the AIRQUALITY file 303
7-4 Information flow for creating the BOUNDARY file 326
7-5 Input file structure for preparing the BOUNDARY file 330
7-6 Information flow for creating the TOPCONC file 358
7-7 Inpvlt file structure for preparing the TOPCONC file 361
8-1 Overview of the UAM emissions preprocessor system 375
8-2 Information ilow for creating the PTSCURCE file 378
3-3 Input file structure for preparing the PTSOURCE file 382
10-1 Information flow for the DISPLAY program 438
10-2 Isopleth plot of predicted daily maximum ozone concentrations
on June 4, 1984 for the Atlanta example problem 459
10-3 Time series of predicted and observed hourly ozone
concentrations on June 4, 1984 using point-point comparisons 460
10-4 Time series of predicted and observed hourly ozone
concentrations on June 4, 1984 using a nearest-neighbor
analysis with a one-cell search 466
10-5 Time series of predicted and observed hourly ozone
concentrations on June 4, 1984 using a nearest-neighbor
analysis with a two-cell search 467
10-6 Time series of a range of predicted and the observed hourly
ozone concentrations on June 4, 1984 using a one-cell search 468
30008
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10-7 Time series of a range of predicted and the observed hourly
ozone concentrations on 3une 4, 1984 using a two-cell search
10-8 Scatter plot of predicted and observed hourly ozone
concentrations on 3une 4, 1984 for the Atlanta test problem
469
470
) o o o 6
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Tables
3-1 Surface meteorological observation sites for the Atlanta
modeling study 12
3-2 Upper-air observation sites for the Atlanta modeling study 13
3-3 Ozone monitor sites for the Atlanta modeling study 13
4-1 Packets used by the Urban Airshed Model data preparation
programs IS
4-2 Standard entries for lines 4 through 3 of the CONTROL packet 39
4-3 Format of the CONTROL packet 40
4-4 Format of the REGION packet 48
4-5 Default units for standard variables used in the
Urban Airshed Model 54
4-6 Standard unit conversions 55
4-7 Species names and molecular weights used for unit
conversion 57
4-8 Format of the UNITS packet 58
4-9 Format of the STATIONS packet 61
4-10 Format of the POINT SOURCES packet 64
4-11 Format of the BOUNDARIES packet 69
4-12 Format of the TIME INTERVAL packet 72
4-13 Format of the SUBREGION packet 76
4-14 Format of the METHOD packet 79
4-15 'Format of :he /ER7ICAL METHOD cacxet 52
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4-16 Format of the CONSTANTS packet 37
4-17 Format of the GRID VALUES packet 90
4-18 Format of the STATION READINGS packet 93
4-19 Format of the EMISSIONS VALUES packet 96
4-20 Format of the EMISSIONS FACTORS packet 99
4-21 Format of the BOUNDARY READINGS packet 102
4-22 Format of the SCALARS packet 105
4-23 Format of the VERTICAL PROFILES packet 107
5-1 Format of the CONTROL packet for the CHEMPARAM file 112
5-2 Format of the SPECIES packet for the CHEMPARAM file 114
5-3 Reactive species names in the CB-IV chemical mechanism
that are input in the SPECIES packet 117
5-4 Format of the REACTIONS packet for the CHEMPARAM file i 19
5-5 Format of the COEFFICIENTS packet for the CHEMPARAM file 122
5-6 Format of the CONTROL packet for the SIMCONTROL file 135
5-7 Format of the SIMULATION packet for the SIMCONTROL file 136
6-1 Format of the MIXHT preprocessor 152
6-2 Hourly Pasquill-Gifford stability class transitions 158
6-3 Surface input variables used by the RAMMET-X preprocessor 165
6-4 Mixing height input variables used by the RAMMET-X
preprocessor 166
6-5 NAMELIST input variables used by the RAMMET-X preprocessor 168
6-6 Input formats for the surface and mixing height data files 169
6-7 Entries for the CONTROL packet for the DIFFBREAK file 185
6-3 Entries for the CONTROL oacket for the REGICNTCP file 201
xiv
90008 2i»
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6-9 Exposure class (CE) classification based on cloud cover and
solar zenith angle 220
6-10 Input format for the SUNFUNC data preprocessor 222
6-U Format of the ME7SCL control file 236
6-12 Entries for the CONTROL packet for the METSCALARS file 239
6-13 Format of the TMPRTR control file 255
6-14 Entries for the CONTROL packet for the TEMPERATUR file 258
6-15 Relationship between Pasquill-Gifford stability class and
a and b coefficients 276
6-16 Relationship between Pasquiil-Gifford stability class and a 277
6-17 Scale heights for a roughness length of 0.2 m 27S
6-18 UAMWND input controlling parameters 280
6-19 UAMWND parameter statements 284
7-1 Surface roughness and deposition factors used by CRETER 289
7-2 Format of one Input file for the CRETER preprocessor 291
7-3 Format of the AIRQUL control file 301
7-4 Entries for the CONTROL packet for the AIRQUALITY file 305
7-5 Format of the BNDARY control file 327
7-6 Entries for the CONTROL packet for the BOUNDARY file 331
7-7 Format of the TPCONC control file 359
7-8 Entries for the CONTROL packet for the TOPCONC file 362
8-1 Format of the PTSRCE control file 380
8-2 Entries for the CONTROL packet for the PTSOURCE file 383
xv
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9-1 UAM control file format '-. 403
10-1 DISPLAY control file structure 439
10-2 Format of station prediction file 444
90008 2t
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Exhibits
All exhibits in the guide are examples of program input or output
files from an application of the UAM to Atlanta.
5-1 Input to the CPREP program 123
5-2 Output from the CRPREP program 126
5-3 Input to SPREP 144
5-4 Output from SPREP 146
6-1 Input to MIXHT program 153
6-2 Output from MIXHT program 154
6-3 "mixht.nml", "mixht.dat", "surface.dat", and "metform" files
input to the RAMMET-X program 170
6-4 Output file "meteor.out" from the RAMMET-X program, IOPT = 0 175
6-5 Output file "meteor.out" from the RAMMET-X program, IOPT =1 177
6-6 Output file "meteor.out" from the RAMMET-X program, IOPT = 2 179
6-7 Input file for the DFSNBK program 188
6-8 Output from the DFSNBK program 192
6-9 Input from the REGNTP program 204
6-10 Output from the REGNTP program 206
6-11 Input to SUNFUNC 223
6-12 Radiation data for SUNFUNC 224
6-13 Output from SUNFUNC 227
50008 :
ICVli
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6-14 Input to MET5CL 241
6-15 Output from METSCL 250
6-16 Input to TMPRTR 261
6-17 Output from TMPRTR 269
6-18 Input parameter file for the Diagnostic Wind Model 282
7-1 Input to CRETER 294
7-2 Land use file for CRETER 296
7-3 Execution of CRETER on a UNIX-based system 297
7-4 Input to AIRQUAL 308
7-5 Output from AIRQUAL 312
7-6 Input to BNDARY 334
7-7 Output from BNDARY 337
7-8 Input to TPCCNC 365
7-9 Output from TPCONC 368
8-1 Input file to PTSRCE 387
8-2 Output from PTSRCE 391
9-1 IBM mainframe job control file for the UAM example problem 396
9-2 Job file for the UAM example problem on a UNIX-based system 401
9-3 "Standard output" from the UAM example problem 405
9-4 Output from the UAM (written to unit 3) 409
10-1 Input to the DISPLAY program 445
10-2 Diagnostic output from the DISPLAY program 446
10-3 Concentration maps made by DISPLY 447
90008 2<+
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1 INTRODUCTION: USE OF THE INPUT DATA PREPROCESSORS
The UAM preprocessors that are supplied with the UAM(CB-IV) modeling system
software and described in this volume represent only one methodology for preparing
UAM input files. For example, the UAM modeling system uses a diagnostic wind
model for generating the UAM wind field inputs. A diagnostic wind model cannot
produce flow features that may be important in some regions (e.g., land-sea breezes,
urban heat island effects, rigorous treatment of mountain-valley wind systems)
unless the features are well represented by observations.
Since the release of the first versions of the UAM in 1979-1980, there have been
various improvements not only in the UAM itself but in the procedures and software
used to develop meteorological and air quality UAM inputs. The 1979-1980 UAM
preprocessors were developed unaer the assumption that extensive data were avail-
able for interpolation to provide the gridded fields of input data required by the
UAM. More recently, procedures for generating fields of meteorological inputs from
limited data have been developed for UAM applications (Morris et al., 1988, 1989,
1990a,b,c,d; Morris, Myers, and Carr, 1990). We illustrate the UAM preprocessors
vvith an example application of UAM to Atlanta using these procedures for preparing
model inputs.
Several of the UAM preprocessors use a common set of utility subroutines that can
be linked to the preprocessor through the use of libraries when the code is compiled
on the computer. In addition, memory allocation statements in the preprocessors
may need to be modified if an extremely large region is being modeled.
j o o o a : s
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1.1 PREPROCESSOR UTILITY SUBROUTINE LIBRARIES
Since several of the UAM preprocessors have the same input formats and output file
structure, many "read" and "write" modules are used by more than one preprocessing
program. In addition, interpolation and gridding routines that can create more than
one type of data file are accessed by more than one preprocessor. The source code
for these routines is collected into two files. FILUTIL contains source code
primarily for reading and writing records on UAM data files. UTILITY contains
source code for the interpolation and gridding methods. Ideally, these routines
should be compiled and processed into binary object modules and linked with each
program to create the run file. Alternatively, both sets of object codes can be
loaded in their entirety with each preprocessing program, but this will increase the
size of the run files considerably. All preprocessors except CRETER use routines
from FILUTIL and UTILITY.
1.2 PREPROCESSOR MEMORY REQUIREMENTS
The programs that use the FILUTIL and UTILITY routines automatically allocate
memory for data arrays from a single scratch vector. This makes it easy to increase
the space for data arrays to accommodate a larger modeling region or to decrease
the memory requirement of a program to fit the limitation of a computer system.
The main data array in each program is called JSCRTC, the dimension of which is set
in the main routine of the program. In addition, the variable NSCRTC is set to the
dimension of JSCRTC in a DATA statement. The dimension of JSCRTC and the
initial value of NSCRTC must always be the same. At run time, the preprocessor
programs will allocate memory for all data arrays from JSCRTC as needed for the
specified region size and number of variables. If there is insufficient space in
JSCRTC, the program will issue an error message with an estimate of the additional
space required and stop. In this case the dimension of JSCRTC and value of
NSCRTC must be increased, and the program must be recompiled, reloaded, and then
rerun. If the dimension of JSCRTC cannot be increased because of memory limita-
tions of the computer system being used, the maximum dimension size will have to
be reduced by changing the size of the modeling domain or reducing the number of
variables.
90003 : 5
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2 OVERVIEW OF INPUT PREPARATION PROCEDURES
The UAM input files need to be prepared in a consistent, objective form in which the
ultimate goal is to provide the best representation of emissions, meteorology, air
quality, and other physical aspects of the episode under study. In this chapter we
discuss one such methodology that is supplied as part of the UAM (CB-IV) modeling
system. Although these procedures were originally developed to handle situations
with sparse meteorological and air quality data, they can be used with an intensive
data base also. These procedures were used in the UAM application to Atlanta that
serves as an example in the user's guide.
2.1 PREPARATION OF UAM INPUT FILES
Thirteen input files are required for UAM applications, including files for meteor-
ology, emissions, initial and boundary conditions, chemical reaction rates, and simu-
lation control (Figure 2-1). The input files are described below. (The structure of
the binary input files that are read directly by the UAM are described in Volume I.)
CHEMPARAM contains information about the chemical species to be simulated,
including reaction rate constants, upper and lower bounds, activation energy, and
reference temperature.
SIMCONTROL contains the simulation control information, such as the time of the
simulation, file option information, default information, and information on integra-
tion and chemistry time steps.
DIFFBREAK specifies the daytime mixing height or nighttime inversion height for
each column of cells at the beginning and end of each hour of the simulation.
90008 25
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Meteorology
Initial and Chemical Simulation
Emissions Boundary Conditions Reaction Rates Control
OUTBREAK I
WIND
(TEMPERATUR(
(optional) \
(METSCALARSf
REGIONTOPf i EMISSIONS
( PTSOURCE
(optional)
V
INSTANT*
•
V TERRAIN
(optional)
CHEMPARAM! SIMCONTROI
V
i 1
AVERAGE ( (DEPOSITIONI
\
Execution
Trace
* Can be used as initial condition file to restart model (replaces AERQUAUTY).
FIGURE 2-1. Urban Akshed Model simulation program with input and output files.
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REGIONTOP specifies the height of each column of ceils at the beginning and end of
each hour of the simulation. If this height is greater than the mixing height, the cell
or cells above the mixing height are assumed to be within an inversion.
METSCALARS contains the hourly values of the meteorological parameters that do
not vary spatially. These scalars are the NO2 photolysis rate constant, the concen-
tration of water vapor, the temperature gradient above and below the inversion base,
the atmospheric pressure, and the exposure class.
TEMPERATUR contains the hourly temperature for each surface layer grid cell.
WIND contains the x and y components of the wind velocity for every grid cell for
each hour of the simulation. The maximum wind speed for the entire grid and aver-
age wind speeds at each boundary for each hour are also included in this file.
TERRAIN contains the value of the surface roughness and deposition factor for each
grid cell.
AIRQUALITY defines the initial concentrations of each species for each grid ceil at
the start of the simulation.
BOUNDARY contains information on the modeling region boundaries as well as the
concentration of each species that is used as the boundary condition along each
boundary segment at each vertical level.
TOPCONC defines the concentration of each species for the area above the modeling
region. These concentrations are the boundary conditions for vertical integration.
EMISSIONS specifies the ground-level emissions of NO, NKI^, reactive hydrocarbons
(speciated into seven Carbon-Bond Mechanism categories), and CO for each grid ceil
for each hour of the simulation.
PTSOURCE contains information on point sources (stack height, temperature and
flow rate, the plume rise, the grid cell into which the emissions are emitted) and the
emissions rates for NO, NO-?, reactive hydrocarbons (speciated into seven Carbon-
5ona r/lecr.arusm :ategor:es;, ana CC :'or eacn ooint source for -eacn r.our.
90008 : S
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2.1.1 Control Data Files
CHEMPARAM
The CHEMPARAM file contains the information required by the numerical algor-
ithms used to solve the chemical kinetics mechanism in the UAM(CB-IV), the Car-
bon-Bond Mechanism version IV. The file only needs to be created once for all UAM
simulations. It is created by the preprocessor program CPREP using the
CHEMCB4.INP file as input (see Section 5.1).
SIMCONTROL
The SIMCONTROL file sets the control parameters for each UAM simulation. It is
generally the last file prepared before running the model and it allows the user to
choose the time extent of the simulation, the options for each of the input files, any
default information that may be required in the simulation, and the information of
the integration and chemistry time steps. The SIMCONTROL file also allows the
user to place permanent internal labels on each of the output files for each simula-
tion so that they may be properly and accurately identified when dealing with a num-
ber of simulations, as may occur in SIP development studies. Because of the impor-
tance of internal labels on UAM output files, a unique SIMCONTROL file should be
prepared for each UAM simulation. SIMCONTROL is created by the preprocessor
program SPREP (see Section 5.2).
2.1.2 Meteorological Data Files
DIFFBREAK and REGIONTOP
The preparation of the DIFFBREAK file is a three-step procedure in which surface
meteorological data and data from a representative upper-air sounding are used in a
series of three preprocessor programs: (1) MIXHT, which calculates the maximum
aaiiy mixing heignt ai :he location of eacn surface meteorological ooservanon site
9000826 r
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(Section 6.1.1); (2) RAMMET, which calculates hourly mixing heights at each surface
meteorological site based on the maximum daily mixing height at the site, the height
of the base of the nocturnal inversion from the morning sounding, and the surface
data at the site (Section 6.1.2); and (3) DFSNBK, which spatially interpolates the
mixing heights from each surface meteorological site to form the gridded field
required by the UAM for each hour of the simulation (Section 6.1.3). The
REGIONTOP file is created by the UAM preprocessor REGNTP (see Section 6.2).
For UAM applications performed to date, the region top is usually defined as 50 - 100
meters above the maximum mixing height.
METSCALARS
The METSCALARS file includes several hourly varying but spatially invariant mete-
orological parameters (see Section 6.3). The atmospheric pressure (ATMOSPRESS)
and water vapor concentations (CONCWATER) are defined as the average value of
the hourly observations from ail of the surface meteorological sites.
The NO2 photolysis rate (RADFACTOR) is usually calculated based on the solar
zenith angle for the location (latitude/longitude) and time (hour and day) of interest
using the SUNFUNC program (Secnon 6.3.2). The exposure class (EXPCLASS) is cal-
culated from cloud cover observations and the solar zenith angle, which is also given
in the SUNFUNC program following the procedures given in Section 6.3.2.
The temperature gradients below (TGRADBELOW) and above (TGRADABOVE) the
inversion (mixing height) are estimated from the representative upper-air soundings
and the observed surface temperatures. An interpretation of the upper-air sounding
and surface temperatures must be made to determine the temperature gradient
inputs. This interpretation is especially difficult when using only the twice-daily
routine upper-air data. The need to represent the typically complex vertical struc-
ture of the atmosphere with just two temperature gradients will demand some com-
promises in determining their values.
? 0 0 0 8 : 5
-------
TEMPERATUR
The TEMPERATUR file contains hourly varying fields of surface temperatures.
These are obtained by interpolating the hourly measured surface temperatures to the
modeling grid using the TMPRTR preprocessor. TMPRTR is exercised using a 1/r
interpolation (see Chapter 4). A large radius of influence is specified so that each
grid cell is influenced by all of the surface measurements. The preparation of the
TEMPERATUR file is discussed in Section 6.4.
WIND
The wind fields are one of the most uncertain inputs when only routinely available
data are used. The wind fields are created by exercising the Diagnostic Wind Model
(DWM) to obtain several (10 or more) vertical levels of winds at constant heights
above ground. (See Volume III for a complete description of the DWM.) The winds
are then vertically averaged to the UAM vertical layers and the vertical velocity
through the top of the modeling domain is eliminated using the O'Brien adjustment
scheme (see Section 6.5).
2.1.3 Initial and Boundary Condition Files
TERRAIN
Information in the TERRAIN file is created by analyzing USGS topographical maps or
land-use maps if available. Land-use categories (up to 13) are defined and identified
by an integer. The most dominant land-use category in each grid cell of the model-
ing domain is determined and the appropriate category codes are assigned to each
cell. This two-dimensional array of integers is then processed by the UAM prepro-
cessor CRETER, which assigns to each grid cell a surface roughness and vegetation
factor from the 13 land-use categories and puts this information into the proper for-
mat for the UAM. The preparation of the TERRAIN file is discussed in Section 7.1.
30008 ~ 6
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AIRQUALITY, BOUNDARY, and TOPCONC
The UAM is usually initiated well before the ozone episode of interest to minimize
the effects of initial concentrations, and the domain is selected large enough to
minimize the effects of boundary conditions. Thus initial concentrations
(AIRQUALITY file) and boundary conditions for the lateral boundaries (BOUNDARY
file) and aloft (TOPCONC file) are assumed to be "clean" unless higher concentra-
tions are known or expected. This can be determined through measured air quality
»
data, from knowledge that the area is affected by transported pollutants (e.g., cities
in the northeastern U.S.), or from regional modeling results (see Volume V). The
effects of both anthropogenic and biogenic emissions need to be reflected in the
initial and boundary concentrations. For applications of the UAM (CB-IV) to St.
Louis and Dallas-Fort Worth completed in the EPA-sponsored UAM application for
five U.S. cities (Morris et al., 1990b), the following initial and boundary condition
concentrations were used:
VOC = 25 ppbc (using the Empirical Kinetics Modeling Approach (EKMA)
default speciation) (Morris et ai., 1990b).
ISOP = 0.0001 ppb
NOX = i ppb (3/4 NO2, 1/4 NO)
O3 = 40 ppb
CO = 200 ppb
Similar values were used in the application of the UAM (CB-IV) .to Atlanta; however,
higher ISOP and VOC concentrations were used to represent the large amounts of
biogenic emissions in the region.
The creation of AIRQUALITY, BOUNDARY, AND TOPCONC is described in Sections
7.2 through 7.4.
2.1.4 Emissions Data Files
The detailed procedures for preparing emission inventories for the UAM are
described in Volume IV. Emission inventories for many recent applications of the
i 0 0 0 8 16
-------
UAM were developed from the 1985 NAPAP annual continental U.S. emissions data
base (Zimmerman et al., 1988; Saeger et al., 1989). Several steps are involved in the
development of the low-level area source and point source emission input files
(EMISSIONS and PTSOURCE, respectively). These steps are described briefly in
Chapter 9 in this volume and in more detail in Volume IV.
2.1.5 Input File Preparation Order .
The preparation of some input files may require that other files be used as input to a
particular preprocessor, depending on the file preparation methods used. For exam-
ple, the preparation of the TOPCONC file requires the DIFFBREAK and
REGIONTOP files as input. The files that require other UAM input files to be used
as input are the following:
Other Files Reouired
REGIONTOP
TOPCONC
AIRQUALITY
BOUNDARY
WIND
PTSOURCE
DIFFBREAK
DIFFBREAK, REGIONTOP
DIFFBREAK, REGIONTOP, TOPCONC
DIFFBREAK, REGIONTOP, TOPCONC
DIFFBREAK, REGIONTOP, TEMPERATURE
DIFFBREAK, REGIONTOP, METSCALARS,
TEMPERATURE, and WIND
.'coos : s
10
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3 DEFINITION OF THE EXAMPLE APPLICATION
The example problem used throughout this volume, as well as volumes III and IV, is an
application of the UAM to the Atlanta, Georgia area. The application was carried
out as part of an EPA-sponsored study (Morris et al., 1990a,b). For this study the
only meteorological and air quality data available to develop UAM modeling inputs
were routine data from a very sparse network of monitors.
3.1 SOURCE OF METEOROLOGICAL DATA
AND EPISODE CHARACTERIZATION
On 3-4 June 1984 there were six surface meteorological observation sites operating
in and around the city of Atlanta (Table 3-1). There were no upper-air observation
sites located within the modeling domain. Thus, we made use of upper-air observa-
tions from five sites that surround the modeling domain for generating wind and mix-
ing height inputs (Table 3-2 and Figure 3-1). The closest upper-air site to Atlanta is
Athens, Georgia, approximately 100 km to the east-north-east. Air quality data in
and around Atlanta during June 1984 consisted of three monitoring sites (Table 3-3).
There were no air quality data available near the boundaries of the modeling domain
for use in prescribing boundary conditions.
On 3 and 4 June 1984 a high-pressure system passed over the Atlanta region. The
500 mb height contours at 0700 E5T on 4 June 1984 show the high-pressure ridge
approaching Atlanta. This high-pressure ridge passed through the region during the
evening of the 4th of June; the axis of the surface high-pressure system passed
through the modeling region during the afternoon of the 4th. Daytime low-level
winds «600 m) on 3 June were from the west at 3-6 ms throughout the modeling
region, while winds aloft were in the same direction, but stronger. As the axis of the
high-pressure system moved near the modeling region, a slight easterly component to
30008 i7
II
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TABLE 3-1. Surface meteorological observation sites for the Atlanta
modeling study.
Location UTM (Zone 16)
Site Name
Atlanta Hartsfield
International Airport
Dobbins Naval Air Station .
Fulton County (Charlie
Brown) Airport
Dekalb Peachtree Airport
Conyers Monastery Monitor
South Dekalb Panthersville
Monitor
UTMX
739.580
729.590 -
729.9*17
749.724
772.248
752.780
UTMY
3726.148
3755.498
3740.709
3752.306
3719.869
3730.991
Variables Measured
WS, WD, T, TD, P
WS, WD, T, TD, P
WS, WD, T, TD
WST WD, T, TD
WS, WD
WS, WD, T, TD
10008
-------
TABLE 3-2. Upper-air observation sites for the Atlanta modeling study.
Location
Site Name
Athens, GA
Nashville, TN
Greensboro, NC
Waycross , GA
Centerville-Brent, AL
Lat
35°
36°
36°
31°
32°
57'
15'
5'
15'
54'
Lorn
33°
36°
79°
82°
37°
UTM Coordinates (Zone 16)
j UTMX
19'
34'
57'
24'
15'
339.
538.
1134
937.
475.
644
182
.426
394
341
UTMY
3763.
4012.
4016.
3467.
3640.
429
482-
946
152
638
Distance from
Atlanta (km)
109
199
491
328
275
TABLE 3-3. Ozone monitor sites for the Atlanta modeling study.
Monitor JD
130890002
130970002
131210053
132150008
132470001
Monitor Mame
DeKalb Jr. College (DKLB)
Sweetwater Creek State Park (SWTR)
MLK Marta Station (MLKM)
Columbus Airport (COLO)
Conyers Monastery (CNYR)
UTM
Location (Zone
UTMX
752
719
743
693
772
.78
.28
.10
.15
.25
UTMY
3730.
3736.
3737 .
3799.
3719.
16)
99
10
15
91
87
Years Available
(1984
1984
1
1984
1984
- 1987)
- 1987
987
987
- 1987
- 1987
50008 ;u
-------
86.0
85.5 85.0 84.5 84 0 83.S 83.0 82 5
35.0
34.5 -
34.0 -
33.5 -
330
325
350
34.5
34.0
03.5
33.0
32.5
860 85.5 65.0 84.5 84.0 83.5 83.0 82.5
FIGURE 3-1. UAM modeling domain for Atlanta. Modeling domain consists
of 40 by 40 array of 4 km grid cells with an origin at UTM coordinates
660 km easting, 3665 km northing, zone 16.
;coo8
89104
-------
the wind field developed ( a result of the circulation about the high-pressure sys-
tem). This flow was first seen in the upper levels (> 600 m) on the morning of the
4th, but by mid morning was seen in the surface layer. After the passage of the
high-pressure system, the winds became southwesterly. The weather conditions dur-
ing the modeling period were clear, hot, and humid. Maximum temperatures were in
the upper 80s and dew point in the low 60s.
3.2 MODELING DOMAIN DEFINITION
The modeling domain for this application consists of a 40 by 40 array of 4 km square
grid cells (Figure 3-1). The domain origin is located at UTM coordinates 660 km
easting and 3665 km northing in zone 16 and extends 160 km in the east and north
direction. Five vertical layers were used in the UAM: two below the mixing height
and three above. The region top was based on the maximum mixing height occurring
during the modeling episode.
To accommodate the analysis of the effects of biogenic emissions on urban ozone
formation in Atlanta, a region 75 to 100 km wide upwind of Atlanta is included in the
modeling domain. This allows for a 4- to 12-hour loading of biogenic emissions into
the atmosphere upwind from the outskirts of Atlanta.
d 0 0 0 8 27
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OVERVIEW OF UAM STANDARDIZED PREPROCESSORS
Most of the 13 input data files used by the UAM have the same structure so that a
common set of subroutines can be used to process data into them. The files
CHEMPARAM, SIMCONTROL, DIFFBREAK, REGIONTOP, METSCALARS,
TEMPERATUR, AIRQUALITY, BOUNDARY, TOPCONC, and PTSOURCE may all be
created using standardized preprocessing programs. This section discusses features
common to all of the preprocessors, including the formats used. Special considera-
tions for individual programs are documented in Sections 5 through 8.
In the standardized UAM preprocessors the input data are organized into groups of
records that contain the same type of information. Such groups are called packets
(Table 4-1). In the following sections we first present general rules that apply to the
preparation of ail the packets, and then specific rules and formats for each packet.
The ordering and internal structure of data packets have been designed for con-
sistency of formats, flexibility of use, and ease of interpretation. Each packet
begins with a header line that identifies the packet and ends with a termination line
that reads 'END' or "ENDTIME'.
Of the packets of time-invariant data, the CONTROL and REGION packets are
mandatory, and they are entered first and second, respectively, in the input file. The
CONTROL packet defines input and output options and maximum variable counters
used by the preprocessing program to set internal array dimensions. The REGION
packet defines the location, size, and resolution of the modeling region. The UNITS
packet names user-defined variables and specifies unit conversions; if present, it fol-
lows the REGION packet. The remaining time-invariant packets, STATIONS,
BOUNDARIES, and POINT SOURCES, define fixed locations in the region and are
optional; their use depends on the file being created and the method used.
joooa :o
17
-------
TABLE 4-1. Packets used by the
Urban Airshed Model data prepara-
tion programs.
Time-Invariant Packets
CONTROL
REGION
UNITS
STATIONS
POINT SOURCES
BOUNDARIES
Time-Varying Packets
TIME INTERVAL
SUBREGIONS
METHOD
VERTICAL METHOD
CONSTANTS
GRID VALUES
STATION READINGS
EMISSIONS VALUES
EMISSIONS FACTORS
BOUNDARY READINGS
5CALARS
VERTICAL PROFILES
30008 .Ia
18
-------
The TIME INTERVAL packets appear next. Each TIME INTERVAL packet may con-
tain other time-varying packets to be used during the interval specified (i.e., during
selected hours of the simulation). The TIME INTERVAL packet concludes with an
•ENDTIME1 record. The time intervals used must cover the time span specified in the
CONTROL packet, with no gaps or overlaps. The time-varying packets included
within each TIME INTERVAL packet define the data preparation methods to be used
and include the time-varying data.
Different interpolation methods can be used for different variables in different areas
of the region. The SUBREGION packet defines the areas, and the METHOD packet
defines the method to be used to calculate ground-level values of each variable in
each subregion. The VERTICAL METHOD packet describes the method to be used
for calculating values at upper levels for variables that may vary vertically. For
most model simulations the subregions and methods supplied for the first time inter-
val will be used for the entire duration of the run, although the SUBREGION,
METHOD, and VERTICAL METHOD packets can be changed in subsequent time
intervals. The other time-varying packets define the values for input variables. The
particular packets used depend on the file being created and the methods selected
for processing the input data. After the first TIME INTERVAL packet has defined
the information to be written on the file, the same information will be used in
succeeding time intervals as described in Section 4.1.3.
».I DESCRIPTION OF PACKET STRUCTURE
*.!.! Rules for Input Formats
Each line or record in a packet is divided into two sections: columns 1 to 60 contain
input data; columns 61 to SO are reserved for any other desired information. All
input fields are 10 columns wide, except packet headers and file identifiers, which
can occupy the entire width available for input, i.e., columns 1 to 60.
Integers are input in Format 110 and must be right justified. Floating point variables
are input as F10.0. Alphanumeric information can occupy any of the columns avail-
able for input of that data as long as it is correctly ordered and no extraneous or
-0008 C
10
-------
erroneous symbols are included. Thus, for example, '_C_ON_TROL_f would be
recognized as 'CONTROL1, but 'CNOTROL1 and •CONTROL!1 would not. The 60-
column file identifier is not subject to validation and therefore can contain any
information desired.
*. 1.2 The Reserved Word 'ALL1
The word 'ALL1 is used to specify information globally; therefore, it should not be
used as a name for a specific entity, such as a variable, subregion, station, point
source, or boundary. When placed in an input field usually associated with an alpha-
numeric name, 'ALL' is used to designate that the subsequent information applies to
ail the possible names that could occupy that input field. 'ALL' can generally be used
whenever it makes sense. The following examples illustrate the proper and improper
use of this command.
Proper use of 'ALL'
In the METHOD packet the line
IALL |_wx JGRIDVALUEJ
designates that in all subregions the values of the variable WX are to be input
by the GRID VALUE method. If 'ALL' also occurred in place of WX,
(ALL |ALL |GRIDVALUE| ,
the values of all input variables in all subregions would be input by the GRID
VALUE method.
In the STATION READINGS packet the line
(WEST |_ALL |-9.0 |
iOQ 03 - 3
20
-------
designates that the values of all variables reported by Station WEST are to be
set to -9.0 (a value that denotes missing data).
Improper use of 'ALL'
In the UNITS packet the line
IALL JKG/D |a |b |c j
says that all input variables, e.g., chemical species, will be expressed in kg/day,
and the conversion parameters a and b and the molecular weight c are to be
applied to all variables. This is an improper use of the word 'ALL1 because dif-
ferent species have different molecular weights.
4.1.3 Persistence of Data
The information provided in any TIME INTERVAL packet remains in effect until it is
replaced by another TIME INTERVAL packet. This persistence rule applies to ail
time-varying data, tnciuding subregion and method definitions and input values. For
example, methods for computing each variable in each subregion (METHOD packet)
need be specified only in the first TIME INTERVAL packet. They can be changed in
later packets if desired.
If no data are available for a given station over a certain time interval, that station
can be omitted in that time interval, and the data previously input for that station
will be used. However, if the data are to be treated as missing, the station must be
explicitly included and assigned values that are interpreted by the program as "miss-
ing data." In general, missing integer and real values are denoted by -9 and -9.0,
respectively.
Although this persistence feature can save considerable effort, it places on the user
the burden of ensuring that all changes in the input data from one time interval to
the next are properly specified.
30008
-------
4.1.4 Units of Measure
The UAM assumes a standard and consistent set of units for all of its computations,
and the files input to the UAM must contain data expressed in these units called
"internal units". The data input to preprocessors, however, may be expressed in
other units. To accommodate such data, the preprocessors contain a set of standard
unit designations for automatically converting input units to internal units. Addi-
tionally, the user can specify nonstandard conversion factors. Section 4.2.3 (on the
UNIT packet) explains the internal units for each variable, alternative units and their
standard conversion factors, and the method for specifying nonstandard unit conver-
sions.
4.1.5 Preparation Output Variables: Variables of UAM Input Files
Each preprocessor program writes a set of output variables. For example, for files
with data that vary by chemical species, the variables are the species names listed in
the CONTROL packet. For files that do not have data that vary by species, the
variables names are built into the preprocessor. The built-in output variables for
each file are described in Sections 5 through 7. Values input to a particular pre-
processor may be for the output variables themselves, or for variables that will be
acted on in some way to produce the output variables. For example, concentrations
of total hydrocarbon may be input to the AIRQUALITY program, whereas its output
consists of concentrations in each of several carbon-bond classes.
Whenever the variables used as input to one of the preprocessors are different from
the buiit-in output variables, they are referred to as "user-defined variables," and
must be named in the UNITS packet. Designation of the user-defined variables in
this way allows the program to allocate space for them internally. The preprocessor
internally uses user-defined variables and writes out the proper variables to be used
as input to the UAM program.
90008 '. 0
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4.1.6 Methods for Calculating Ground-Level Values of Each Variable
This section explains the methods for calculating the ground-level values of each
variable within each subregion, i.e., the values for the first layer of cells in the
three-dimensional model. (Section 4.2.8 gives instructions on dividing the modeling
region into subregions, and Section 4.1.7 describes methods for vertical interpola-
tion.) These methods are designated in the METHOD packet (Section 4.2.9). The
first eight methods can be used by any of several data preparation programs; the
•
remaining seven methods are each specific to a single program.
Some methods require parameters that are defined on lines immediately following
the method definition line. Because each of the methods has a unique format, the
parameters must be defined in the order in which they appear in the description of
the method to which they apply. For the UAM to run correctly, a method must be
defined for every variable and every user-defined variable in every subregion. The
method names used in the METHOD packet are identified in the following descrip-
tions.
4.1.6.1 Methods Shared by All Preprocessors
Specification of a Single Value (CONSTANT)
A single value will be used for the variable in every ground-level ceil in the sub- •
region. The value must be defined in a CONSTANTS packet and the preprocessor
will convert it to internal units if necessary. The CONSTANT method requires no
other parameters.
Specification of Gridded Values (GRID VALUE)
A value for the variable will be input for each ground-level grid cell in the sub-
region. The values must be defined in a GRID VALUE packet and the preprocessor
will convert them to internal units if necessary. The GRID VALUE method requires
no other parameters.
i o o o a . j
-------
Station Interpolation (STATINTERP)
This method will probably be the most widely used in most UAM applications. The
value for the variable at each ground-level grid cell in the subregion is calculated as
the weighted average of values at selected measuring stations that are located
throughout the domain. Station locations are defined in a. STATIONS packet; values
for the variable at each station are contained in a STATION READINGS packet and
the program will convert them to internal units if necessary. To calculate the value
for a grid cell, the program weights each station value by the inverse of the distance
of the station from the center of the cell. Four parameters must be specified to
control the selection of the stations to be included in the average. Omission of any
of the parameters may cause erroneous results. The parameters are as follows.
EXTENT. This number determines the acceptability of a station on the basis of
location within the subregion. If EXTENT = 0.0, a station within the radius of
influence will be included in the average regardless of the subregion it
occupies. If EXTENT k 0.0, only stations within the same subregion will be
accepted.
INITRADIUS (initial radius of influence). All stations within the initial radius
of influence of the cell for which values are being interpolated will be used.
The units for INITRADIUS are grid ceils. If this number is very large, ail sta-
tions will be included.
RADIUSINCR (increase initial radius). If no stations with measured values are
encountered within the Initial radius of influence, the radius will be increased
by RADIUSINCR until at least one station is included. This number is assumed
to be grid cells. When this number is small, the values generated will be dis-
tributed more smoothly over the region, but the cost in computing time could
be great. Conversely, when this number is large, computing time might be
reduced, but at the expense of irregularities in the computed grid cell values.
90008 '. 0
24
-------
MAXRADIUS (maximum radius of influence). Failure to find valid station data
within the maximum radius constitutes an error. This number is assumed to be
in grid cells.
Poisson Smoothing (POIS5ON)
The value for the variable at each ground-level grid cell in the subregion is calcula-
ted using the Poisson smoothing method (see Killus et al., 1984, Chapter IV, pp. 135-
142). Values for the variable at selected measuring stations must be input in the
STATION READINGS packet. The POISSON method requires three parameters:
MAXITER, the maximum number of iterations. The suggested number is < 200.
ERRORTOL, error tolerance. This parameter is expressed in the internal units
of the variable; the suggested value is 0.01 * expected value.
OMEGA, weighting factor to aid convergence. The suggested value is 1.4.
The POISSON method may produce spurious results near the boundaries of the model-
ing domain if there are no observed data near the boundaries. Under these condi-
tions, inclusion of pseudo observations (i.e., the placing of fictional stations with
fictional data) along the boundary will produce a more realistic interpolated field.
Split or Combine Variables (SPLIT/COMB)
Input variable can be split or combined to form output variables (typically, these are
species such as hydrocarbons or NO ):
N
var = ]£3 var.,,factor.
90008 i 0
25
-------
This method requires N parameter records; on record i the variable name is the name
of variable| and the value is factor^. If the variable name is left blank, the corre-
sponding factor is treated as a constant (i.e., var- = 1). Since SPLIT/COMB acts on
the gridded values of variables, all values for input variables will already have been
converted to internal units when this computation is done. Therefore, the factors
specified should not include unit conversions.
East-West Interpolation (E-W INTERP)
For each row of grid cells within a subregion, a linear interpolation will be carried
out between values specified for the bordering cells in the east and west edges of the
row. This subregion must not lie on an edge (i.e., it must be bounded on east and
west by other subregions) and values for the bordering subregions must be calculated
by a noninterpolative method. The E-W INTERP method requires no other
parameters.
North-South Interpolation (N-S INTERP)
For each column of grid ceils within a subregion, a linear interpolation will be car-
ried out between values specified for the bordering cells on the north and south edges
of the column. This subregion must not lie on an edge (i.e., it must be bounded on
north and south by other subregions) and values for the bordering subregions must be
calculated by a noninterpolative method. The N-S INTERP method requires no other
parameters.
User-Supplied Algorithm (USER)
Any algorithm of choice can be inserted in a user-supplied subroutine for any vari-
able. All available data are passed to the subroutine as arguments. At present, all
user-defined subroutines are dummies; as new methods are developed, they can be
inserted in user-defined subroutines, and parameter values can be read and passed as
for any of the standard methods.
3000810 „
26
-------
4.1.6.2 Methods Specific to Preprocessors
Boundary Values (BOUNDVALUE)
This method is used oniy in preparing the BOUNDARY file. It specifies that concen-
tration values will be input for each boundary line segment through the BOUNDARY
READINGS packet. BOUNDVALUE requires no parameters.
Emission Values (EMVALUES)
With this method, used only in preparing the PTSOURCE file, point source emissions
are entered for a species for a point source type by means of the EMISSIONS
VALUES packet. EMVALUES requires no parameters.
Emission Factors (EMFACTORS)
This method, too, is used only in preparing PTSOURCE. The emissions values and
flow rate previously entered for a species and point source type will be modified by
factors supplied by means of an EMISSIONS FACTORS packet. This method requires
no parameters.
Region Top Height (FIXDHEIGHT)
This and the following method are used only for the REGIONTOP file. Both require
that the DIFFBREAK file be input and that the vertical definition of the region be
included in the REGION packet.
With FIXDHEIGHT, the region top is defined such that the number of cells in the
upper layer (NZUPPER) will be of a fixed height above the diffusion break, subject to
30008 ".3
-------
the maximum height indicated on the method card. (NZUPPER is defined in the
REGION packet.) The region top can be defined as being equal to the diffusion
break, subject to the maximum height indicated on the method line, by specifying
NZUPPR = 0. This method requires one parameter: UPCELLHT, the cell height in
the upper layer (above the diffusion break). If NZUPPR > 0, this number must be
specified and must be greater than the minimum height of upper layer ceils.
Region Top Height (SAMEHEIGHT)
The region top is defined such that there will be NZUPPR cells above the diffusion
break of the same height as the NZLOWR cells between the top of the surface layer
and the diffusion break, subject to the maximum height indicated on the method
card. No other parameters are required.
Region Top Concentration (A'BSTOPCONC)
This and the following method are used only for the TOPCONC file. Both require
that vertical concentration profiles be specified in a VERTICAL PROFILES packet;
i.e., they require a number of height-concentration pairs for each species in each
subregion. Both methods require the REGIONTOP file.
The concentration at the top of the region for each grid cell will be calculated from
a profile based on the height of the top of the region. The concentration value to be
used is determined by comparing the height of the top of the region above ground
with the height of each profile point. The profile is input as a set of pairs (H^, F-),
where H is height and F is some profile value. Since it is assumed that the pair (Hj,
Fj) corresponds to ground level, the following transformation is applied to all
heights:
H[ = H. - H1
The profile is thus considered to be the set of pairs (H!, F.) ordered by increasing
H1.
30008 10
28
-------
The profile is used for a particular grid cell in the following way. For a cell at a
given (x,y) location on the grid, find the height T of the top of the region. The con-
centration, C, at the top is then defined as
C , Fn , if T > H;
H!"-H- » if H1-1 * T * Hl
Region Top Concentration (RELTOPCONC)
The concentration at the top of the region for each grid cell will be calculated from
the profile based on the height of the top of the region relative to the height of the
diffusion break. The value to be used is determined by comparing (1) the height of
the top of the region relative to the height of the diffusion break with (2) the height
of each profile point relative to its diffusion break. The following transformation is
applied to all (H-^ F;) pairs in the profile.
Hl = (Hi -Hl)/DBp '
where DB = diffusion break at the profile location. The profile is thus considered to
be the set of pairs (H!, F.) ordered by increasing H'.
The profile is used for a particular grid cell in the following way. For a cell at a
given (x,y) location on the grid, find the height T of the top of the region. Then,
convert the absolute height T to the height of the top relative to the diffusion break
at that location:
' DB '
The concentration, C, at the top is then defined as in the ABSTOPCONC method,
except that T' substitutes for T.
-------
4.1.7 Methods for Setting Initial and Boundary Condition Concentrations Aloft
The methods used to define values of the output variables in each cell above ground
level assume that ground-level values already exist and are in the units required for
the UAM. These methods are designated in the VERTICAL METHOD packet (Section
4.2.10). The first eight methods can be used by any of several preprocessing pro-
grams; the remaining methods are each specific to a single program.
Some vertical methods require parameters that are defined on lines immediately
following the method definition line. For UAM input files with data that vary
vertically, the method must be defined for every variable and every user-defined
variable in every subregion for the system to function correctly. In some cases the
method definition may seem superfluous, but a method should be defined anyway to
avoid possible spurious error messages. For instance, suppose the surface value of
the variable PAR (paraffins) is to be derived from the user-defined variable RHC
(reactive hydrocarbons) using the method SPLIT/COMB. The method used to calcu-
late concentrations of PAR aloft will determine how the surface value of PAR is
extrapolated to the upper levels. The values of RHC in the upper levels do not enter
into any of the calculations of PAR. But a method for allocating RHC above ground
level should be defined anyway (CONSTANT is a good choice) to avoid error mes-
sages regarding missing values. The method names used in the VERTICAL METHOD
packet are indicated in the following descriptions. These methods consist of one that
assumes no vertical variability (CONSTANT) and several profile methods.
CONSTANT
Values in each cell above ground level are equal to the ground-level value. This
method requires no additional parameters.
-00 OB
-------
4.1.7.1 Profile methods
Four of the methods require the input of a vertical profile to describe the shape of
the vertical distribution of values. These methods require use of the DIFFBREAK
and REGIONTOP files. In two of these methods, ABSPROFILE and RELPROFILE,
only the ground-level value Is used in calculating values above ground level. In the
other two, ABSPROFRAT and RELPROFRAT, the value for the variable at the top
of the region is required in addition to the ground-level value, and the profile defines
the shape of the interpolation between them. These two ratio methods also require
the TOPCONC file. In addition, the user may choose a different vertical interpola-
tion algorithm by specifying VERTUSER.
Each profile method can be used in either the "absolute" or "relative" mode. In the
absolute mode the heights provided with each profile point are used directly to
calculate the variable value at a cell of a given height. That is, the absolute height
of the cell above ground is used to determine the profile value. In the relative mode
the heights provided with each profile point are used as heights relative to the dif-
fusion break or top of region at the specified location of the profile.
Units conversion may be performed on input profile values, which may affect the
way these methods operate. Refer to the section .on the VERTICAL PROFILES
packet (Section 4.3.18) for more details.
Absolute Profile (ABSPROFILE)
The vertical profile input describes the shape of the vertical distribution of values
using the ground-level value. A scaling factor is used to modify the surface value to
determine a value at a particular ceil above ground. The scaling factor is
determined by comparing the height of each cell above ground with the height of
each profile point. The profile is input as a set of pairs (H^, F^), where H is height
and F is some profile value. Since it is assumed that the pair (Hj, Fp corresponds to
ground level, the following transformation is applied to all pairs:
90008 10
31
-------
H! = H. - H, ,
i i 1
pi _ p
'
The profile is thus considered to be the set of pairs (H! , F! ) ordered by increasing
H1.
The profile is used for a particular grid cell in the following way. For a cell at a
given (x,y) location on the grid, find the average height (A^) of each ceil above
ground level (k). The thickness of the cells and the resulting cell "heights" are
determined by the value of the diffusion break and the region top at the cell
location. The average height (A^) of the cell is defined at the node or midpoint of
the layer. For example, the value for A^ of a 100 m thick layer for the first layer is
50 meters. The value for A^ of a 200 m layer situated above the 100 m layer would
be 200 m. If the ground-level value at that location is Vj, then
where
= F' , if A, > H1
n ' k n
Ak - Hi-1
= F' + 777 rrr-1 (F! - F! ), if
*-1 ^i - Vl l 1"
Relative Profile (RELPROFILE)
The vertical profile input describes the shape of the vertical distribution of values
using the ground-level value. The scaling factor used to modify the surface value is
determined by comparing (1) the height of each cell above ground relative to the
height of the diffusion break with (2) the height of each profile point relative to its
diffusion break. The profile is input as a set of pairs (Hj, Fp, where H is height and F
is some profile value. Since it is assumed that the pair (Hi, Fi) corresponds to
ground level, the following transformation is applied to all pairs: For all i,
3 C 0 0 8 '. 0
32
-------
H! = (H. -
F! = F./Fl ,
where DB- = diffusion break at profile location. The profile is thus considered to be
the set of pairs (H! , F! ) ordered by increasing H1.
The profile is used for a particular grid cell in the following way. For a ceil at a
given (x,y) location on the grid, the average height (Ak) of each cell above ground (k)
is determined by the heights of the diffusion break and top of the region. Then the
average height Ai^ is converted to the height of the cell relative to the diffusion
break at that location:
' DB '
If the ground-level value at that location is Vj, then
V, = factor, »V1 ,
tv K I
where the terms are defined as for the ABSPROFILE method above, except that
A ' substitutes for A^.
Absolute Profile Ratio (ABSPROFRAT)
The vertical profile input describes the shape of the vertical distribution of values
expressed as the relative contribution (weighting) of the ground-level value and
another value (which may be the value at the top of the region). The weighting fac-
tor is determined by comparing the height of each ceil above ground with the height-
of each profile point. The profile is input as a set of pairs (Hj, Fp, where H is height
and F is a profile value 0 < F < 1. F = 0 means that only the ground-level value
should be used. F = 1 means that only the other (top) value should be used. (The
exact formula is shown below.) Since it is assumed that the pair (Hj, Fj) corresponds
to ground level, the following transformation is applied to all heights: For all i,
30008 .J
-------
H:_ = H - HI
The profile is thus considered to be the set of pairs (H!, F.) ordered by increasing
H1.
The profile is used for a particular grid cell in the following way. For a cell at a
given (x,y) location on the grid, the average height (Ak) of each ceil (k) above ground
is determined by the heights of the diffusion break and top of the region. If the
ground-level value at that location is V and the other (top) value is Vt, then
Vk = Vg + factor^ (Vfc - Vg) ,
where
factor = 1.0 , if A > H'
tt & n
A - H1
H! -H?"! (Fi-Fi-1}' if
i 1-1
Relative Profile Ratio (RELPROFRAT)
The vertical profile input describes the shape of the vertical distribution of values
expressed as the relative contribution (weighting) of the ground-level value and
another value (which could be the value at the top of the region). The weighting fac-
tor is determined by comparing (1) the height of each ceil relative to the diffusion
break with (2) the height of each profile point relative to its diffusion break. The
profile is input as a set of pairs (H^, Fp, where H is height and F is a profile value, O
< F < 1. F = O means that only the ground-level value should be used. F = 1 means
that only the other (top) value should be used. (The exact formula is presented
below.) Since it is assumed that the pair (H^, F^) corresponds to ground level, the
following transformation is applied to all heights: For all i,
H! = (H. -
90008 - 0
34
-------
where DB = diffusion break at profile location. The profile is considered to be the
set of pairs (HI, F.) ordered by increasing H1.
The profile is used for a particular grid cell in the following way. For a cell at a
given (x,y) location on the grid, the average height (A^) of each cell (k) above ground
is determined by the heights of the diffusion break and top of the region. Then the
averaging height A^ is converted to the height of the ceil relative to the diffusion
break at that location:
a( \
Ak ' DB '
If the ground-level value at that location is Vg and the other (top) value is Vt, then
Vk = Vg * factork (V, - Vg),
where the terms are defined as for ABSPROFRAT above, except that A/ substitutes
for A^.
East-West Interpolation (E-W INTERP)
For each row a linear interpolation will be carried out between values in the border-
ing cells in the east and west edges of the row. This subregion must not lie on an
edge (i.e., it must be bounded on east and west by other subregions), and values for
the bordering subregions must be calculated by a noninterpolative method. The E-W
INTERP method requires no other parameters.
North-South Interpolation (N-S INTERP)
For each column a linear interpolation will be carried out between values in the
bordering cells on the north and south edges of the column. This subregion must not
lie on an edge (i.e., it must be bounded on north and south by other subregions), and
values for the bordering subregions must be calculated by a noninterpolative
method. The N-S INTERP method requires no other parameters.
30003 .0
-------
User-Supplied Algorithm (VERTUSER)
Any algorithm of choice can be insured in a user-supplied subroutine for any vari-
able. All available data are passed to the subroutine as arguments. At present, all
user-defined subroutines are dummies; as new methods are developed, they can be
inserted in user-defined subroutines, and parameter values can be read and passed as
for any of the standard vertical methods.
4.1.7.2 Methods for Calculating Point Source Emissions
To create the PTSOURCE file, a method must be chosen for determining the height
at which the emissions from each point source enter the modeling region. Two
methods have been provided, STACKHGT and PLUMERISE. Each method requires
the use of the DIFFBREAK and REGIONTOP files.
STACKHGT
The emissions enter the region in the cell above ground that contains the top of the
stack. No additional parameters are required.
PLUMERISE
Plume rise is calculated by the Briggs formulas (see Briggs, 1975). This method the
requires the use of the TEMPERATUR, METSCALARS, and WIND files. PLUMERISE
requires no other parameters.
3 o o o a
-------
4.2 PACKET RULES AND FORMATS
This section presents the following information for each packet:
Instructions as to where the packet is used
Special information about the contents
A table of definitions of each field on each line
A table showing the format of the packet as a whole
^0008 ' 0
-------
*.2.1 CONTROL Packet Rules
The CONTROL packet defines input and output options and maximum variable
counters to set internal array dimensions for each of the preprocessors. The
CONTROL packet must always be the first packet input. The first three lines are
the packet header and name and identifier of the UAM. input file to be created.
Lines 4-8 contain counters for specifying array sizes and options for input and
output; the standard entries for these lines are listed in Table 4-2.
These control parameters are used in different combinations for different pre-
processing programs; the specific control parameters required for each program are
defined in Chapters 5 through 8. Some control parameters do not apply for all
preprocessor files; these parameters are listed as "spare" and any values are
ignored. Following the control lines are lines containing species names, if any, and
the time span of the file being created. The CONTROL packet is described in
Table 4-3.
-------
TABLE M-2. Standard entries for lines 4
through 8 of the CONTROL packet.
Line
Number Entries
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 Number of vertical parameters
Number of heights in profile
Print vertical methods table
Print vertical profile cables
Spare
Spare
8 DIFFBREAK file number
REGIONTOP file number
TOPCONC file number
TEMPERATUR file number
METSCALARS file number
WIND file number
30003
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4.2.2 REGION Packet Rules
The REGION packet contains a complete definition of the location, size, and
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*.2.3 UNITS Packet Rules
The UNITS packet is used to change input data from one set of units to the
standardized internal units used in the UAM. All user-defined variables must be
named in this packet, even if they are already expressed in internal units. This
packet, when used, should follow the REGION packet and precede all the others,
since it can modify coordinates specified in other time-invariant packets.
Table 4-5 shows the internal units for all variables used by the Urban Airshed
Model. Table 4-6 shows other standard units that can be used and the conversion
factors for each variable. Table 4-7 shows the standard molecular weights for cer-
tain species. In addition to internal units or built-in standard units, the user can
specify his own input units, conversion factors, and molecular weights. The following
specific rules apply to this packet:
If a chemical species or other variable is not defined in this packet, the data
for the species or variable are assumed to be already in the appropriate
internal units.
If the unit name lor a variable is left blank, the program will provide space for
that variable and no unit conversions will be performed.
If the variable is in one of the alternative standard units shown in Table '4-6,
the units should be named and the factor fields left blank: the built-in conver-
sion factors will then be used.
If the variable is input in nonstandard units, the unit name should be specified
and scaling factors provided; units will be converted using the following
formula:
var internal = a*var input + b •
where a and b are the multiplicative and additive factors as listed in Table 4-6.
30008 .0
52
-------
If the variable is a chemical species and the input values are in units of mass
rather than moles, units will be converted using the following formula:
varinternal = (a*var input * b)c
-------
TABLE 4-5. Default units for standard*variables used in the
Urban Airshed Model.
Variable Name
HEIGHT
COORD
DIFFBREAK
REGIONTOP
ROUGHNESS
DIAMETER
SPEED
WINDX
WINDY
CARM
STACKVEL
FLOWRATE
DIRECTION
TEMPERATUR
STACKTEMP
TGRADBELOW
TGRAD ABOVE
ATMOSPRESS
EXPCLASS
VEGFACTOR
RADFACTOR
CONCWATER
Other Variables
Time
Concentrations
Point source emissions
Internal Units
m
m
m
m
m
m
m/h
m/h
m/h
m/h
m/h
m3/h
radians (from N = 0)
K
K
K/m
K/m
a tin
unitless
unitless
min'1
ppm
h
ppm (ug/nH for
aerosols)
g-mol/h
(g/h for aerosols)
Code
M
M
M
M
M
M
M/HR
m/HR
M/HR
M/HR
M/HR
M3/HR
RADN=0
DECK
DECK
DEGK/M
DEGK/M
ATMOSPHERE
»
*
*
PPM
»
PPM,
MICROG/M3
GM/HR
G/HR
* The units for these variables cannot be changed by the UNITS
packet.
30008
1 -a
54
-------
TABLE 4-6. Standard unit conversions.
Variable
TEMPERATUR
HEIGHT
COORD
ROUGHNESS
DIFFBREAK
REGIONTOP
DIAMETER
SPEED
WINDX
WINDY
CARM
STACXVEL
DIRECTION
TGRADUPPER
TGRADLOWER
Standard Unit
Kt
°C
op
°R
Mt
cm
km
in
ft
mi
m/h1"
km/h
mi/h
m/min
ft/min
m/s
ft/s
knots
radians (from N = O)1"
radians (from 3=0)
degrees (from M = 0)
degrees (from 5=0)
16-point (from 3=1)
16-point (from S = 16)
36-point (from 3=1)
36-point (from S = 36)
K/m*
K/km
°C/m
°C/km
°F/ft
°F/mi
8R/ft
°R/mi
Code
DECK
DEGC
DEGF
DEGR
M
CM
KM
IN
FT
MI
M/HR
KM/HR
MI/HR
M/MIN
FT/MIN
M/S
FT/S
KNOTS
RADN=0
RADS=0
DEGN=0
DEGS=0
16PTS=1
16PTS=16
36PTS=1
36PTS=36
DEGK/M
DEGK/KM
DEGC/KM
DEGC/KM
DEGF/FT
DEGF/MI
DEGR/FT
DEGR/MI
a
-9.0
-9.0
0.5555556
0.5555556
-9.0
0.01
1000.0
0.0254
0.3048
1609.344
-9.0
1000.0
1609.344
60.0
18.288
3600.0
1097.28
1852.0
-9.0
-9.0
0.01745329
13.01745329
0.392699
0.392699
0.1745329
0.1745329
-9.0
0.001
-9.0
0.001
1.822689
0.0003452
1.822689
0.0003452
b
-9.0
273.15
255.38
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
3.141593
-9.0
3.141593
2.748893
3.141593
2.967059
3.141593
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
90003
-------
TABLE 4-6. Concluded.
Variable
ATMPRESS
Concentrations
CONCWATER
Point Source
Emissions
Standard Unit
atmt
bars
mm of Hg
ft of H50
2 *
kg/ cm
in of Hg
lb/in2
psi
millibars
in of H20
ppm1
pptm
pphm
PPb
g mol/nr
Ib mol/ft3
yg/m3
g/m3
ib/ft3
g-mol/h'
g-mol/day
ib-mol/h
Ib-mol/day
kg/h
kg/day
Ib/h
Ib/day
ton/h
ton /day
ton/year
Code
ATMOSPHERE
BARS
MMHG
FTH20
KG/CM2
INHG
LB/IN2
PSI 0.068046
MILLIBARS
INH20
PPM -9.0
PPTM
PPHM
PPB 0.002
GM/M3
LBM/FT3
MICROG/M3
G/M3
L3/FT3
GM/HR
GM/D
LBM/HR
LBM/D
KG/HR
KG/D '
LB/HR
LB/D
TON/HR
TON/D
TON/YR
a
-9.0
0.986923
0.0013158
0.029499
0.967841
0.0334211
0.068046
-9.0
0.0009869
0.0024582
-9.0
0.1
0.01
-9.0
.24400
3.876x10"
-0.0244
-24400
-3.376x10"
-9.0
0.0416667
453.592
18.89967
-1000.0
-41.6667
-453.592
-18.89967
-907184.0
-37799-3
-103.6
b
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
-9-0
-9.0
-9.0
-9.0
-9.0
-9-0
-9.0
-9.0
-9.0
-9.0
-9.0
-9.0
* When the multiplicative factor a is negative, but not -9.0, the molecular weight
is used in the denominator, and the absolute value of a is used as the multiplier.
' Internal units.
90008
-------
TABLE 4-7. Species names and molecular weights
used for unit conversion. (See Table 5-3 for
explanation of species names.)
Species
NO
N02
CO
03
H202
S02
HN02
H20
02
C02
SOU
PAN
PAR*
OLE*
ETH»
TOL*
XYL»
ETOH«
MEOH*
FORM*
ALD2*
ISOP*
AERO
CH4
TOTAL HC
SOX
NOX
OXIDANT
Molecular Weight
30.
46.
28.
48.
34.
64.
47.
18.
32.
44.
96.
121.
16.
32.
32.
112.
128.
32.
16.
16.
32.
80.
1.
16.
16.
54.
46.
48.
* Default molecular weieht for CB-IV hvdroearbon
species is the carbon number times the molecular
weight of methane. The user must ascertain that
this is appropriate before using the default
'•raiues. The user can override these values in
:ne JN173 :acicec.
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H.2A STATIONS Packet Rules
The STATIONS packet provides information on the names and locations of monitoring
stations within the modeling domain to be used in interpolating data to grid cells that
do not contain a monitoring station. The STATIONS packet must appear before the
first time interval and include all stations for which there are data in the file,
regardless of time interval. The STATIONS packet must be included if the methods
STATINTERP or POISSON are used for any variable.
The number of stations must not exceed the maximum number of stations specified
in the CONTROL packet. Duplication of station names is considered an error and
results in termination of the run. The coordinates of stations are assumed to be
measured in meters (unless altered by the COORD variable in the UNITS packet) in
the same system as the "Origin of Grid" in the REGION packet (line 3). If the
"Origin of Grid" is the UTM coordinates of the reference origin, the station coordi-
nates must also be in UTM coordinates. If the "Origin of Grid" is (0 , 0), the station
coordinates must be in meters from the reference origin.
The STATIONS packet is described in Table 4-9.
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4.2.5 POINT SOURCES Packet Rules
The POINT SOURCES packet contains information on each point source being simu-
lated with the UAM and is used only for preparing the PTSOURCE file. It must
appear before the first time interval and include all point sources for which there are
data in the file, regardless of time intervals.
Two lines (a. pair) are required for each point source, and the number of pairs must
equal the number of point sources specified on line 4 of the CONTROL packet.
Duplication of point source names is considered an error, resulting in termination of
the run. The coordinates of point sources are assumed to be measured in meters
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the "Origin of Grid" in the REGION packet (line 3). If the "Origin of Grid" is the
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packet), the point source coordinates must also be in UTM-coordinates. If the
"Origin of Grid" is (0 , 0), the point source coordinates must be in meters from the
grid origin.
The POINT SOURCES packet is described in Table 4-10.
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4.2.6 BOUNDARIES Packet Rules
The BOUNDARIES packet is used in preparing the BOUNDARY file and contains
information on the ceils within the modeling domain for which UAM calculations will
be performed. Using boundaries that are different than the rectangular boundaries
of the modeling domain enables the user to simulate only those ceils of interest, a
subset of the full domain of ceils.
The BOUNDARIES packet must appear before the first time interval. It contains a
set of line segments that define the boundary of the simulated area; each line seg-
ment is defined by two coordinate pairs that represent its end points. The line seg-
ments can appear in any order and, within each one, the end points can appear in any
order, but the complete set must represent a closed figure (i.e., every end point must
be identical to one, and only one, end point of another line segment). In addition, the
figure represented must be nonconcave along each axis; that is, within a single row
or column, any two cells within the simulated grid must not have any nonsimulated
ceils between them.
The boundary line segments outline the edge cells within the inner area to be simula-
ted. Figure 4-1 shows a 17 x 22 ceil region in which the inner 15 x 20 area is to be
simulated. In the figure the boundary line segments are indicated by the aasned
lines. To ensure that the program succeeds in matching the end points of touching
line segments, each end point should be defined to be in the center of the ceil in
which It lies. The number of boundary line segments input must not exceed the
maximum number specified on line 4 of the CONTROL packet. Duplication of line
segment names is considered an error and results in termination of the run.
The coordinates of end points of boundary line segments are assumed to be measured
in meters (unless altered by the COORD variable in the UNITS packet) in the same
system as the "Origin of Grid" in the REGION packet (line 3). If the "Origin of Grid"
is the UTM coordinates of the grid origin ("Reference Origin", line 2 in the REGION
packet), the end point coordinates must also be in UTM coordinates. If the "Origin of
Grid" is (0 , 0), the end point coordinates must be in meters from the grid origin.
The BOUNDARIES packet is described in Table 4-11.
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4.2.7 TIME INTERVAL Packet Rules
The TIME INTERVAL packet contains time-varying data, such as emission informa-
tion or meteorological data that changes hour-by-hour for the simulation. A series
of TIME INTERVAL packets follows the time-invariant data. The time intervals
must be continuous, must go forward in time, and must cover the entire time span of
the file as specified in the CONTROL packet. If any time interval extends beyond
the time span specified in the CONTROL packet, that time interval will be reset by
the program to lie exactly within the time span of the file.
TIME INTERVAL packets contain other time-varying packets that define regional
divisions, calculation methods, and time-varying data values. Each TIME INTERVAL
packet consists of a header card, a time interval card, other packets as desired, and
a terminator card. The other time-varying packets that can be included within the
TIME INTERVAL packet for a given file are defined in Chapters 5 through 8; their
formats and rules are described in the remainder of this chapter.
The TIME INTERVAL packet is described in Table
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SUBREGION Packet Rules
The entire modeling region can be divided into subregions to allow the model to treat
geographic differences in data. Different data preparation methods or parameters
can be defined for each subregion. Different types of data files are likely to have
different subregions. In fact, a subregion definition can be changed within the time
span of a file depending on the availability of or assumptions about the data.
A subregion name must te assigned to each grid square in the modeling region. The
maximum number of subregion names that may be assigned is specified in the
CONTROL packet. If this number is I, the entire modeling region is considered to be
one subregion; nevertheless, the SUBREGION packet must be included and must
appear at the beginning of the first TIME INTERVAL packet. In subsequent time
intervals the SUBREGION packet can be used to change subregion assignments. Only
those portions of the region to be changed need be specified. New subregion names
can be added provided that the maximum number is not exceeded.
Subregion names are assigned by row. A typical subregion definition card contains a
subregion name and a row in which it appears. For that row, a column number and
the number of ceils or ceil count, n, are specified. Beginning at that column, the
subregion name will be repeated for n columns along the row. The following condi-
tions constitute errors and result in termination of the program:
The cell count extends the column count beyond the edge of the region.
Any grid cell is left unassigned.
The number of subregion names exceeds the maximum number specified in the
CONTROL packet.
If the entire region is to be treated as one subregion, the SUBREGION packet should
contain the following information:
1 0 0 0 3 10
74
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SUBREGION
A |
END
where 'A1 (or some other simple name) is the subregion name. This name (or 'ALL')
must then be used in the subregion field of all subsequent input lines.
The SUBREGION packet is described in Table 4-13.
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».2.9 METHOD Packet Rules
The METHOD packet defines the method used to calculate ground-level values of
each variable in each subregion. It is required for all standardized input files except
METSCALARS. The METHOD packet must appear within the first TIME INTERVAL
packet, and it must directly follow the SUBREGION packet. Methods will be used in
subsequent time intervals unless they are respecified. If new subregions are defined
for later time intervals, methods must also be defined for them.
Within the METHOD packet each method definition (line 2) must be followed by the
required parameters (line 3), in the order they are listed in Section 4.1.6. All
methods and required parameters are defined In Section 4.1.6. The particular
methods that can be used with each preprocessor are defined in Chapters 5
through 7.
The METHOD packet is described in Table 4-14.
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4.2.10 VERTICAL METHOD Packet Rules
This VERTICAL METHOD packet is used to define the method used to calculate
values of each variable above ground level in each subregion. The VERTICAL
METHOD packet must appear within the first TIME INTERVAL packet; it must fol-
low the METHOD packet and precede the VERTICAL PROFILES packet (if any).
Methods will be used in subsequent time intervals unless they are respecified. If new
subregions are defined for later time intervals, methods must also be defined for
them. Within the VERTICAL METHOD packet each method definition (line 2) must
be followed by the required parameters (line 3). All methods and required
parameters are defined in Section 4.1.7. The particular methods that can be used
with each preprocessor are defined in Chapters 5-7.
The VERTICAL METHOD packet is described in Table 4-15.
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4.2.11 CONSTANTS Packet Rules
The CONSTANTS packet is used to specify the actual values for the variables in sub-
regions for which the CONSTANT method treatment is specified in the METHOD
packet.
The CONSTANTS packet is required within the first TIME INTERVAL packet if any
variable in any subregion has been specified as constant, using the CONSTANT
method in the METHOD packet. The CONSTANTS packet allows for the conversion
of input data from nonstandard to standard internal units used by the UAM. All con-
stant values must be specified for the initial time interval and will persist in subse-
quent time intervals unless changed.
The CONSTANTS packet is described in Table 4-16.
90008 : 0
36
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4.2.12 GRID VALUES Packet Rules
The GRID VALUES packet must be included within the first TIME INTERVAL packet
if the method for any variable in any subregion has been specified as GRID VALUE
(in the METHODS packet). All grid values must be specified for the initial time
interval and will persist in subsequent time intervals unless changed. The GRID
VALUES packet is described in Table 4-17.
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4.2.13 STATION READINGS Packet Rules
The STATION READINGS packet contains specific input data that are vaiid for each
station in the modeling domain and are used in the interpolation at grid ceils between
stations. The STATION READINGS packet must appear within the first TIME
INTERVAL packet when the method for any variable in any subregion has been spec-
ified as STATINTERP or POIS5ON (in the METHODS packet). If the value of a vari-
able for a station does not appear in the first time interval, the variable is
considered "missing" for the station and the station will not be included in the
calculation. Data in subsequent time intervals can be modified with the STATION
READINGS packet in the following ways.
An existing reading can be changed by substituting a new value.
An existing reading can be nullified (i.e., changed to "missing") by specifying
'-9.0'.
A "missing81 reading can be changed to "nonmissmg" by supplying a value.
For any station-variable pair not supplied, the value specified in the previous time
interval, "missing" or not, will persist. Note that input values are subject to unit
conversions as specified in the UNITS packet.
The STATION READINGS packet is described in Table 4-18.
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EMISSIONS VALUES Packet Rules
The EMISSIONS VALUES packet contains information on ail point sources to be simu-
lated with the UAM and is used to create the PTSOURCE file. It provides emissions
values for those variables required by the method EMVALUES (specified in the
METHODS packet). The packet must be included within the first TIME INTERVAL
packet (unless all emissions are zero); any point source or species emitted from a
point source that is not identified in the first time interval as a point source-species
pair will be assumed to be zero. Data will persist in subsequent time intervals unless
changed. If all point sources of a given type have the same emissions values, the
type can be specified instead of individual point source names.
If the method PLUMERISE has been specified for a point source type, the variable
FLOWRATE can be either input in the EMISSIONS VALUES packet or calculated by
the preprocessor. If it is not input, it will be calculated from the stack diameter and
exit velocity specified in the POINT SOURCES packet (Section 4.2.5). This informa-
tion is used to determine the piume rise of Individual point source plumes for each
hour.
The EMISSIONS VALUES packet is described in Table 4-19.
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4.2.15 EMISSIONS FACTORS Packet Rules
The EMISSIONS FACTORS packet can be input for a given time interval to scale the
emissions values previously input. This would be done, for example, to represent
operating conditions at a particular facility. The factors are used only if the method
EMFACTORS was specified (in the METHODS packet) for the variable and point
source type. The following formula will be used:
output emissions (source, species) = factor (source, species)
x emissions (source, species).
The factor is always applied to the last emissions value input in an EMISSIONS
VALUES packet, not the last one calculated by a previous emissions factor. If fac-
tors are not input, they are assumed to be i.O (or the previous value specified).
Emissions factors are applied to emission values that should already be in internal
units.
The EMISSIONS FACTORS packet is described in Tabie 4-20.
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4.2.16 BOUNDARY READINGS Packet Rules
The BOUNDARY READINGS packet is used to input ground-level concentration data
for each segment of the simulated UAM grid and is used to create the BOUNDARY
file. It provides values for those variables required by the method BOUND VALUE
(specified in the METHODS packet). The BOUNDARY READINGS packet must be
input within the first TIME INTERVAL packet. Concentration values at ground level
are specified for each species for each boundary line segment; missing values are
considered an error. In subsequent time intervals only the data to be changed need
be specified.
The BOUNDARY READINGS oacket is described in Table 4-21.
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4.2.17 SCALARS Packet Rules
The SCALARS packet is used to assign values to meteorological scalars contained
in the METSCALARS file. The SCALARS packet must be input within the first
TIME INTERVAL packet. For this time interval, all six meteorological scalars
(TGRADBELOW, TGRADABOVE, EXPCLASS, RADFACTOR, CONCWATER, and
ATMOSPRESS) must be assigned values. Missing values are considered errors.
In subsequent time intervals only the data to be changed need be specified.
The SCALARS packet is described in Table 4-22.
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4.2.18 VERTICAL PROFILES Packet Rules
The VERTICAL PROFILES packet is used to specify how various vertical interpola-
tion methods will extrapolate input data for the surface cell to the cells above. A
vertical profile is required for some vertical interpolation methods (see Section 4.1.7
for details). The VERTICAL PROFILES packet must contain a profile for each sub-
region-variable pair requiring one. Each profile must contain at least two points,
which must be entered in order of increasing height. The first point always repre-
sents ground level. There can be only one vertical profile specified for a given sub-
region and variable, although more than one subregion and variable may use the some
profile. Each profile consists of a description line followed by a set of height/value
pairs. 3oth profile heights and values are subject to unit conversions. If COORD is
specified in the UNITS packet, heights will be converted accordingly.
If a profile is to be used for a variable specified in the UNITS packet, the profile
values will be subject to conversion. The conversion may have little effect for the
methods ABSPROFILE and RELPROFILE, in which the factors used in the profile are
calculated as ratios of the input values. However, the methods ABSPROFRAT and
RELPROFRAT will be strongly affected by unit conversion. The user must be
especially careful when using !ALL' as the variable name, since the conversion for
the first variable will be used and the profile applied for ail the rest of the variables.
The VERTICAL PROFILES packet is described in Table u-23.
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CHEMPARAM
5 CONTROL DATA FILES
Of the 13 files input to the Urban Airshed Model, two are classified as control data
files: the chemistry parameters file (CHEMPARAM) and the simulation control file'
(SIMCONTROL). This chapter describes in detail the preparation of these files. The
description of each file includes a flow diagram, the definitions and formats of
packets, and sample input and output listings.
5.1 THE CHEMISTRY PARAMETERS FILE (CHEMPARAM)
The chemistry parameters file, CHEMPARAM, defines the chemical species charac-
teristics, reaction properties, and stoichiometric coefficients for the Carbon-Bond
Mechanism IV. Data for this file are prepared by the preprocessing program CPREP.
5.1.1 Chemistry Preprocessor (CPREP)
The CPREP preprocessing program (Figure 5-1) requires as input a CONTROL
packet, a SPECIES packet, and, if not simulating inert species, a REACTIONS packet
(fully described below). The COEFFICIENTS packet is not used for CB-IV, but its
format is included for completeness. CPREP reads the inputs from unit 5 and writes
printable output to unit 6. The output from CPREP consists of input data values,
error messages, if any, and the values written to the CHEMPARAM file. The file
itself is written to FORTRAN unit 20, and the file format is described in Chapter 3
of Volume I.
9 0 C C 8 • 3
-------
Input Data File
C9NTROL
END
SPECIES
END
REACTIONS
•
•
•
END
COEFFICIENTS
*
END /
(6) f
Printed
values
(20)
( CHEMPARAM
\y (binary)
FIGURE 5-1. Information flow for creation of the CHEMPARAM file
(numbers in parentheses are FORTRAN file unit numbers).
1UD
-------
CHEMPARAM
5.1.2 CPREP Input Format
The CPREP input file consists of the CONTROL, SPECIES, and REACTIONS packets
(see Chapter 4 for formats). The CB-IV version of the UAM no longer uses
COEFFICIENTS. However, the preprocessor CPREP is still capable of processing a
COEFFICIENTS packet.
CONTROL
A CONTROL packet is used to create the CHEMPARAM file. The packet names and
identifies the file and specifies the number of species, reactions, and coefficients
(Table 5-1). This packet must be entered before any other packet.
SPECIES
The SPECIES packet must follow the CONTROL packet. It consists of a packet
header, one pair of lines 2 and 3 for each species to be simulated, and a packet
terminator (Tabie 5-2).
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 and INSTANT will contain these species in this order, with the tracer
species CL3R added at the end.
If any reactive species are to be simulated, their names must correspond to the
species names used in the chemical mechanism that is built into the UAM system.
The required species names and definitions for version IV of the Carbon-Bond
Mechanism are given in Table 5-3. All the species in Table 5-3 except SO2, SO4,
MEOH, ETOH, and ISOP must appear (though not necessarily in the order listed) and
all must be flagged as reactive. These optional species, if included, must also be
flagged as reactive. Any other reactive species are disregarded, since no reactions
for them are defined in CB-IV. However, any other unreactive species can be speci-
fied, up to a total of 30 species.
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TABLE 5-3. Reactive species names in the CB-IV chemical mechanism
that are input in the SPECIES packet.
Species Name
NO
N02
03
ETH
OLE
PAR
TOL
XYL
FORM
ALD2
CRES
MGLY
OPEN
PNA
MXOY*
PAN
CO
HONO
H202
HN03
MEOH**
ETOH**
ISOP**
302***
304***
Species Description
nitric oxide
nitrogen dioxide
ozone
ethane (CH2=CH2)
olefinic carbon bond (C=C)
paraffinic carbon bond (C-C)
toluene (C6H5-CH3)
xylene (C6Hr(CH3)2)
formaldehyde (CH,=0)
higher molecular weight aldehydes iRCHO, R>H)
creosols and higher molecular weight phenols
methylglyoxal (CH3C(0)C(0)H)
higher molecular weight aromatic oxidation
ring fragment
peroxy nitric acid (H02N02)
"ocai nitrogen compounds
peroxyacyl nitrate (CH-nOJOONO?)
^ '—
carbon nonixide
nitrous acid
hydrogen peroxide
nitric acid
methanol
ethanol
isoprene
sulfur dioxide
sulfate
* Total nitrogen compounds consist 'of NO, N02, N20c (dinitrogen
pentoxide), and NOo (nitrogen trioxide).
** Optional species, usually included.
*** Optional species, usually not included.
J--L
-------
The species names in UAM input files with species-varying data must also correspond
to the names in the CHEMPARAM file. If a name that is not in the CHEMPARAM
file appears in a data file, the data for that species will be ignored. If a name in the
CHEMPARAM file does not appear in a data file, the following default values apply:
• For concentration data (from AIRQUALITY, BOUNDARY, or TOPCONC), the
steady-state lower bound values will be used (see line 3 of the SPECIES packet).
For emissions data (from EMISSIONS, or PTSOURCE), the value zero will be
used.
REACTIONS
If the number of reactions specified in the CONTROL packet is greater than zero, a
REACTIONS packet must follow 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 (Table 5-4).
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., 'P1 is specified in
column 21), the reaction is photolytic. If the photolysis field is not 'P' and the
reaction rate constant and activation energy are nonzero, the reaction is tempera-
ture-dependent, and a nonzero value for the reference temperature must be pro-
vided. If the reaction rate constant or the activation energy is zero, the reaction is
considered to be not temperature dependent. For the temperature-dependent
calculations to be performed, a surface temperature file (TEMPERATUR) must be
included in the simulation. The reaction rates, activation energies, and reference
temperatures appropriate for CB-IV are listed in the sample input in Exhibit 5-1.
They are unique to the current version of CB-IV and should not be altered by the
user.
30008
118
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CHEMPARAM
COEFFICIENTS
Since coefficients are not used in the CHEMPARAM fiie for CB-IV, the
COEFFICIENTS packet is not used. Thus the number of coefficients specified in the
CONTROL packet (line 4) is zero. It is unlikely that the user will ever need a
COEFFICIENTS packet. However, 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). The COEFFICIENTS packet consists of a header card, one
card for each coefficient, and a packet terminator (Table 5-5).
Exhibit 5-1 shows an example of the input data used to create a CHEMPARAM file
for use in a UAM(CS-IV) photochemical simulation. The inputs should be used as
shown except that any of the species MEOH, ETOH, and ISOP may be removed (with
an appropriate adjustment to the number of species). The user must ensure that
emissions splits are appropriate for the set of species selected (see Volume IV).
For a simulation of inert species the number of reactions is set to zero and the
REACTIONS packet is removed. All species must then be flagged unreactive; the
number and names of the species is up to the user.
5.1.3 CPREP Output
The printed output for the example CPREP run is given in Exmbit 5-2.
30008 .3
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CHEMPARAM
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SIMCONTROL
5.2 THE SIMULATION CONTROL FILE (SIMCONTROL)
The simulation control file, SIMCONTROL, is generally the last input file to be pre-
pared, and is the input file likely to be modified most frequently. It can be prepared
as a separate job step within each UAM run or it can be prepared prior to running the
UAM. Data for this file are prepared by the preprocessing program SPREP.
5.2.1 Simulation Control Processor (SPREP)
The SPREP preprocessing program (Figure 5-2) requires as input a CONTROL and a
SIMULATION packet. The printed output from SPREP consists of input numbers,
arror messages. If any, and the values written to the SIMCONTROL file. SPREP
reads from unit 5 and writes printable output to unit 6 (standard input and output on
UNIX systems). It takes the name of the output file as an argument on the command
line. The file itself is written to FORTRAN Unit 1, and the file format is given in
Volume I.
5.2.2 SPREP Input Format
A CONTROL packet (Table 5-6) is used to create the SIMCONTROL file. The
SIMULATION packet (Table 5-7) must follow the CONTROL packet.
The example input to SPREP (Exhibit 5-3) directs the UAM to initialize the simula-
tion at noon on June 3, 1984 (the 155th day of 1984). Note that this is not a restart
of the model since the restart flag is FALSE. Because the instantaneous file
(INSTANT) that is output from the UAM contains instantaneous concentration values
for the start of each hour for each species simulated, :he UAM can be "restarted"
using these UAM-calculated concentrations as initial conditions rather than the
initial concentrations contained in the AIRQUALITY file. A simulation may need to
be restarted, for example, if there is a hardware failure or insufficient disk space to
write out further results. The entire simulation does not have to be re-run; rather,
the simulation can be restarted at the last or next to last completed hour of the
simulation depending on the reason for the premature termination of the
90003
-------
Input Data File
CONTROL
•
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SIMULATION
END
(6)
Printed
values
(20)
SIMCONTROL
(binary)
FIGURE 5-2. Information flow for creation of the SIMCONTROL file
(numbers in parentheses are FORTRAN file unit numbers).
134
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