MARCH 1985
     SAI AIRSHED MODEL OPERATIONS MANUALS

          Volume I -- User's Manual
   ATMOSPHERIC SCIENCES RESEARCH LABORATORY
      OFFICE OF RESEARCH AND DEVELOPMENT
     U.S. ENVIRONMENTAL PROTECTION AGENCY
RESEARCH TRIANGLE PARK, NORTH CAROLINA  27711

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     SAI AIRSHED MODEL OPERATIONS MANUALS

          Volume I — User's Manual
                      by
J. Ames, T.C. Myers, L.E. Reid, D.C. Whitney,
 S.H. Golding, S.R. Hayes, and S.D. Reynolds
      Systems Applications, Incorporated
            101 Lucas Valley Road
        San Rafael, California  94903
           Contract No. 68-02-2429
               Project Officers

             Kenneth L.  Demerjian
              Kenneth L. Schere
     Meteorology and Assessment Division
   Atmospheric Sciences Research Laboratory
Research Triangle Park, North Carolina  27711
   ATMOSPHERIC SCIENCES RESEARCH LABORATORY
      OFFICE OF RESEARCH AND DEVELOPMENT
     U.S. ENVIRONMENTAL PROTECTION AGENCY
RESEARCH TRIANGLE PARK, NORTH CAROLINA  27711

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                        NOTICE

     The information in this document has been funded
wholly or in part by the United States Environmental
Protection Agency under Contract No. 68-02-2429 to
Systems Applications, Inc.  It has been subject to the
Agency's peer and administrative review, and it has
been approved for publication as an EPA document.
Mention of trade names or commercial products does
not constitute endorsement or recommendation for use.
                          n

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                                ABSTRACT

      This report presents  a general  view of the  Systems  Applications,  Inc.
 (SAI) Airshed Model  as  well  as  detailed  operating  instructions  for  the
 user.  Included are  discussions of all the files needed  to  run  the  model,
 the data  preparation programs that produce each  file,  the  input formats
 and data  preparation methods, samples  of input and output,  and  information
 flow diagrams that illustrate the  job  stream control on  any computer.
                                                                    •
      Chapter II presents a technical summary of  the SAI  Airshed Model;
 Chapter III  contains an overview of the  model as a system of computer  pro-
 grams,  outlining the five  main  functions that must be  performed by  users
 and programs together.   Chapter IV discusses some  of the concepts and  terms
 basic to  an  understanding  of the system, followed  in Chapter V  by descrip-
 tions of  the job control notations that  will  be  used throughout this manual.
 Chapters  VI  through  XI  examine  in  detail the five  main functions of the
 system, providing input and output definitions and examples,  and job control
 diagrams  for each program  that  must be exercised.

      The  Systems Manual, the companion to the User's Manual,  describes
 the system from a programmer's  point of  view.  Included  are descriptions of
 all subroutines and  how they fit together, run-time core allocation tech-
 niques, internal  methods of segment handling using secondary storage,  and
 detailed  structure definitions  of  all  files in the system.   The Systems
 Manual  also  discusses procedures for implementing  the  programs  on differ-
 ent computers,  and the  addition, removal,  or replacement of computing
 algorithms and  data  preparation methods.

      This report was submitted  in  fulfillment of Contract No. 68-02-2429
 by Systems Applications, Inc. under the  sponsorship of the  U. S. Environ-
 mental  Protection Agency.   The  report  covers the period  from 23  August
1976 to 15 September  1979;  work  was  completed as of 15 September 1979.
                                   Ill

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                       ACKNOWLEDGMENTS
     The appearance  of this manual is the result of the efforts  of the
production staff at  Systems Applications, Incorporated.  The contri-
butions of S.  Bennett, N. Bubb, M. Davis, L. Hill, J.  Roark, and
C.  Smith to the  typing,  graphic arts, and assembly of this manual  are
gratefully acknowledged.

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                               CONTENTS

ABSTRACT	iii

ACKNOWLEDGMENTS  	   iv

LIST OF FIGURES	    x

LIST OF TABLES	    xi-;i

LIST OF EXHIBITS	     xvi

LIST OF ABBREVIATIONS	     xix

  I   INTRODUCTION  	     1-1

 II   THE SAI AIRSHED MODEL	    II-l

      A.   The Technical Features of the SAI Airshed Model   ....    II-3

           1.   Treatment of Atmospheric Chemistry	    II-5
           2.   Treatment of Advective Pollutant Transport   ....    II-6
           3.   Treatment of Turbulent Diffusion  	    II-6
           4.   Treatment of Other Microscale Phenomena 	    II-7
           5.   Treatment of Surface Removal Processes  	    II-8
           6.   Other Technical  Features  .  . '	    II-8

      B.   Model Usage	    II-9
      C.   Model Applications 	   11-16

III   OVERVIEW OF THE SYSTEM	   III-l

      A.   M.E.B. Data File Preparation	   III-4
      B.   M.E.B. Data File Segmentation	   III-7
      C.   Control  Data Preparation	   III-8

      D.   Airshed Simulation 	   111-10
      E.   Display and Analysis 	   111-10

 IV   DEFINITION OF SYSTEM CONCEPTS 	     IV-1

      A.   The Modeling Region (Grid)  	     IV-1

           1.   Horizontal  Distribution of Grid  Cells 	     IV-1
           2.   Vertical Distribution  of Grid Cells	     IV-6

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CHAPTER IV (Continued)


       B.    Chemical  Species 	  XV-10

       C.    Time	IY-10

       D.    Segmentation	IV-11

       E.    Time Slices and Integration Time Steps  	  IV-13

  V    JOB CONTROL SPECIFICATIONS  	    V-l

       A.    Information Flow Diagrams	    V-l

       B.    Program Worksheet  	    V-3

       C.    File Characteristics	    V-3

 VI    PACKETS USED IN CREATING THE  M.E.B.  Files	   VI-1

       A.    Elements  of Packet Construction  	   VI-1

            1.   Rules for Card Format	   VI-3
            2.   The  Reserved Word ALL	   VI-4
            3.   Persistence of Data	   VI-5
            4.   Units of Measure  	   VI-6
            5.   Variables	   VI-6
            6.   Methods	   VI-7
            7.   Vertical  Methods  	  VI-16 .

       B.    Packet Rules and Formats	VI-23

            1.   CONTROL Packet Rules   	  VI-23
            2.   REGION Packet Rules 	  VI-32
            3.   UNITS Packet Rules	VI-37
            4.   STATIONS Packet  Rules 	  VI-47
            5.   POINT SOURCES Packet  Rules	VI-50
            6.   BOUNDARIES Packet Rules 	  VI-54
            7.   TIME INTERVAL Packet  Rules	VI-58
            8.   SUBREGION Packet Rules  	  VI-61
            9.   METHOD Packet Rules 	  VI-65
           10.   VERTICAL METHOD  Packet Rules  	  VI-69
           11.   CONSTANTS Packet Rules  	  VI-73
           12.   GRID VALUES Packet  Rules	VI-76
           13.   STATION READINGS Packet Rules  	  VI-79
           14.   EMISSIONS VALUES Packet Rules  	  .....  VI-82
           15.   EMISSIONS FACTORS Packet  Rules	VI-85
           16.   BOUNDARY READINGS Packet  Rules   	  ...  VI-88
           17.   SCALARS Packet Rules   	  VI-91
           18.   VERTICAL PROFILES Packet  Rules   	  VI-94
                                       VI

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VII   M.E.B. FILE PREPARATION RULES AND EXAMPLES 	  VII-1

      A.   AIRQUALITY	  VII-3

           1.   Variables	  VII-3
           2.   Methods	  VII-3
           3.   Time Variation	  VII-5
           4.   Packets	  VII-6
           5.   Additional  Input Files 	 VII-10
           6.   Examples 	 VII-11

      B.   BOUNDARY	VII-30

           1.   Variables  	 VII-30
           2.   Methods  	 VII-30
           3.   Time Variations  	 VI1-32
           4.   Packets	VII-32
           5.   Additional  Input Files 	 VII-37
           6.   Examples   	 VII-37
      C.   DIFFBREAK 	 VI1-56

           1.   Variables  	 VI1-56
           2.   Methods  	 VII-56
           3.   Time Variation	VII-58
           4.   Packets  	  VII-58
           5.   Additional  Input Files 	  VII-62
           6.   Examples 	  VI1-63

      D.   EMISSIONS   	 VI1-69
           1.   Variables  	 VII-69
           2.   Methods  	 VII-69
           3.   Time Variation	VII-71
           4.   Packets  	  VII-71
           5.   Additional  Input Files 	 VII-71

      E.   METSCALARS	VII-73
           1.   Variables  	 VII-73
           2.   Methods	". . viI-75
           3.   Time Variations  	 VII-75
           4.   Packets  	 VII-75
           5.   Additional  Input Files 	 VII-78
           6.   Examples 	 VII-78
      F.   PTSOURCE	VII-82

           1.   Variables  	 VII-82
           2.   Methods	VI1-84
           3.   Time Variation	 viI-84
           4.   Packets  	 VII-85
           5.   Additional  Input Files 	 VII-89
           6.   Examples 	 VII-89

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G.   REGIONTOP  	   VII-100

     1.  Variables  	   VII-100
     2. . Methods  	   VII-100
     3.  Time Variation 	   VII-102
     4.  Packets  	   VII-102
     5.  Additional  Input Packets 	   VII-106
     6.  Examples 	   VII-107

H.   ROADWAY	   VII-113

     1.  Variables  	  	   VII-113
     2.  Methods	   VII-113
     3.  Time Variation	   VI1-115
     4.  Packets	,.	   VII-115
     5.  Additional  Input Files 	„  	   VII-115

I.   TEMPERATURE  	   VII-117

     1.  Variables  	   VII-117
     2.  Methods  	   VII-117
     3.  Time Variation	   VII-119
     4.  Packets  	   VII-119
     5.  Additional  Input Files 	  .  	   VI1-123
     6.  Examples 	   VI1-123

J.   TERRAIN	   VLI-131

     1.  Variables  	   VII-131
     2.  Methods  	   VII-131
     3.  Time Variation 	   VII-133
     4.  Packets  	   VII-133
     5.  Additional  Input Files 	   VII-137
     6.  Examples 	   VII-137
K.   TOPCONC  	   VI1-143

     1.  Variables  	   VII-143
     2.  Methods	   VII-143
     3.  Time Variation 	   VI1-145
     4.  Packets	   VII-145
     5.  Additional  Input Files 	   VII-15Q
     6.  Examples	   VI1-150

 L.  WIND	   VII-156

     1.  Variables	  .  .  .   VII-156
     2.  Methods	   VII-156
     3.  Time Variation	   VI1-158
     4.  Packets	   VI1-158
     5.  Additional  Input Files ..	   VI1-164
     6.  Examples	   VII-164
                                    VTM

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VIII   SEGMENTATION OF M.E.B. FILES  	  VIII-1

       A.   Calculating Core Requirements  	  VIII-1

            1.   Segment Table 	  VIII-2
            2.   Local Table 	  VIII-2
            3.   Boundary Table  	  VIII-4
            4.   Segment Scratch Table 	  VIII-4
            5.   A Sample Problem  	  VIII-5

       B.   The File Segmentation Program  	  VIII-9

            1.   The SEGMENTDEF Packet 	 VIII-14
            2.   The SEGMENT FILE Packet	VIII-18

  IX   PREPARATION OF CONTROL DATA	    IX-1

       A.   The Chemistry Parameters File	    IX-1
            1.   CONTROL Packet Rules for the CHEMPARAM File ....    IX-1
            2.   SPECIES Packet Rules for the CHEMPARAM File .  .  .  .    IX-5
            3.   REACTIONS Packet Rules for the CHEMPARAM File  .  .  .  IX-12
            4.   COEFFICIENTS Packet Rules for the CHEMPARAM File  .  IX-23
            5.   CPREP Sample Input and Cutout 	  IX-28

       B.   The Simulation Controls File	  IX-36

            1.   CONTROL Packet Rules for the SIMCONTROL File  .  .  .  IX-36
            2.   SIMULATION Packet Rules for the SIMCONTROL File  .  .  IX-36
            3.   SPREP Sample Input and Output 	  IX-49

   X   AIRSHED SIMULATION  	    X-l

       A.   Job Control  	    X-l
            1.   Input Files	    X-5
            2.   Scratch Files	    -X-5
            3.   Output Files	    X-5
       B.   Printed Output	    X-6

       C.   Error Conditions 	  X-31

  XI   DISPLAY AND ANALYSIS	  XI-1

       A.   Capabilities of the Display Program  	  XI-1
       B.   Input Required by the Display Program  	  XI-2

            1.   Data File Input	  XI-2
            2.   Card Input	  XI-4

       C.   Output Produced by the Display Program 	  XI-11

 REFERENCES	    R-l
                                   IX

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                             ILLUSTRATIONS
Number                                                                      Page
 II-l    Schematic Illustration of the Grid Used and Treatment
         of Atmospheric Processes in the SAI Airshed Model	11-4
 II-2    Example of a Printed Map of Ground-Level  Concentration
         Predictions	11-10
 II-3    Example of Plots Illustrating Model Predictions  and
         Actual  Measured Concentrations  	  11-11
 I1-4    Example of a Plotted Contour Map of Ground-Level
         Concentration Predictions 	  11-12
 II-5    Example of the Results of a Population Exposure
         Analysis:  Denver	11-13
 II-6    Sample  Results of Phase Ill—Simulation of Emission
         Control Scenarios 	  11-15
 II-7    Contour Plot Illustrating the Predicted Effect of  a
         Control Strategy  	  11-17
III-l    Airshed Simulation Program with Input and Output Files  	  III-2
III-2    Information Flow in the SAI Airshed Model  System	III-3
 IV-1    Example of a Modeling Region That Includes the Required
         Boundary Cells  	   IV-3
 IV-2    54 Mile by 54 Mile Modeling Region of Los Angeles  Basin 	   IV-3
 IV-3    Example of the Location of a Modeling Region with  Respect
         to a Reference Origin	   IV-4
 IV-4    Conventional Method for Numbering Grid Cells  	   IV-5
 IV-5    Various Vertical Cell Distributions That Can Be  Employed
         in the  SAI Airshed Model  	IV-8
 IV-6    Example of the Segmentation of a Region	IV-12
  V-l    Example of an Information Flow Diagram for Use in
         Job Control	    v'2
 VI-1    Definition of Boundary Line Segments  	  VI-55

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Number
m.i
VII-2
VII-3
VII-4
VII-5
VII-6
VII-7
VII-8
VII-9
VII-10
vii-n
VII-12
VII-13
VII-14
VII-15
VII-16
VII-17
VII-18
VII-19
VII-20
VII-21
VII-22
m-23
VII-24

Information Flow Diagram for the AIRQUALITY File 	
Input Card Deck Structure for Preparing the AIRQUALITY File.
Information Flow Diagram for the BOUNDARY File 	
Input Card Deck Structure for Preparing the BOUNDARY File. .
Information Flow Diagram for the DIFFBREAK File 	
Input Card Deck Structure for Preparing the DIFFBREAK File .
Information Flow Diagram for the EMISSIONS File 	
A Possible Input Card Deck Structure for Preparing
the EMISSIONS File 	
Information Flow Diagram for the METSCALARS File 	 	
Input Card Deck Structure for Preparing the METSCALARS File
Information Flow Diagram for the PTSOURCE File 	
Input Card Deck Structure for Preparing the PTSOURCE File .
information Flow Diagram for the REGIONTOP File 	
Input Card Deck Structure for Preparing the REGIONTOP File .
Information Flow Diagram for the ROADWAY File 	
A Possible Input Card Deck Structure for Preparing the
ROADWAY File 	
Information Flow Diagram for the TEMPERATUR File 	
Input Card Deck Structure for Preparing the TEMPERATUR File
Information Flow Diagram for the TERRAIN File 	
Input Card Deck Structure for Preparing the TERRAIN File . .
Information Flow Diagram for the TOPCONC File 	
Input Card Deck Structure for Preparing the TOPCONC File . .
Information Flow Diagram for the WIND File 	
Input Card Deck Structure for Preparing the WIND File ...
Page
m-4
VII-7
VII-31
VII-33
VII-57
VII-59
VII-70
VII-72
VII-74
VII-76
VII-83
VII-86
VII-101
VII-103
VII-H4
VII-116
VII-118
VII-120
VII-132
VII-134
VII-144
VII-146
VII-157
VII-159

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Number                                                                     Page
VIII-1    Sample Region—Unsegmented	  VI11-6
VIII-2    Sample Region Divided into Two Segments 	 	  VIII-8
VIII-3    Sample Region Divided into Three Segments .... 	 VIII-11
VIII-4    Information Flow Diagram for the File Segmentation Program  .  . VIII-13
  IX-1    Information Flow Diagram for Use in Creation of the
          GHEMPARAM File    	    IX-2
  IX-2    Information Flow Diagram for Use in .Creation of the
          SIMCONTROL File	   IX-37
   X-l    Information Flow Diagram for the Airshed Simulation Program .  .     X-2
  XI-1    Information Flow Diagram for the Display Program	    XI-3
                                     xii

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                            TABLES
Number                                                                Page
II-l

III-l
III-2
V-l
V-2
VI-1

VI-2

VI-3
VI-4
VI-5

VI-6
VI-7

VI-8
VI-9
VI-10
VI-11
VI-12
VI-13
VI-14
Applications of the SAI Airshed Model To Study Air Quality
in Urban Areas 	
M.E.B. Data Files 	
Airshed Simulation Program Control Files 	
Header Record Lengths for the SAI Airshed Model Data Files . .
Characteristics of the SAI Airshed Model Data Files 	
Packets Used by the SAI Airshed Model Data
Preparation Programs 	
Standard Entries for Cards 4 Through 8 of the CONTROL
Packet for M.E.B. Files 	
Control Packet for M.E.B. Files 	
REGION Packet for M.E.R. Files 	
Implicit Variable Names and Internal Units Used in the
SAI Airshed Model 	
Standard Unit Conversions 	
Standard Species Names and Molecular Weights Used for
Unit Conversion 	
UNITS Packet for M.E.B. Files 	
STATIONS Packet for M.E.B. Files 	
POINT SOURCES Packet for the PTSOURCE File 	
BOUNDARIES Packet for the BOUNDARY File 	
TIME INTERVAL Packet FOR M.E.B. Files 	
SUBREGION Packet for M.E.B. Files 	
METHOD Packet for M.E.B. Files 	 	

11-22
III-5
III-9
V-6
V-7

VI-2

VI-24
VI-25
VI-33

VI-38
VI-39

VI-42
VI -44
VI -48
VI-51
VI-56
VI-59
VI-63
VI-66
                                  xm

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Number                                                                    Page
 VI-15    VERTICAL METHOD Packet for M.E.B. Files  	    VI-70
 VI-16    CONSTANTS Packet for M.E.B. Files  	    VI-74
 VI-17    GRID VALUES Packet for M.E.B. Files  	    VI-77
 VI-18    STATION READINGS Packet for M.E.B. Files 	    VI-80
 VI-19    EMISSIONS VALUES Packet for the PTSOURCE File	    VI-83
 VI-20    EMISSIONS FACTORS Packet for the PTSOURCE File 	    VI-86
 VI-21    BOUNDARY READINGS Packet for the BOUNDARY File 	    VI-89
                                                           •
 VI-22    SCALARS Packet for the METSCALARS File	    VI-92
 VI-23    VERTICAL PROFILES Packet for M.E.B. Files  	    VI-95
 VII-1    CONTROL Packet Entries for the AIRQUALITY File 	    VII-8
 VI1-2    CONTROL Packet Entries for the BOUNDARY File 	   VI1-34
 VII-3    CONTROL Packet Entries for the DIFFBREAK File  	   VII-60
 VII-4    CONTROL Packet Entries for the METSCALARS File 	   VII-77
 VII-5    CONTROL Packet Entries for the PTSOURCE File 	   VII-87
 VII-6    CONTROL Packet Entries for the REGIONTOP File  	   VII-104
 i
 VII-7    CONTROL Packet Entries for the TEMPERATURE File  	   VII-121
 VII-8    CONTROL Packet Entries for the TERRAIN File  	   VII-135
 VII-9    CONTROL Packet Entries for the TOPCONC File  	   VI1-147
VII-10    CONTROL Packet Entries for the WIND File 	   VII-161
YIII-1    CONTROL Packet Entries for File Segmentation 	     VIII-15
VIII-2    Contents of SEGMENTDEF Packet Cards	VIII-16
VIII-3    Contents of SEGMENT  FILE Packet Cards  	   VIII-19
  IX-1    CONTROL Packet for the CHEMPARAM File	     IX-3
  IX-2    SPECIES Packet for the  CHEMPARAM File	     IX-6
  IX-3    REACTION Packet for the  CHEMPARAM File	     IX-13
                                   xiv

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Number                                                                   Page
 IX-4   COEFFICIENTS Packet for the CHEMPARAM File	     IX-24
 IX-5   CONTROL Packet for the SIMCONTROL File	   IX-38
 IX-6   SIMULATION PACKET for the SIMCONTROL File	   ix-4Q
  X-l   Input File Assignments 	     X-3
  X-2   Scratch File Assignments	     X-4
  X-3   Output File Assignments	     X-4
  X-4   Airshed Simulation Program Error Conditions  	    X-32
 XI-1   Display Program Control Input Definition 	    XI-5
                                    xv

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                             EXHIBITS
Number                                                                  Page
  V-l    Sample SAI Airshed Model Program Worksheet for Use
         in Job Control	  V-4
 VI-1    CONTROL Packet Format 	  VI-31
 VI-2    REGION Packet Format  	  VI-36
 VI-3    UNITS Packet Format 	  VI-46
 VI-4    STATIONS Packet Format	VI-49
 VI-5    POINT SOURCES Packet Format 	  VI-53
 VI-6    BOUNDARIES Packet Format  	  VI-57
 VI-7    TIME INTERVAL Packet Format 	  VI-60
 VI-8    SUBREGION Packet Format 	  VI-64
 VI-9    METHOD Packet Format  	  VI-68
VI-10    VERTICAL METHOD Packet Format	VI-72
VI-11    CONSTANTS Packet Format 	  VI-75
VI-12    GRID VALUES Packet Format   	VI-78
VI-13    STATION READINGS Packet Format  	  VI-81
VI-14    EMISSIONS VALUES Packet Format  	  VI-84
VI-15    EMISSIONS FACTORS Packet Format 	  VI-87
VI-16    BOUNDARY READINGS Packet Format 	  VI-90
VI-17    SCALARS Packet Format 	 ........  VI-93
VI-18    VERTICAL PROFILES Packet Format   	 ....  VI-97
VII-1    Sample Input Deck for the AIRQUL Program  	 .... VII-12
VII-2    Sample Output From the AIRQUL Program 	 .... VII-18
VII-3    Sample Input Deck for the BNDARY Program  	 .... VII-38
                                    xvi

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Number                                                                      Page
 VI1-4    Sample Output from BNDARY Program  	 VI1-41
 VII-5    Sample Input Deck for the DFNSBK Program 	 VII-64
 VII-6    Sample Output from the DFNSBK Program  	 VII-66
 VII-7    Sample Input Deck for the METSCL Program 	 VI1-79
 VI1-8    Sample Output from the METSCL Program	VII-80
 VII-9    Sample Input Deck for the PTSRCE Program 	 VII-90
VII-10    Sample Output from the PTSRCE Program  	 VII-93
VII-11    Sample Input Deck for the REGNTP Program 	 VII-108
VII-12    Sample Output from the REGNTP Program	'.	VII-110
VII-13    Sample Input Deck for the TMPRTR Program	VII-124
VII-14    Sample Output from the TMPRTR Program  	 VI1-128
VII-15    Sample Input Deck for the TERAIN Program 	 VII-138
VII-16    Sample Output from the TERAIN Program	VII-140
VI1-17    Sample Input Deck for the TPCONC Program	VM-151
VII-18    Sample Output from the TPCONC Program  	 VII-153
VII-19    Sample Input Deck for the MINDSET Program    	 VII-165
VII-20    Sample Output from the WINDSET Program 	 VII-170
VIII-1    Storage Requirements Worksheet	VIII-3
VIII-2    Worksheet Filled Out for an Unsegmented Region	VI11-7
VIII-3    Worksheet Filled Out for a Two-Segment Region  	 VIII-10
VIII-4    Worksheet Filled Out for a Three-Segment Region  	   VIII-12
VIII-5    SEGMENTDEF Packet Format 	 VIII-17
VIII-6    SEGMENT FILE Packet Format 	 VIII-20
VIII-7    Sample Input to the File Segmentation Program  	 VII1-21
VIII-8    Sample Output from the File Segmentation Program 	 VIII-22
                                   xvn

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Number                                                                     Page
 IX-1    CONTROL Packet Format for the CHEMPARAM File	    IX-4
 IX-2    SPECIES Packet Format for the CHEMPARAM File  	  	    IX-8
 IX-3    SPECIES Definition Worksheet  	  	   IX-10
 IX-4    REACTIONS Packet Format for the CHEMPARAM File	IX-15
 IX-5    REACTIONS Definition Worksheet	   IX-16
 IX-6    COEFFICIENTS Packet Format for the CHEMPARAM File .  „  	   IX-25
 IX-7    COEFFICIENTS Definition Worksheet 	  	   IX-26
 IX-8    Sample CPREP Input for the CHEMPARAM File	   IX-29
 IX-9    Sample CPREP Output for the CHEMPARAM File  .  .  . .	   IX-31
IX-10    CONTROL Packet Format for the SIMCONTROL File	   IX-39
IX-11    SIMULATION Packet Format for the SIMCONTROL File  	   IX-48
IX-12    Sample SPREP Input for the SIMCONTROL File	IX-50
IX-13    Sample SPREP Output for the SIMCONTROL File	IX-51
  X-l    Annotated Excerpt of Output from an Airshed Simulation
         Program Run	     X-8
  X-2    Sample Crash Output from the Airshed Simulation  Program ....    X-27
 XI-1    Sample Input for the Display Program  	   XI-10
 XI-2    Standard Display Program Header Page  	   XI-12
 XI-3    Sample Vertical Concentration Profile Output—Prediction Mode .   XI-13
                                                          •
 XI-4    Sample Ambient Concentration Maps—Prediction Mode  	   XI-14
                                   xviii

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                ABBREVIATIONS

act             activation
add             additive
b               boundary
bd              bound
beg             beginning
B.T.            Boundary Table
chem            chemistry
coeff           coefficient
col             col umn
cone            concentration
const           constant
crit            criterion
dark            darkness
diam            diameter
fact            factor
ht              height
i               initial
iter            iteration
LBL             Lawrence Berkeley Laboratory
loc             location
low             lower
L.T.            Local Table
max             maximum
M.E.B.          meteorology,  emissions,  and initial
                and boundary  conditions
meth            method
min             minimum
molec           molecular
mult            multiplicative
num             numerical
param           parameter
                  xix

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pr              print
prof            profile
pt              point
srce            source
reac            reaction
ref             reference
rel             relative
resis           resistance
spec            species
S.S.T.          Segment Scratch Table
S.T.            Segment Table
stn             station
st-st           steady-state
subreg          subregion
surf            surface
temp            temperature
to!             tolerance
u-def           user-defined
up              upper
UTM             Universal Transverse Mercator
val             value
var             variable
vartn           variation
vel             velocity
vert            vertical
wt              weight
                     xx

-------
                            I     INTRODUCTION

     This report presents a general view of the Systems Applications, Inc.
(SAI) Airshed Model as well as detailed operating instructions for the
user.  Included are discussions of all the files needed to run the model,
the data preparation programs that produce each file, the input formats
and data preparation methods, samples of input and output, and information
flow diagrams that illustrate the job stream control on any computer.

     Chapter II presents a technical summary of the SAI Airshed Model;
Chapter III contains an overview of the model as a system of computer pro-
grams, outlining the five main functions that must be performed by users
and programs together.  Chapter IV discusses some of the concepts and terms
basic to an understanding of the system, followed in Chapter V by descrip-
tions of the job control notations that will be used throughout this manual.
Chapters VI through XI examine in detail the five main functions of the
system, providing input and output definitions and examples, and job control
diagrams for each program that must be exercised.

     The Systems Manual, the companion to the User's Manual, describes
the system from a programmer's point of view.  Included are descriptions of
all subroutines and how they fit together, run-time core allocation techniques,
internal methods of segment handling using secondary storage, and detailed
structure definitions of all files in the system.  The Systems Manual also
discusses procedures for implementing the programs on different computers,  and
the addition, removal, or replacement of computing algorithms and data pre-
paration methods.
                                   1-1

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                     II   THE SAI AIRSHED  MODEL
     Systems Applications, Incorporated (SAI)  designed its Airshed
Model to calculate the concentrations of both  reactive and inert air  pollu-
tants through simulation of the numerous  physical and  chemical processes
that take place in the atmosphere.   Much  of tne current interest in
the model arises from the need to calculate ozone concentrations as a
part of various environmental  assessment  studies (such as federally
required State Implementation  Plans and New Source  Reviews).  The
results of recent evaluation and applications  studies  indicate that the
SAI Airshed Model provides a sound, practical, and  effective means
for analyzing a variety of regional air quality problems.

      Interactions  among organic  compounds  (including  pure and oxygen-
 ated hydrocarbons  and  other hydrocarbon derivatives)  and nitrogen oxides
 (NO )  are  usually  responsible  for  the  relatively high ozone concentrations
 observed in  and  downwind of urban  areas.  Among the main factors affecting
 photochemical  air  quality in urban areas are:

      >  The  spatial  and temporal distribution of emissions of NOX
         and  organic  species.
      >  The  composition of the emitted organic  species.
      >  The  spatial  and temporal variations of  the wind field.
      >  The  stability  of the atmosphere and the associated
         dynamics of  the mixing layer.
      >  The  chemical reactions involving organic species and NOX.
      >  The  diurnal  variations of  ultraviolet radiation.
      >  The  loss of  ozone and  its  precursors  by surface uptake
         processes.
      >  The  ambient  background concentrations of ozone, organic
         species, and NOX immediately upwind of the urban area and
         within an  elevated inversion layer.
                                   II-l

-------
Thus, development of an accurate ozone prediction relationship requires
investigation of the relevant physical and chemical atmospheric phenomena
that Influence the magnitude and distribution of both ozone and its
precursors.

     To limit ozone concentrations, one must control all  or part of the
ozone formation process.  Practically, man has the most influence on
anthropogenic emissions.  If ozone concentrations were proportional to
emissions of organic compounds or NOX» ft would be simple to calculate
the reduction in anthropogenic emissions necessary to achieve a desired
reduction in ozone concentrations.  But the relationship  between ozone
air quality and emissions of NO  or orqam'c species is complicated and
nonlinear.  Furthermore, the relationship changes with location and even
with time at a given location because of variations in emissions, meteor-
ology, and other factors.

     To make available an appropriate quantitative treatment of this
relationship, the U.S. Environmental Protection Agency (EPA) has, through
a multiyear research effort, supported the development of the SAI Airshed
Model.  Initial model development efforts and applications (to the Los
Angeles area) are fully described in a 15-volume series of reports by Roth
et al. (1971) and Reynolds et al. (1973a).  These reports are summarized
in the three papers by Reynolds et al. (1973b, 1974) and  Roth et al. (1974).
Evaluation of the model's predictions and its components  at that time
showed that improved treatments of some physical and chemical processes
were necessary.  As a result, another series of research  efforts was
carried out to improve the model.  These efforts are described in a 7-volume
series of reports by Jerskey and Seinfeld (1976), Jerskey et al. (1976),
Killus et al. (1977), Lamb (1976), Lamb et al. (1977), Liu et al. (1976a),
and Reynolds et al. (1976), and in the papers by Lamb et al. (1975),
Liu and Seinfeld (1975), Liu et al. (1976b), and Reynolds (1977).  A
summary of the technical features included in this model  is given in
the report by Reynolds et al. (1982).
                                 II-2

-------
A.   THE TECHNICAL FEATURES OF THE SAI AIRSHED MODEL

     The SAI Airshed Model can simulate the dynamic behavior of up to 20
                                                                          •
pollutants.  When photochemical simulations are carried out, VI species
must be included:  nitric oxide (NO), nitrogen dioxide (N02), ozone (03),
single-bonded carbon atoms (PAR), double-bonded carbon atoms except
ethylenes (OLE), aromatic-bonded carbon atoms (ARO), carbonyl-bonded
carbon atoms, ethylene, benzaldehyde (BZA), peroxyacetyl  nitrate (PAN),
and carbon monoxide. (CO).  In addition, the model  can provide predictions
of S02 and aerosol.*  The user can exercise any of the following options
with respect to the pollutants to be simulated:

     > Up to 20 unreactive pollutants.
     > Photochemical species, CO,   and op  to 9 other unreactive
       pol1utants.
     > Photochemical species, CO, S02» and up to 8 other un-
       reactive pollutants.
                                               §
     > Photochemical species, CO, S02» aerosol, and up to  7
       other unreactive pollutants.
     > Photochemical species, CO, aerosol,** and up to 8 other
       unreactive pollutants.

As illustrated in Figure II-l, simulations are performed on a three-
dimensional grid selected by the user to cover the region of interest.
Figure II-l also shows the various atmospheric processes treated in each
grid cell.  The base of an elevated inversion layer, is often selected as
the top of the grid, but the model includes provisions to facilitate treat-
ment of the inversion layer itself.  The model's computer codes can handle
any number of cells in the horizontal and vertical directions..
  •* The aerosol  component Includes emitted particulates  and organic,
    nitrate, and sulfate aerosols  formed 1n the atmosphere.,
  t Photochemical species include  the first 10  pollutants  cited above.
  S This aerosol consists of organic, nitrate,  and sulfate components.
 ** This aerosol consists of only  the organic and nitrate  components.
                               TT_3

-------
        (a)  The Area To be Modeled
O
                                                               O
:>• r ^ ^ s •" — jf »
^^^ ^^ ^^ ^












X
^
^
                                      (b) Specification of  the  Grid

Transport
jj Transport^
f "*"
I
»
^
> Transport

fTransport
J Chemistry (
•* {Elevated Enissionsj "*•
fTransport
I
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(Transport
J Chenlstry j
_ {Elevated Enissionsj ^_
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( RoadMy NUroscale Effects

Transport
•^
	 Inversion Use
Transport
^»*
Transport
*n^
	 (round Surface
                                 urface (bmoval
                     |.   .. 1 tt 10 K1to»lt*rs     *|
    (c)  Atmospheric Processes Treated in a Column of Grid Cells


Figure II-l.  Schematic  Illustration of the Grid Used and Treatment  of
              Atmospheric  Processes in  the SAI Airshed Model
                                 II-4

-------
1.    Treatment of Atmospheric  Chemistry

     Ozone  is not emitted from sources; rather, it is formed by chemical
 reactions in  the atmosphere.  Consequently, to calculate ozone concen-
 trations, a physicochemical model must contain a kinetic mechanism, that
 is,  a  group of chemical reactions and rate constants intended to represent
 the  ozone formation  process.  Because of computing time limitations, it
 is not possible to include explicitly each chemical soecies of interest;
 thus,  most  of these  kinetic mechanisms treat organic compounds in groups,
 often  on the  basis of  the reactive functional groups they contain.  For
 example, propylene,  1-butene, and 1-pentene, which each contain a
 carbon-carbon double bond, can be aggregated together as a single "lumped"
 species. Such a mechanism was used in the airshed model until 1976, when the
 Carbon-Bond Mechanism  was developed.

     Because  of the  association of reactions and reactivities with carbon
 bonds,  the  range of  reactions and rate constants to be treated in a
 kinetic mechanism can  be narrowed considerably when each carbon atom is
 treated according to its bond type.  This concept is the basis for the
 Carbon-Bond II  Mechanism, a 65-reaction mechanism developed at SAI and
 employed in the SAI  Airshed Model (Whitten and Hogo, 1977; Whitten, Kill us
 and  Hogo, 1980).  In this mechanism, the carbon atoms of each organic com-
 pound  are assigned to  one of the following groups:  single-bonded carbon
 atoms,  double-bonded carbon atoms except ethylene, ethylene, aromatic-bonded
 carbon  atoms,  carbonyl-bonded carbon atoms, and benzaldehyde.  Further dis-
 cussion of  the  definition and treatment of these groups is given in the
 final  report  on the  application of the model to the Tulsa urban area
 (Reynolds et  al., 1982).  The user can add to the mechanism four reactions
 describing  S02  oxidation and reaction expressions accounting for the forma-
 tion of sulfate,  organic, and nitrate aerosol products.*  Simulations of
 smog chamber  experiments indicate that the Carbon-Bond Mechanism performs
 significantly better than those previously employed in the airshed model
 (Whitten, Hogo, and  Killus,  1980).
 * The 69-reaction mechanism is  shown in Chapter IX and is  discussed in
   more detail  in Reynolds et al.  (1982).
                              II-5

-------
2.   Treatment of Advective Pollutant Transport

     Pollutants are transported primarily by advection, that is,  by
the mean or bulk motion of the wind.  A major difficulty in treating
advection is wind shear, the variation of the wind with altitude.   The
wind speed near the ground typically increases with height, but the
wind several hundred meters aloft may be faster or slower—and frequently
from a different direction.  In the original  airshed model, wind  shear was
neglected, but later sensitivity studies indicated that inclusion  of wind
shear effects in the model could significantly alter Nt^ and ozone predic-
tions (Reynolds et al., 1976).  Consequently, the capabilities of  the
model were expanded to treat wind shear phenomena.  .Theoretical wind
shear relationships were derived by Lamb (1976) using the predictions of a
planetary boundary layer model developed by Deardorff (1972).  These
relationships are useful when wind measurements aloft are not available.
When wind measurements are available both at the surface and aloft, one
or more objective techniques are used to prepare appropriate three-dimensional
wind inputs to the model.  Two algorithms in the model are described by
Liu et al.  (1973) and Killus et al. (1577).

3.   Treatment of Turbulent Diffusion

     Pollutants are transported and dispersed largely by the action of
the wind rather than by molecular diffusion.   The treatment of advection
discussed above does not represent pollutant transport completely because
it Ignores the Influence of small-scale features of the wind, called
eddies.  Describing these microscale features of the wind deterministi-
cally is difficult because available data are insufficient to characterize
winds on such a fine scale.  Consequently, it 1s necessary to parameter-
ize the microscale turbulent diffusion processes.   In  the  SAI Airshed  Model,
•nd most other grid models as well, transport of a pollutant by turbulent
diffusion is assumed to be proportional to the rate of change of
concentration with position (I.e.,  concentration gradient),  the
                                   II-6

-------
proportionality factor is termed the eddy diffusivity coefficient.
These coefficients are sometimes treated as constants, but they can
more accurately be treated as functions of atmospheric stability, sur-
face roughness, and height above the ground.

     Because of the empirical nature of the eddy diffusivity concept,
it has heretofore been difficult to obtain orecise measured or theoret-
ical estimates for the diffusivity coefficients.  At SAI, considerable
effort has been devoted to the study of turbulent transport processes.
As a result of these efforts, we have developed a novel procedure for
estimating diffusivity coefficients.  In this approach, control theory
techniques are employed in conjunction with the results of a sophisti-
cated planetary boundary layer model to generate "optimal" diffusivity
values.  For further details, the reader is referred to the reports by
Lamb (1976) and Lamb et al.  (1977).


' 4.    Treatment of Other Microscale Phenomena

      Several  phenomena besides  turbulent diffusion  have  characteristic
 spatial  or temporal  scales too  small  for explicit,  deterministic resolu-
 tion  in  urban and regional  grid models.  Two important examples  are the rise
 of a  hot, buoyant emissions plume from a large point source and  the
 scavenging of ozone  near  roadways by  NO emitted from vehicles.   Studies
 of  these phenomena and others at SAI  resulted  in the incorporation of
 an  improved treatment  of  plume  rise from point sources.   In addition, a
 preliminary version  of a  module to treat the microscale  effects  of the
 emissions from a  network  of line sources (e.g.,  highways)  in the lowest
 layer  of grid cells  has also been developed.   In this  layer, taken to be
 about  20 meters deep,  NO  emissions from vehicles on a  roadway are allowed
 to  react only with the ozone in  the immediate vicinity  of the roadway.
 More  detailed descriptions  of these algorithms and  other microscale
 phenomena are given  by Lamb (1976) and Lamb et al.  (1977).   Since the per-
 formance of the microscale module has not been thoroughly evaluated,  we
 do  not recommend  that  this  optional model  feature be exercised at this
 time.

                                 H-7

-------
 5.   Treatment of Surface Removal Processes

      Many types  of pollutants,  including  NOz,  ozone,  and  502  in  particular,
 can be removed from the atmosphere by chemical  reaction,  adsorption,  or
 absorption at various surfaces  found in urban  areas.   A methodology for
 calculating the  removal of gaseous pollutants  by surface  sinks has been
 incorporated in  the model.  Surface removal  is assumed to take place  in
 two steps:  transport to the surface followed  by uptake by the surface.
 Parameterization of this two-step process is accomplished by  defining a
 resistance to mass transport and a resistance  to surface  removal.  The
 transport resistance is estimated from theoretical  considerations of
 turbulent transfer in the atmospheric boundary layer, and the .surface
 resistance is obtained from experimental  data  on the  uptake of pollutants
 by various types of surfaces (Killus et a!., 1977).

 6.   Other Technical Features

      The numerical procedure used to solve the conservation-of-mass
equations for each pollutant is an important component of a grid  model.
To minimize the propagation of-numerical errors, techniques for treat-
ing horizontal (advective) pollutant transport—an element of the model
particularly difficult to handle numerically—were examined.  The
results of these studies indicated that, of the techniques examined,  the
SHASTA integration scheme provided the best balance between accuracy  of
prediction and computational speed (Reynolds et al., 1976; Killus et  al.,
1977).

      The SAI Airshed Model contains features designed to reduce  cost by
minimizing labor and computing expenses.  For example, computerized data
preparation programs are available for automating the conversion  of
various types of data into the proper input format.   These features have
no effect en the model's treatment of atmospheric processes, but they do
aid the user in preparing the inputs required by the Airshed Model.
                                    II-8

-------
     The model output consists of the predicted pollutant concentrations
for every grid cell.  These predictions are generally averaged over a
period of one hour and are saved on a computer file for subsequent display
and analysis.  An example of the printed output produced by the display
program is given in Figure II-2.  If other computer graphics capabilities
are available, then the results can be plotted as shown in Figures II--3
and II-4.  Note, however, that the computer programs described in this
manual produce only printed displays of the predicted concentrations.
Gridded census data can be used in conjunction with the model  predictions
to estimate the dosages and exposures that are experienced by the human
population within the modeling region.  The results of an exposure analysis
carried out for Denver are shown in Figure II-5.   Of course, other displays
and analyses can be prepared depending on the needs of the user.

B.   MODEL USAGE

      In general, studies that employ the SAI Airshed .Model can be
segmented into three phases:  adaptation, evaluation of validity and
performance, and application.  The specifics of each ohase deoend on
the region  to be modeled and the intended application, but certain
characteristics apply to each case.

      The primary objective of Phase  I is to adapt the model for applica-
tion  to a particular region.  Efforts involved in this undertaking include:

      >  Review of pertinent  air quality studies of the region.
      >  Examination and assessment of available emissions and
        aerometric data.
      >  Specification of supplemental data  (if any) needed for
        verification and application of  the model.
      >  Collection of supplemental data, if necessary, through
         intensive field monitoring studies.
      >  Adaptation of existing, or development of  new, input
        data preparation programs.

Upon  completion  of  these tasks, the  user is  in a position to  carry out
photochemical simulations with  the model.

                              II-9

-------
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  Source:  Anderson et al.  (1977).
Figure II-3.
Example of Plots Illustrating  Model  Predictions and Actual
Measured Concentrations.   Ozone concentrations measured at
various stations In  the  Denver area  on 28 July 1976 are com-
pared with the corresponding predictions of the SAI Airshed
Model as modified for  Denver.

                    11-11

-------
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     Phase II is devoted to assessing the performance of the model.
First, the model is used to simulate the formation of photochemical  smog
on one or more days in the past chosen to represent typical  or episodic
meteorological conditions.  Model  predictions are then examined In light
of actual observations in an effort to characterize model performance
(see Figure II-3).  Tasks in this  phase include:

     >  Selection of days for testing.
      > -  Preparation of model inputs for each day.
      >   Performance of model simulations and analysis of
         results.
      >   Collection of  additional data, modification of the
         model or  input data preparation programs, or both,
         as  needed, until  satisfactory model performance is
         obtained.

After the model has been  demonstrated to perform adequately, further
applications  studies can  be carried out with reasonable confidence.

      The intent of the air quality modeling study is not fully realized
until Phase III,  when  control issues  are addressed.  Applications of the
model generally involve the following tasks:

      >   Definition of  the scenarios to be considered.
      >   Specification  of  input conditions for each scenario
         (for  example,  adverse meteorological conditions,
         weekday emissions, and so on).
      >   Performance of model simulations and analysis of results.

In evaluating the effects of some change in emissions, one compares the
predictions for that case with those  for a base case  (see Figure II-6).
The  base case might, for  example, represent conditions without the
Imposition  of emissions controls.   Several measures can be examined in
assessing the effects  of  emissions alterations, including maximum one-
hour-average  concentrations, population dosages, and area-wide concen-
tration  changes.  Of course, the model predictions can also be compared

                               11-14

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with air quality standards.   As shown in Figures II-5 through I1-7,  various
graphical techniques can be employed to display the model  results.

C.   MODEL APPLICATIONS

     Many seemingly straightforward but Inherently difficult issues
arise in planning for the abatement and control of air pollution in  an
urban area.  Some of these issues can best be addressed through  the
use of an airshed model; others can be addressed only in this way.
This section discusses potential model applications and summarizes
studies performed through June 1978 that employed the SAI Airshed Model.

     Analyses that can be carried out with the SAI Airshed Model
include:

     >  Development of an emissions control policy.  For example,
        the model can be applied to cities to ascertain the influence
        of various potential motor vehicle emissions standards on
        ambient CO, ozone, and N02 concentrations.
     >  Evaluation of proposed emissions control strategies.  The
        model would be particularly useful in helping to establish
        estimates of the relative emissons reductions of organic species
        and NOX required to achieve the ozone and N02 air quality
        standards.
     >  Selection of sites for future sources of air contaminants.
        Of particular interest here is the examination of alternative
        future source development scenarios that would minimize
        the possibility of subsequent violations of air quality
        standards.
     >  Planning for the control of air pollution episodes.  The
        model can be used to ascertain either the extent of
        intermittent controls required to relieve episodic
        conditions or the effectiveness of alternative control
        measures, such as emissions reductions in various portions
        of a region.
                                 11-16

-------
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                                11-17

-------
     >  Assessment of the contributions responsible for existing
        levels of air pollution.  The model can be exercised both with
        and without particular sources included in the emissions inputs
        to examine "their contributions to existing air quality.
     >  Estimation of air quality in areas for which pollutant
        concentration data are unavailable.  Model predictions
        can be used to locate regions experiencing high pollutant
        concentrations and thus aid in selecting additional monitoring
        sites.

     In general, applications such as those cited above are carried out by
altering any of four inputs to the model:  the spatial distribution of
emissions, the temporal distribution of emissions, the composition of
organic compounds emitted from sources, and the initial and boundary
pollutant concentrations.  Control strategies that attempt to alter the
reactivity of organic species emitted into the air, such as solvent
substitution measures, can be handled in the model by altering the magni-
tude and composition of the emissions from the appropriate sources.  In
addition, emissions from one city may be responsible for increased back-
ground pollutant concentrations in a city downwind.  The effects of
alterations in background concentrations can be examined through changes
in the initial and boundary pollutant concentrations used as input to
the model.

     Besides these applications,  the SAI Airshed Model can be used in other
photochemical air pollution analyses.  Sensitivity studies, for example,
can help assess the relative influences of various physical and chemical
processes on pollutant concentrations in a particular region.  Such infor-
mation might be used as a basis for simplifying the treatments of various
processes in the model or for reducing the amount of input data to be
collected.  Moreover, the model can serve as an educational tool by
enhancing the existing understanding of the causes of photochemical air
pollution in the region.  The SAI Airshed Model can also be employed to test
new theories, algorithms, and parameter!zations of atmospheric processes.
Thus, the model is useful in applications ranging from the evaluation of
                                   11-18

-------
emissions control strategies to the advancement of knowledge in atmo-
speric science.

      Initially, most applications of the SAI Airshed Model  were in
research projects aimed at improving the model's components  or in evalua-
tive studies to ascertain its performance.  However,  several studies
have been carried out that are illustrative of the applications cited
earlier.  We list below several of these investigations carried out
through 1978 that the user can refer to for information on applying the
model to suit specific needs.

    > An evaluation  of four motor vehicle emissions control
      strategies  for Los Angeles.  The scenarios  included
       (1)  a  30 percent reduction in vehicle mileage,  (2) a
      100  percent reduction  in vehicular emissions,  (3) 79
      percent,  73 percent, and 62 percent reductions  in the
      emissions of organic species, NOx and CO, respectively
       (strategy proposed by  the Environmental Quality Laboratory
      at Caltech), and (4) a  90 percent reduction in  vehicle
      mileage  in the downtown Los Angeles area  (Reynolds et
      al.,  1973a).
    > An examination of a proposed State  Implementation Plan
      for  Los  Angeles (June  1973).  Three scenarios were
      considered in  this study:   (1) baseline 1969 conditions,
       (2)  baseline 1977 conditions  (with existing legislation
      in force),  and (3) 1977 conditions with additional
      emission reductions resulting from  gasoline rationing,
      carpooling, implementation of special bus lanes and
      parking  restrictions,  and limited control of stationary
      sources  (Reynolds and  Seinfeld, 1975).
    > An analysis of air quality for the  Denver metropolitan
      region for the years  1976, 1985, and 2000.   This study
      examined the impact on  air quality  of the urban growth
      associated with the construction of new wastewater  treat-
      ment facilities.  Model  runs were also made to  ascertain
      the  sensitivity of the  predictions  to various  land  use
      scenarios that involved  alterations to the  spatial
                                   11-19

-------
   distribution of emissions  (Anderson  et  al.,  1977).  Samples
   of the results are given in  Figures  II-3,  II-5,  and II-6.
>  A demonstration of the model's utility  in  selecting sites
   for aerometric monitoring.   As part  of  a  study  sponsored
   by the EPA Environmental Monitoring  and Support Laboratory
   in Las Vegas, the SAI model  was applied to Las  Vegas  and
   the predictions were employed to estimate  the best locations
   for CO monitors (Liu et al., 1977).
>  An examination of the influence of highway location,  design,
   and operation on photochemical smog  formation.   This  study,
   sponsored by the Federal Highway Administration, is
   evaluating various transportation control  strategies  and
   will provide guidance to highway personnel  in the use of
   Photochemical models (Reynolds et al.,  1979).
>  An analysis of model sensitivity to  ascertain the rela-
   tionships between the quantity of data  collected for  use
   in estimating model inputs  and the performance  of the SAI
   Airshed Model.  This information will  be  integrated into
   a larger study for the EPA  Office of Air  Quality Planning
   and Standards (OAQPS) aimed at examining  means  for
   employing the SAI model in  evaluating  the performance of
   simple oxidant relationships (Tesche et al., 1981).
>  An examination of the capability of  the SAI model to
   resolve the impact of emissions from major elevated point
   sources on regional air quality.  Sponsored by  the Southern
   California Edison Company,  this study  focused on the  influence
   of  NO  and  SO, emissions reductions  on the expected
        A        £
   incremental changes in N02,  ozone, and sulfate  levels aloft
   and at the ground in the Los Angeles area (Tesche and Burton,
   1978).
>  An evaluation of alternative population growth  scenarios
   for the Los Angeles metropolitan area.  The purpose of this
   study is to help regional  planners at the Southern California
   Association of Governments  determine the  extent to which
   future air quality levels in 1990 will  be sensitive to the
                               11-20

-------
        manner in which the area is allowed to develop  over the
        next 12 years.

     Other ongoing 'studies that are not direct applications of the.model
but that do have some bearing on model  usage include:

     >  An investigation to establish guidelines  for setting model
        performance measures and standards.  This study for the
        OAQPS will yield information that will aid in evaluating
        the suitability of a model  for  use in a particular applica-
        tion (Hayes, 1978).
     >  A study to establish guidelines for validation  of air
        quality models.  This effort will  provide guidance to
        users in the examination of model  performance.   This study
        is also being carried out for OAQPS (Hi!Iyer,  Reynolds,  and
        Roth, 1979).

 In addition to these studies, versions  of the SAI Airshed Model  have been
 implemented for use in several cities, both in this country and in
 Europe.  Table II-l summarizes these applications.
                                    11-21

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         TABLE II-l.  USE OF THE SYSTEMS APPLICATIONS  (SAI) AIRSHED MODEL
                     IN  STUDIES OF  AIR QUALITY IN URBAN AREAS.
User
Systems Appl . ,

Inc.
Systems Appl., Inc./
CAL TRANS/CARB
Systems Appl . ,
Systems Appl . ,
Systems Appl . ,
Systems Appl.,
Systems Appl.,
Systems Appl.,
Systems Appl . ,
Systems Appl.,
Systems Appl.,
Systems Appl.,
Inc.
Inc.
Inc.
Inc.
Inc.
Inc.
Inc.
Inc.
Inc.
Inc./
Model
Version
1973
1973
1973
1973
1977
1977
1977
1978
1978
1982
1978
1978
Study Site
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Los Angeles
Tulsa
The Netherlands
Sponsor and Reference
EPA, Contracts CPA 70-148 and
68-02-0339 (Reynolds, 1973)
California Department of
Transportation, Contract
K-7319; California Air
Resources Board, Contract
ARB 4-250
Texaco
Western Oil and Gas Association
DOT, Contract DOT-FH-11-8529
(Reynolds et al . , 1979)
Southern California Edison
Company (Tesche and Burton,
1978)
Southern California Association
of Governments (Reynolds et al.,
1978)
Southern California Association
of Governments and South Coast
Air Quality Management District
NCAQ Contract (Souten, Tesche,
and Oliver, 1981)
Western Oil and Gas Association
(Roth et al., 1984)
EPA Contract 68-02-3370
(Reynolds et al . , 1982)
TNO (Builtjes et al., 1982)
  TNO
Systems Appl., Inc./
  Freie Universitat
  Berlin/TNO          1978
Systems Appl., Inc.   1978

Systems Appl., Inc.   1978
Bonn/Cologne
California
Central Valley
Los Angeles
Stern and Scherer (1982)

PG&E
EPA, Contract 68-02-2870
(Tesche et al., 1981)
                                                                        Continued
                                 11-22

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                              TABLE II-l (Concluded)
       User
 Model
Version
Study Site
Sponsor and Reference
Systems Appl., Inc.   1978

Systems Appl., Inc./  1973
  State of Colorado
Systems Appl., Inc.   1976
Systems Appl., Inc./  1976
  State of Colorado
Systems Appl., Inc.   1977

Systems Appl., Inc.   1977

Systems Appl., Inc.   1973

Systems Appl., Inc./  1973
  British Leyland
Systems Appl., Inc.   1977
Systems Appl., Inc.   1977
Systems Appl., Inc.   1978
Systems Appl., Inc.   1978

Systems Appl., Inc.   1978

Systems Appl., Inc.   1982
SRI, International    1982
Systems Appl., Inc.   1983
          Los Angeles

          Denver

          Denver


          Denver

          Denver

          Denver

          Las Vegas

          Turin, Italy

          Phoenix
          Tampa
          St. Louis
          St. Louis

          Sacramento

          Las Vegas

          Philadelphia
          Philadelphia
               EPA, Contract RP-1375-1-2
               (Seigneur et a!., 1983)
               Colorado Department of Highways,
               Contract 75-109
               EPA Region VIII, Contract
               68-01-4341 (Anderson et al.,
               1977)
               Colorado State Health Department
               and Department of Highways
               DOT, Contract DOT-FH-11-8529
               (Reynolds et al., 1979)
               ERT/Colorado Interstate Pipline
               Company
               EPA, Contract (58-03-2174
               (Liu et al., 1977)
               British Leyland

               EPA, Contract 68-03-2446
               EPA, Contract 68-03-2446
               EPA, Contract 68-02-2429
               EPRI, Contract RF-1375-1-2
               (Seigneur et al., 1983)
               DOT, Contract DOT-FH-11-8529
               (Reynolds et al., 1979)
               Southern California Edison
               Company (Tesche, Oliver, and
               Haney, 1982)
               EPA, Contract 68-02-3538
               EPA, Contract 68-02-3582
               (Haney, Tesche, and Killus, 1983)
99
                                 11-23

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                  Ill    OVERVIEW  OF THE SYSTEM
     The SAI Airshed Model System contains at its core the Airshed  Simula-
tion Program, the input data that consist of 10 to 14  files,  depending
on the program options chosen.   Each file is created by a separate  data
preparation program.  The output from the Airshed Simulation  Program con-
sists of three data results files and an execution trace report.  The out-
put data files can be further processed by the display and analysis programs
and can also be used for restarting the'simulation.  Figure III-l shows  the
Airshed Simulation Program and identifies its input and output files.

     The SAI Airshed Model System can be described according  to the five
major tasks or functions that the user and the programs must  perform:

     >  M.E.B. (meteorology, emissions, and initial and boundary
        conditions) file preparation.
     >  M.E.B. file segmentation.
     >  Control data preparation.
     >  Airshed simulation.
     >  Display and analysis.

This classification of programs and tasks is used as the organizational
basis for both this User's Manual and the companion Systems Manual.  Each
of the five major functions is represented by a rectangular box in  Figure
III-2, which illustrates the flow of information through the system and
shows the position of each major function within the system.   The following
sections of this chapter briefly discuss each function in terms of  the
activities required of the user, and the remaining chapters of this report
present the detailed information necessary for the completion of each task.
                                  III-l

-------
DIFFBREAK
REGIONTOP
EMISSIONS
TERRAIN*
                                      Ai rshed
                                     Simulation
                                      Program
              I
              I
             1
          INSTANT*
           AVERAGE*  1    I VARIATION*


r1
' WIND I
L



I PTSOURCE* I I AIRQUALITY I I CHEMPARAM 1 I SIMCONTROL I
^ V V \ IV \ \ \

TEMPERATUR*



(ROADWAY**! 1 BOUNDARY 1
\ \ \

METSCALARS 1
i
i i


( TOPCONC 1
1
1
1

  * Optional files.

 ** Optional file not recommended for usage at this time.


 Figure  III-1.  Airshed Simulation Program with  Input and Output  Files

                                    III-2

-------
                Meteorological,
                Emissions, and
                Initial and
                Boundary
                Conditions Data
                       Display
                      Controls
  Predicted
(Concentrations
   (Other   /
Concentration I
   »*    V
                                     LLI
                                    Display and
                                     Analysis
                                    Maps
                                    Contours
                                    Stations
                                    Differences
Figure  II1-2.   Information Flow in the SAI Airshed Model  System
                                       III-3

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A.   M.E.B. DATA FILE PREPARATION

     Of the 14 files input to the Airshed Simulation Program,  two are
classified as "control files" and are discussed separately.  The prepara-
tion of the remaining 12 files, which contain meteorological,,  emissions,
and initial and boundary conditions data (referred to in this  report as
the "M.E.B. files"), is discussed here.  The Airshed Simulation Program
requires appropriate meteorological, emissions, and initial conditions
data for each cell of the region's rectangular grid.  In addition, the con-
centration of each pollutant must be specified at each point on the boun-
dary where the wind is flowing into the region.  These data enter the
program through the M.E.B. files.  Table III-l lists the 12 files, grouped
by type; the 10-character code name as well as the descriptive name is
given for each file.  Also, the data items contained in each are listed
and classified according to the nature of the variability (spatial, tem-
poral, or pollutant) exhibited by each item.

     For each file, there is a data preparation program that takes either
observations or estimates at specific locations in the region, creates a
fully gridded data field, and writes the data to the file in the appropriate
format.  The 12 M.E.B. data preparation programs are designed  to be used
together as a unified, user-oriented package.  The input formats to all
the programs are standardized and reasonably self-documenting.  The inter-
polation methods are intended to accommodate input data of any complexity,
from variables for which little or no data are available to those for
which there are many observations and well-known interactions.  Also, the
units of measure are standardized, and a flexible unit conversion scheme
is built into the programs.

     The M.E.B. data preparation function consists of the following tasks
for the user:
                                    III-4

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                         Table III-1.    M.E.B.  Data  Files
                                                      Nature of Variability
               File Description
Meteorological Files
  WIND— Wind
    Average wind speed along each boundary
    u- velocity component
    v- velocity component
  DIFFBREAK--Dif fusion Break
    Diffusion break
  REGIONTOP— Top of the Region
    Top of the modeling region
  *TEMPERATUR— Temperature
    Ground-level temperature
  METSCALARS— Meteorol ogi cal Seal ars
    Temperature gradient below diffusion  break
    Temperature gradient above diffusion  break
    Exposure index
    Diurnal  photolysis rate  constant
    Concentration of H20
    Atmospheric pressure

Emissions Files
  EMISSIONS—Ground-Level  Emi ssions
    Ground-level emissions (lumped mobile and
    nonpoint stationary sources)
  *PTSOURCE~Point Source Emissions
    Location of source
    Effective plume height
    Vertical cell Index
    Emissions rate
Axes
x  y
x  y

x  y

x  y

x  y
x  y
(x,y)
(x.y)
(x,y)
(x,y)
Vertical
Di recti on
Species   Time
   z
   z
              sp
           t
           t
           t
                               t
                               t
                               t
                               t
                               t
                               t
   (z)
  sp
           t
           t
           t
                                        III-5

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                             Table III-l  (Concluded)
                                                      Nature of Variability
               File Description
  *ROADWAY—Roadway Mfcroscale Parameters
    Emissions from motor vehicles
    Roadway microscale parameter

Boundary Files
  *TERRAIN--Terrain Surface Parameters
    Surface roughness
    Vegetation factor
  BOUNDARY—Boundary Definition and
            Concentrations
    Boundary definition
    Boundary concentrations
  AIRQUALITY—Air Quality
    Initial concentrations
  TOPCONC—Concentrations at the Top of
           the Region
    Boundary concentrations at the top of
    the modeling region
                                         **
        Vertical
Axes    Direction   Species   Time
x  y
x  y
x  y
x  y
 (x,y)
 (x,y)

 x  y
sp
t
t
sp       t

sp      (t)§
 x  y
SP
 x = east-west axis of grid.
 y = north-south axis of grid.
 z = vertical axis of grid.
sp = chemical species.
 t » time.
(} = data that vary spatially but are not present over the entire grid.
 * = files that need not be present for a simulation run.
f u and v refer to the x and y components of the wind velocity, respectively.
§ Concentrations must be present at least for the beginning time of the simulation.
**  = The  roadway microscale procedure is not recommended for usage at this time.
                                       III-6

-------
     >  Determination of the appropriate files for a given
        simulation.
     >  Detailed examination of the data requirements and
        optional methods for each file.*
     >  Translation of available data into a form acceptable
        to the model.
     >  Selection of the proper interpolation methods.*
     >  Establishment of the size and location of the region.
     >  Establishment of the vertical distribution of cells
        within the region.
     >  Exercise of the data preparation programs, examination
        of the results, and modifications of the inputs or algo-
        rithms until a reasonable set of data is produced.

The preparation of the M.E.B. data files is certainly the most difficult
and time-consuming task associated with using the SAI Airshed  Model  System.
It is also the most important task, and careful, intelligent creation  of the
input is required to yield the best simulation results.

B.   M.E.B. DATA FILE SEGMENTATION

     The SAI Airshed Model System has been designed to enable  simulation on
a rectangular grid of any size and shape; that is, the dimensions of the
region are not fixed within the programs, but are specified at run time.
If a specified region does not fit within the core limitations of the  host
computer, that region can be divided into any number of contiguous subrec-
tangles called "segments"; in this case, the size of each segment, rather
than the size of the entire region, is limited by the amount of core avail-
able.  The Airshed Simulation Program processes each segment in turn and
information at the interfaces between segments is maintained.
* In some situations, the algorithms embedded in the data preparation
  programs may not be adequate for the intended model  application; in
  these cases, the user will  have to develop and interface the appropriate
  capability with the SAI Airshed Model  System.
                                   III-7

-------
     To enable simulation processing by segment, the user must create seg-
mented data files from unsegmented files.  The M.E.B. file segmentation
function consists of the following tasks for the user.

     >  Estimation of the size of the largest segment that will
        fit in core.  This size will be determined by the number
        of species to be simulated, the number of vertical levels,
        the number of point sources, the program options selected,
        and the amount of core available on the host computer.
     >  Definition of the size and arrangement of segments in the
        simulation region, and preparation of a segmentation con-
        trol deck describing that layout.
     >  Running the segmentation program on each of the spatially
        varying M.E.B. files.

C.   CONTROL DATA PREPARATION

     The Airshed Simulation Program requires two control files:   the
Chemistry Parameters file (CHEMPARAM), and the Simulation Controls file
(SIMCONTROL), each created by its own data preparation program.
Table III-2 summarizes the contents of the control files.

     For the Chemistry Parameters file, all chemical species to be simu-
lated are named and their properties specified.  This list of species,
rather than that appearing on any of the other data files, determines which
species will be simulated.  If there are any reactive species, the reac-
tion rate constants and their other properties (such as the activation
energy and reference temperature) are also specified.  The user's tasks in
making the Chemistry Parameters file are:

     >  Preparation of a card deck describing the species and
        the chemical mechanism to be used.
     >  Running the program that creates the Chemistry Parameters
        file.
                                III-8

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TABLE III-2.  Airshed Simulation Program Control Files

   CHEMPARAM (Chemistry  Parameters)
     For each species
      Name
      Reactivity  flag
      Steady-state  flags
      Lower and upper concentration  bounds
     For each reaction
      Rate  constant
      Photolysis  and temperature-dependence  flags
     . Activation  energy and  reference  temperature
     For each coefficient
      Name
      Value

   SIMCONTROL CSimulation  Controls)
     Run identifier
     Beginning and ending  times
     File options
     Simulation options
     Time slice controls
     Minimum chemistry  time step
     Convergence criteria
     Averaging interval
     Instantaneous concentration output interval
     Print options
  Note:  These files contain no spatially or
         temporally variable parameters.
                           III-9

-------
     The Simulation Controls file includes values for the simulation
options, time span, integration controls, and output options„ which are
the data likely to be changed most frequently.  The user's tasks in
generating this file are:

     >  Preparation of the card deck containing all the simulation
        control parameters.
     >  Running the program that creates the Simulation Controls file.

Although the creation of the Simulation Controls file is described as a
separate task among a number of tasks preliminary to running the simulation
program, it can be performed just prior to a simulation program run within
the same computer job.

D.   AIRSHED SIMULATION

     The Airshed Simulation Program reads the data files that were created
in the three previously described steps and performs the simulation as spe-
cified by the control files.  Its output consists of files containing instan-
taneous and time-averaged concentration predictions in segmented form, and
a printed trace of the progress of the simulation.  Concentration predictions
are not printed by the simulation program except in a compact form for debug-
ging purposes only.  The selective printing of the simulation results is per-
formed by the display and analysis function.  The user's tasks in running
the airshed simulation are:

     >  Proper specification of all input files to be used.
     >  Arranging to save the output files that the program
        creates.

 E.   DISPLAY-AND ANALYSIS

      The final function of the SAI Airshed Model System is the display and
 analysis of the simulation results.  This function has been removed from
 the Airshed Simulation Program because often, no matter which output
                                   111-10

-------
options are selected for a simulation run,  different options  are  needed at
a later time.  By writing the concentration predictions  of all  species in
all dimensions to output files, one can select any  available  output mode
at any later time.

     The current display program capabilities  include printout  of either
instantaneous or average concentration grid maps  for selected species at
selected vertical levels at selected times.  Instantaneous or average
vertical concentration profiles can also be printed at user-specified
stations.  The user's tasks in running the  display  program are:

     >  Proper specification of all input files required (includ-
        ing the desired output file from the Airshed Simulation
        Program).
     >  Preparation of an input deck containing parameters for
        the selection of times, species, and vertical levels  to
        be printed, and station locations where vertical concen-
        tration profiles will be printed.

      In addition,  the  design of  the display program provides for  the inclusion
 of additional analysis capabilities without extensive modification of the
 program.   Specifically,  the  structure  permits  the  comparison of two concen-
 tration data files.  The two data  files  could  be the output  from  two simula-
 tion runs  (comparing different control  strategies,  for  example),  or one file
 could be simulation  predictions  and the  other  a gridded representation of
 station observation  data.
                                    III-ll

-------
                IV   DEFINITION OF SYSTEM CONCEPTS
     This chapter discusses  several  important aspects of the Airshed Model
System that must be understood before  the model can be used.  The concepts
explained here include the subdivision of the modeling region into an
array of three-dimensional grid cells, the pollutants treated by the model,
and the handling of the time variability of various parameters in the model.
Also, the segmentation of the entire modeling region into one or more sub-
regions for performing the numerical integration process is examined.  Finally,
the treatment of time increments used  in the Airshed Simulation Program is
detailed.

A.   THE MODELING REGION (GRID)

     The modeling region is a three-dimensional volume subdivided into an
array of three-dimensional grid cells. This section first  describes the
projection of this array onto the x-y, or horizontal,  plane and then
the method of determining the cell  thicknesses  in  the  z, or vertical ,
direction.  Complete instructions for  defining  the location, size, shape,
and resolution of the modeling region  are  given in Section  VLB.2, which
discusses the REGION packet.

1.   Horizontal Distribution of Grid Cells

     Three pairs of values (which are  further discussed  below) define the
horizontal modeling region:

     >  The x- and y-coordinates, in meters, of its origin  (the
        lower left-hand corner point)  with  respect to  a  refer-
        ence origin.
                                    Iv-1

-------
     >  The grid spacing (cell size), in meters,  along each axis.
     >  The number of grid cells along each axis.

In the horizontal plane, the region consists of a rectangular grid area
with the x-axis parallel to the equator (east-west)  and the y-axis per-
pendicular to the equator (north-south).   This area is divided into
rectangular grid cells of equal size.  Although the  spacing of cells  may
be different for one axis than for the other, yielding nonsquare cells,
it must be uniform along each axis.

     The region specified must include one cell at each boundary of the
simulated area.  Thus, if the area to be simulated is a 5 x 10 grid,  the
region specified must be at least 7 x 12, as shown in Figure IV-1. Also,
portions of the inner rectangular area can be omitted from the simulation
by defining the boundaries appropriately.  Figure IV-2 shows a possible
boundary for the Los Angeles region for which the prediction of concentra-
tions in the areas over the Pacific Ocean and the San Gabriel  Mountains
would not be of interest.  Boundaries of the simulated area are input to
the simulation through the BOUNDARY file (see Section VI.A.6,  which
describes the method for defining the horizontal  boundaries of the region).

     The method for describing locations within the  specified region  has
been standardized in the current version of the SAI  Airshed Model. First,
a "reference origin"—a point on the map defined by  its Universal  Transverse
Mercator (UTM) coordinates—is designated.  All other points in the region,
including measuring stations, point sources, and the origin of the
modeling region itself, are then described in terms  of their distances in
the x- and y-directions from the reference origin.  The reference origin
may coincide with the origin of the region, it may lie within the grid,  or
1t may be completely outside the grid.  Thus, the x- and y-coordinates of
  This orientation of the horizontal grid is used for reference through-
  out the system.  However, some other more useful or convenient grid
  orientation can be used, provided that point locations and wind
  vector components are carefully defined.
                                IV-2

-------
     Figure  IV-1.
                                                Modeling Region


                                                Simulated Area
Example  of a Modeling  Region That
Includes  the Required  Boundary Cells
             Los Angeles/!/,
             ;International
                Airport
                                               //(/Santa Ana/
                                                 Mountains/
                          1011 1213 1415 16 1718 19 M 21222324 2526 27

                             Irld
Figure  IV-2.  54 Mile by  54 Mile Modeling Region of Los  Angeles
               Basin.   Each grid  square is 2  miles by 2 miles.
                           IV-3

-------
any point with respect to the reference origin may be positive or negative.
In Figure IV-3, the reference origin is outside the modeling region.   The
x-coordinate of the region origin is positive and the y-coordinate is  neg-
ative.  The point sources and measuring stations appear both within the
region and outside it.  Using this method for locating points, the user
can change the location, size, shape, or resolution of the modeling region
without-changing the coordinates of any of the other input data.
                                           Measuring Stations
                                           or Point Sources
                           Origin of Region
       Figure  IV-3.
Example of the Location of a Modeling Region
with Respect to a Reference Origin
                                    IV-4

-------
     It is sometimes necessary to describe the region in terms of
its grid cells, generally when dealing with a whole cell (containing spa-
tially averaged values) rather than a single point.  Grid cell references
instead of point locations are used to designate subregions and regional
segments for the data preparation programs and to label  printouts of
grid values.  Grid cells are numbered by their indices in the x- and
y-directions, with Cell (1,1) referring to the cell in the lower left
(southwest) corner of the grid, as illustrated in Figure IV-4.
12
n
10
9
8
7
6
5
4
3
2
1
1,12




1,7





1,1










2,2
•




















•











5,4















7,12










7,1
                  Figure  IV-4.  Conventional Method for
                               Numbering Grid Cells
                                    IV-5

-------
2.   Vertical Distribution of Grid Cells

     Although the modeling region in the horizontal  plane consists  of  rec-
tangular cells of equal size, cells in the vertical  direction  are distri-
buted differently.  The vertical  distribution of cells  is described using
the following definitions:

     >  The diffusion break is the height above ground  at which
        the diffusion characteristics (or eddy diffusivity)  undergo
        a significant change.  For example, when a mixed layer is
        capped by a stable inversion layer, the diffusion break
        occurs at the base of the inversion.  If a ground-based
        stable layer is present,  the diffusion break then occurs
        at the top of the inversion layer.  Gridded  values of  the
        diffusion break are specified as a function  of  x, y, and
        time, and are input via the file DIFFBREAK.
     >  The top of the region is  the height above ground of  the top
        of the simulation region.  Gridded values are specified as
        a function of x, y, and time, and are contained in the file
        REGIONTOP.  The top of the region may be 1-ocated below,
        above, or at the same height as the diffusion break.
     >  The space between the ground and the top of  the region is
        divided into three layers:
        -  The surface layer is one cell deep, and all  surface
           layer cells maintain a constant height over  space
           and time.  Microscale  calculations are performed  in
           this layer using concentration predictions from the
           corresponding cell immediately above each surface
           layer cell.  Ground-level emissions, surface deposi-
           tion, and the reaction products of NO emissions from
           roadways and ambient ozone are combined to produce  a
           flux of each pollutant into the cell above the surface
           layer cell.  If the surface layer height  is  set to
                                    IV-6

-------
           zero, there Is no  surface  layer and  the microscale
           calculations are bypassed.   Since the microscale  pre-
           diction capabilities  have not  been fully tested,  it
           is recommended that the surface  layer height  be set
           to zero.
        -  The lower layer, which  must be at least one cell  deep.,
           includes the cells  between  the top of the surface
           layer (or those at  ground level, if there is  no sur-
           face layer) and the diffusion  break.
        -  The upper layer includes the cells between the dif-
           fusion break and the  top of the  region.  Calculations
           in this layer can be  omitted by  setting its number of
           cells to zero.

     Figure IV-5 illustrates various "layer"  configurations  that can be
employed in the model.  Figure IV-5(a)  shows  surface, lower, and upper
layers.   Figure IV-5(b) omits  the  surface layer.  Figure IV-5(c) contains
surface  and lower layers, but  no upper layer; note that, in  this case,
the top  of the region actually modeled is the diffusion  break, not the
region top parameter input. The  user must specify the number of cells
and the  minimum cell  height in the lower  and upper layers.  Figure IV-5(d)
shows the region described in  Figure IV-5(a)  with two cells  in the lower
layer and two cells in the upper layer.   The number of levels in the
region,  i.e., the number of cells  in the  vertical dimension  of the con-
centration matrix, is equal to the number of cells in the lower layer
plus the number of cells in the  upper  layer plus one, if there is a sur-
face layer.  The total number  of levels is  used  to calculate the segment
size limitation.  For example, five levels  are described in  Figure IV-5(d)

     If either the lower or upper  layer cells (as defined above) are
smaller than the minimum cell  height specified,  enough space is borrowed
from the adjacent layer to make  up that height.  Such a  situation occurs
in cases in which the diffusion  break  is  very low or it  is higher than
the top of the region.  Figure IV-5(e) illustrates all possible vertical
cell distributions for a region  that embodies a  surface  layer, two cells
in the lower layer, and two cells  in the  upper layer.  The top of the
region is assumed to be high enough to include the total number of cells
                                   IV-7

-------
   o>

   0)
          Time or Space

  (a)  Configuration of a  Region
      into Surface, Lower, and
      Upper Layers
       OJ
              Time or Space

   (b)   Configuration of a Region into
        Lower and Upper Layers
         Time or Space

(c)   Configuration  of a Region
     into Surface and Lower Layers
                                         CD
                                                                  Level 5
                                                                  Level 4
                                                                  Level 3
                                                                  Level 2
                                                                  Level 1
           Time or Space
(d)   The Region Described in Figure IV-5(a)
     Sectioned into Five Levels
           Figure IV-5.   Various  Vertical  Cell  Distributions That Can
                         Be Employed in the SAI Airshed Model
                                     IV-8

-------
                          Time or Space
       (e)   All  Possibilities for Vertical Cell Distribution
            of a Region That Contains a Surface Layer and Two
            Cells Each in the Upper and Lower Layers
G = Ground.
D = Diffusion break.
S = Height of the surface layer.
T = Top of the region.
Surface layer.
Lower layer.
Upper layer.
                      Figure IV-5  (Concluded)
                               IV-9

-------
at the minimum height.  For cases in which the minimum cell  height is  used
to create a pseudo-lower layer or a pseudo-upper layer, the  simulation
program still uses the actual height of a cell with respect  to the diffu-
sion break rather than the cell number to calculate the vertical  diffu-
sivity.  Instructions for specifying the vertical  distribution of cells
in the region are given in Section VLB.2, which discusses the REGION
packet.

B.   CHEMICAL SPECIES

     Each cell in the three-dimensional region previously described will
carry a concentration value for each chemical  species simulated.   The
Chemistry Parameters (CHEMPARAM) file indicates the species  to be consid-
ered and their properties (Section IX.A).  Initial concentrations of each
pollutant are provided by the Air Quality (AIRQUALITY) file.  The vertical
column of concentrations at each boundary cell of the horizontal  plane
are provided by the Boundary (BOUNDARY) file.   Boundary concentrations for
each species at the top of the region are on the Top Concentrations (TOPCONC)
file.  Instructions for creating these three files are given in Chapter VII.

C.   TIME

     Concentrations of each species in each cell are moved ahead from a
beginning time to an ending time in increments called "time  slices".
The beginning time, ending time, and the size of time slice  are specified
on the Simulation Controls (SIMCONTROL) file (Section IX.B).  The time
intervals for concentration averaging and for the output of the four-
dimensional concentration fields are also specified on this  file.  A
further discussion of the treatment of time is given in Section E of this
chapter.
                                    IV-10

-------
D.   SEGMENTATION

     The segmentation process involves dividing the user-defined modeling
region into one or more rectangular segments in the horizontal  plane,  thereby
allowing the Airshed Simulation Program to retain in core the data for the
entire area it is processing, and providing flexibility as to the choice
of the number and size of grid cells.   The maximum horizontal  dimensions
for each segment are determined by the amount of core storage available
on a particular computer, the number of vertical  levels and chemical spe-
cies to be simulated, and the simulation options to be used.   Although
the data arrays for all segments are maintained in secondary storage,  all
of the data arrays for a single segment reside in core during the period
that the segment is being processed.

     Each segment must be constructed as if it were an independent region
being simulated, with its own set of input data and boundary conditions.
To provide adequate information at the segment interfaces, adjacent
segments must be constructed with a four cell overlap, as illustrated
in Figures IV-6(a) through IV-6(c).  Figure IV-6(a) shows a 7 x 12 cell
region, consisting of a 5 x 10 area to be simulated plus a one-cell
boundary on all edges.  If the data covering this area do not fit in core,
the area can be divided into two segments as shown in Figure IV-6(b).
However, since each segment must include two boundary cells from the
adjacent segment, the length of each segment is increased by two cells
at the interface boundary.  Figure IV-6(c) shows the layout of the
original region, segmented into two 7x8 regions, each with a 5 x 5 sim-
ulation area.  The two southernmost simulated rows of Segment 1 are the
north boundary cells for Segment 2, and the two northernmost simulated
rows of Segment 2 are the south boundary cells of Segment 1.  Instruc-
tions for calculating maximum segment size and defining the regional
segment layout are given in Chapter VIII.
                                    IV-11

-------
(a)   A 5 x 10 Cell  Region
     with a One-Cell  Boundary
     on All Edges
(b)  Division of the 5 x 10
     Cell Region into Two
     5 x 5 Cell Segments
                                Segment 1
                                                        Segment 2
                                                     MIHIIIM
                                                                ill Hill
    (c)   Layout of a Region Showing the Interface of Boundary Cells
         for Two Segments


        Figure  IV-6.   Example of the Segmentation of a Region
                                 IV-12

-------
E.   TIME SLICES AND INTEGRATION TIME STEPS

     The "time slice"  is  the amount of simulation time during which  the
integration for any segment will proceed without updating the boundary
conditions or any other time-varying data.  At the beginning of  a  time slice,
new data from the files are read if necessary, and the concentrations at the
segment interfaces are updated  (Chapter VII of the Systems Manual  details
the method of maintaining segment interface concentrations).  Then,  each
segment in turn is entirely processed for one time slice.   Because all data
for a given segment are in core at once, this scheme reduces the number of
I/O transfers.

     To describe how the  time slice is determined, another time  increment—
the integration time step—must be defined.  The integration time  step is
the increment over which  the numerical integration of the governing  equations
in a segment actually  takes place.  The numerical integration procedure con-
sists of four sequential  steps:

     >  Horizontal  advection and diffusion (Steps 1  and 2).
     >  Vertical  advection and diffusion, including the treat-
        ment of emissions, surface deposition, and the surface
        layer microscale  effects (Step 3).
     >  Chemistry (Step 4).

     The maximum time step  allowable  for  the  horizontal transport calcu-
lations in a segment is  determined  by the simulation program on the basis
of the maximum wind velocity component over the  segment and by the hori-
zontal grid cell size:

                              •  /  -5Ax         .5Ay  \
                      "»*= minlH^   -   TCI/    •
where
                                   IV-13

-------
           Atm-« = maximum allowable time step for the segment,
             max
              AX = size of the grid cell in the x-direction,
              Ay * size of the grid cell in the y-direction,
           |u|    = maximum absolute value of the wind velocity
                   component in the x-direction over the entire
                   segment for all vertical levels,
           jv!    = maximum absolute value of the wind velocity
             UlQA
                   component in the y-direction over the entire
                   segment for all vertical levels.
     The size of the time slice is determined in the following way:

     >  First, the time slice is set tg the maximum size input by the
        user on the SIMCONTROL file.
     >  If necessary, the time slice is reduced to avoid exceeding
        the time interval for which the data on any input file
        apply.
     >  Also, if necessary, it is further reduced to avoid
        exceeding the next output time (instantaneous or average).
     >  Finally, it is reduced if necessary on the basis of the
        smallest maximum time step that is allowed in any segment.*
*
  The user sets the maximum number of time steps that can  be taken  in  any
  slice.  Thus, the time slice used can be no larger than
  where n = maximum number of steps in a slice (input on  the SIMCONTROL
  file), and (At,,^) .   = the smallest maximum allowable  time step  calculated
  for any segment,  in  general, if n is set large,  the time slice used will
  be limited by the maximum time slice input.  If n is small, the time slice
  used will be limited  by the smallest allowable time step for any  segment.
                                  IV-14

-------
     After the size of the time slice has been determined, the overall  inte-
gration time step to be used for each segment is calculated.   If the maximum
time step for the segment is shorter than the calculated time slice, the
slice is divided into the smallest number of equal  time steps such that
each is less than or equal to the maximum time step.   Thus, if the time slice
is 0.25 hour, and the maximum time step is 0.10 hour, the time slice is
divided into three equal time steps of 0.08 1/3 hours each.  If the maxi-
mum time step is greater than the time slice, the overall time step used
will be equal to the time slice.

     The overall time step described above (limited by the maximum wind
speed and time slice size) may still be too large to  allow completion of
the chemistry step (Step 4).  If the time step used for advection is too
large to allow convergence in the chemistry calculations for  any given
cell, the time step is cut in half only for the chemistry step for that
cell.  This "chemistry time step" is successively halved until the chem-
istry calculations converge, and a sufficient number of these steps are
taken for that cell to fill out the overall time step.  If the chemistry
time step for any cell must be decreased to less than the minimum chem-
istry time step specified by the user (on SIMCONTROL), the simulation
will stop and values of all arrays will be printed in the neighborhood
of the cell.
                                    IV-15

-------
                  V    JOB CONTROL SPECIFICATIONS


     This manual does not present specific  job  control examples because
they vary greatly depending not only on the computer  system used but also
on the intentions and the style of the individual  user.   Instead, Chapters
VII through XI contain diagrams illustrating the  flow of  information (card
decks, binary files, and printed output) among  the various computer pro-
grams.  This chapter discusses a typical information  flow diagram, sug-
gests a worksheet for keeping track of programs,  and  provides a summary
of file characteristics to aid in the preparation of  job  control statements.

A.   INFORMATION FLOW DIAGRAMS

     Each information flow diagram provides the following details, which
are specified for each program being described:

     >  The names of the files associated with  the program
     >  The FORTRAN unit number assigned to each  file
     >  The program name
     >  Any necessary subroutine libraries
     >  Any optional flow patterns.

     Figure V-l is an example of such a diagram.   The input is a card
deck read on Unit 5 (the standard read unit), and a binary file named
BINARY, read on Unit 3.  An optional input  file—-BIN2—if present, is
read on Unit 2.  The program to be executed—PROGM—requires subroutines
that are stored in SUBLIB.  The output from the program is another binary
file called BINOUT, written on Unit 4, and  a printout of  results on Unit 6,
the standard print unit.
                                   V-l

-------
Figure V-l.    Example of an Information Flow Diagram
              for Use in Job Control
                      V-2

-------
B.   PROGRAM WORKSHEET

     This manual assumes that the programs have already been compiled
and that they exist in an executable form.  Exhibit V-l(a)  is a work-
sheet that can be used to locate and identify each program  in the system;
Exhibit V-l(b) shows that worksheet filled out for use on the Lawrence
Berkeley Laboratory (LBL) system.  To use a different system, users
who implement the programs must provide the information necessary to run
them, including link/loading information, storage requirements, and the
location of predefined procedures.

C.   FILE CHARACTERISTICS

     The 17 data files associated with the SAI Airshed Model are described
in detail in Chapter IX of the Systems Manual. This section simply tabulates
the essential features of each file to aid in the preparation of job control
statements.

     With the exception of the card-image input files and the output print
files, all files in the SAI Airshed Model are binary (unformatted) files
of variable record lengths.  Each file contains one to four standard
header records followed by data records specific to the particular file.
The following terms are used to express the number of records on a file
and the maximum record length:

          sg = number of segments,
          sp = number of species,
        x^  = largest number of cells in the x or y dimension
               for any segment,
       xy    = largest number of grid cells in the horizontal
               plane for any segment,
           z = number of vertical levels,
       pt    = largest number of point sources in any segment.
                                    V-3

-------
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-------
     Table V-l shows the number of words in each of the four header records.
Table V-2 lists the 17 files, indicates the number of records appearing on
each one, and gives the maximum length of a nonheader record.  If this
length is smaller for the largest segment than that of the longest header
record, then the longest header determines the maximum record length for
the whole file.  In addition to the 17 data files shown in Table V-2, some
temporary scratch files might be used by a particular program, depending on
the implementation and the size of the region to be modeled.  Chapter IX of
the Systems Manual explicitly defines these files.

                 Table V-l.   Header Record Lengths for the
                             SAI Airshed Model Data Files

                                                    Length
        	Record Name	       (decimal  words)
        File description header record                76
        Region description header record              15
        Segment description header record              4 sg
        Species description header record             10 sp
                                   V-6

-------
        Table V-2.  Characteristics of the SAI Airshed Model  Data Files
Name of Header Records
File File Region Seqment Species
AIRQUALITY / / / /
BOUNDARY / / / /
DIFFBREAK / / /
EMISSIONS / / / /
METSCALARS / /
PTSOURCE / / / /
REGIONTOP / / /
ROADWAY
TEMPERATUR / / /
TERRAIN / / /
TOPCONC / / / /
WIND / / /
Number of
Time-
Invariant
Records
4sg
—
—
2sg
—

~
2sg
—
__
Number of
Records
per time
Interval
1 + sg*sp*z
1 + 4*Sg*Sp
1 + sg
1 + sg*sp
2
1 +
sg*(2 + sp)
1 + sg
1 +
sg*(l + sp)
1 + sg
—
1 + sg*sp
1 + 2sg*z
Maximum Data
Record Length
(decimal words)
" + ^rnax
12 + xmax*z
11 + Xymax
66
6*pt
11 + pt
11 + xymax
1 ] + x^max
n + xymax
n + xymax
n + xymax
11 + xy
CHEMPARAM
SIMCONTROL

AVERAGE

INSTANT

VARIATION
2-4
            sg*sp*z

            sg*sp*z

            sg*sp
62
18 sp
5*reactions
ll*coefficients

36
                                     V-7

-------
         VI   PACKETS  USED  IN CREATING  THE M.E.B.  FILES
     As many as 12 different data  preparation programs are required for
constructing the M.E.B.  files—one program  for each file.  This chapter
discusses the data modules—packets—that are used by the data preparation
programs.  All input data are divided  into  packets; each packet contains
a specific type of information necessary to some aspect of data prepara-
tion.  The following sections first present general rules that apply to
the preparation of all  the packets, and then explicit rules and formats
for each one.  Chapter  VII contains rules for the preparation of the data
files using these packets, and examples of  the output from the programs.

A.   ELEMENTS OF PACKET CONSTRUCTION

     The ordering and internal structure of the data packets have been
designed for consistency of formats, flexibility of use, and ease of
visual analysis.  Each  packet begins with a header card identifying the
packet and ends with a  termination/trailer  card that reads END or ENDTIME.
The packet names, their classifications, and their proper ordering are
shown in Table VI-1.

     Of the time-invariant data, the CONTROL and REGION packets are man-
datory, and they are entered first and second, respectively, in the input
deck.  The CONTROL packet defines  input and output options and maximum
variable counters used  by the program  to set internal array dimensions.
The REGION packet defines the location, size, and resolution of the model-
ing region.  If present, the UNITS packet follows the REGION packet.  The
UNITS packet names user-defined variables and specifies unit conversions.
                                    VI-1

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Table VI-1.  Packets Used by the SAI Airshed Model
             Data Preparation 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
                SCALARS
                VERTICAL PROFILES
                      VI-2

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The remaining time-invariant packets, STATIONS, BOUNDARIES, and POINT
SOURCES, which define fixed locations in the region, are optional depend-
ing on the file being created and the method used.

     The TIME INTERVAL packets appear next.  Each TIME INTERVAL packet
contains the other time-varying packets to be used during the interval
specified and ends with an ENDTIME card.  The time intervals used must
cover the time span specified in CONTROL with no gaps or overlaps.  The
time-varying packets included within each TIME INTERVAL  packet  define
the data preparation methods to be used and supply 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 for each variable in
each subregion.  The VERTICAL METHOD packet describes the method to be
used for calculating values for variables that vary vertically.  Although
any of these packets can be changed in subsequent time intervals, for
most runs the subregions and methods supplied in the first time interval
will be used for the entire duration of the run.  The other time-varying
packets define the values for the input variables.  The particular packets
used for any given run depend on the file being created and the methods
selected. After the  first TIME  INTERVAL packet has  defined the information
to be written on the file, this information will persist into succeeding
time intervals as described in Section A.3 of this chapter.

1.   Rules for Card Format

     Each data card is divided into two sections:  Columns 1 to 60 con-
tain input data; Columns 61 to 80 are reserved for any desired user iden-
tification 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.
                                    VI-3

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     Integers are input in Format 110 and must be right justified.   Float-
ing point variables are input as F10.0.  Alphanumeric information can
occupy any of the columns available for input of that data as long  as it
is correctly ordered and no extraneous or erroneous symbols are included.
Thus, for example, _C_ON__TROL	would be recognized as "CONTROL";
CNOTROL and  CONTROL! would not.  The 60-column file identifier
is not subject to validation and, therefore, can contain any information
the user desires.

2.   The Reserved Word ALL

     The word ALL is a special  designation that is reserved to enable the
user to specify information globally; therefore, it should not be used to
indicate a specific alphanumeric entity,  such as a variable, subregion,
station, point source, or boundary name.   When used in the input field
usually associated with an alphanumeric name, ALL means that the subse-
quent information applies to all the names that could occupy that input
field.   ALL can generally be used wherever it makes sense.  The following
examples illustrate both the proper and improper usages of this command:

     >  Proper usages of ALL.
        -  A card in the METHOD packet:

           | ALL	|__wx	IGRIDVALUE|
                                       •
           This card specifies  that in all subregions the values of
           the variable WX will be input  by the GRID VALUE method.
           If ALL also occurred in place  of WX, e.g.,

           IALL	|ALL	IGRIDVALUE |

           the values of all  input variables in all subregions
           would also be input  by the GRID VALUE method.
                                    VI-4

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        -  A card in the STATION READINGS packet:

           | WEST	| __ALL	| -9.0_	|

           This information indicates  that the values of all  vari-
           ables reported by Station WEST are  to be set to -9.0
           (a value that implies data  are missing).

     >  Improper usage of ALL.   A card in the  UNITS packet:

         IALL	IKG/D	|a          |b         |c    •      |

        where a, b, and c are numbers.  This card  says that all input
        variables will have values  input in kg/day, to which  the con-
        version parameters a and b  and the molecular weight c are to
        be applied.  It is improper because different species have
        different molecular weights.

3.   Persistence of Data

     As previously mentioned, the information  provided in any TIME INTER-
VAL packet remains in effect until  it  is replaced.   This persistence rule
applies to all time-varying data, including subregion and method defini-
tions and input values.   For example,  METHODS  for  computing each variable
in each subregion need be specified only in the first TIME INTERVAL.  They
can be changed in a later TIME  INTERVAL if desired, but in most cases only
one definition is required.

     If no data are available for a given station  over a certain time
interval, the user can omit that station in that time interval, and the
data previously input will be used.  However,  if the data are actually to
be treated as missing, the station  must be included and must  be assigned
values that are interpreted by  the  program as  "missing data."  In general,
                                    VI-5

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missing integer and real values are represented by -9 and -9.0,  respec-
tively.  Although the use of this device can save considerable duplication
of effort, it places on the user the burden of ensuring that all  changes
in status are specified.

4.   Units of Measure

     The Airshed Simulation Program assumes a standard and consistent set
of units for all of its computations* and the files input to the program
must contain data expressed in these "internal" units.  The data input
to the file preparation programs, however, may be in other than  internal
units.  To accommodate such data, the programs contain a set of standard
alternative unit designations for use in directing automatic conversion
of input units to internal units.  Additionally, the user can specify
the use of nonstandard conversion factors.  Section B.3 of this  chapter
discusses the internal units for each variable, alternative units and
their associated conversion factors, and the method for specifying non-
standard unit conversions.

5.   Variables

     Each program has a set of output variables.  For files that vary by
species, the output variables are the species names listed in the CONTROL
packet.  For files that do not vary by species, the output variables are
names built into the corresponding data preparation program; the implicit
output variable names for each file are presented in the appropriate sec-
tion of Chapter VII.  Values input to the program may be for the output
variables themselves, or they may be 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.
                                    VI-6

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Whenever the input variables are different from the output species or
implicit output variables, they are referred to as "user-defined vari-
ables," 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.

6.   Methods

     This section explains the methods for calculating the ground-level
values of each variable within each subregion.   (Section B.8 of this chap-
ter gives instructions on dividing the modeling region into subregions.)
These methods are designated in the METHOD packet, which is discussed in
Section B.9 of this chapter.  The first eight methods (a through h) can be
used by any of several data preparation programs; the remaining methods (i
through r) are each specific to a single program.

a.    CONSTANT

      A single  value is  to be  used  for this  variable  in  every  ground-level
cell  in this subregion.   The  value must  be  defined in a CONSTANTS packet
and the program will  convert  it to internal  units if necessary.   The
CONSTANT method requires  no other  parameters.

 b.    GRID VALUE

      A value for this variable will  be input for each ground-level grid
 cell in the subregion.   The values will  be defined in a GRID VALUES packet
 and the program will convert them to internal  units if necessary.  The
 GRID VALUE method requires no other parameters.
                                    VI-7

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c.   STATINTERP (Station Interpolation)

     The value for this variable at each ground-level  grid cell  in the
subregion is calculated by the program as the weighted average of values
at selected measuring stations.  Station locations will be defined in a
STATIONS packet; values for the variable at each station will  be input in
the STATION READINGS packet and the program will convert them to internal
units if necessary.  To calculate the value at a given grid cell, the pro-
gram weights each station value by the inverse of the distance of the
station from the center of the cell.  The following four parameters must
be specified to control the selection of the measuring stations to be
included in the average:

     >  EXTENT--This number determines the acceptability of a  sta-
        tion on the basis of the subregion it is in.   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 7* 0.0, only stations within the same
        subregion will be accepted.  If this number is omitted,  it
        will be assumed to be zero.

     >  INITRADIUS—initial radius of influence.  All  stations
        within this distance of the cell for which values are
        being calculated will be used.  This number is assumed
        to be in grid units.  If this number is set very large,
        all stations will -be included.  Omission of this number
        constitutes an error.

     >  RADIUSINCR—If no measuring stations with values are
        encountered within the initial radius of influence, the
        radius will be incremented by this amount until at least
        one station is included.  This number is assumed to be
                                     VI-8

-------
        in grid units.   When this number is small,  the values
        generated will  be distributed 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 values.  If this number is omitted,
        only the initial radius will be used, and the failure to
        find a valid station constitutes an error.

     >  MAXRADIUS—maximum radius of influence.  This number is
        assumed to be in grid units.  Failure to find valid  station
        data within this radius constitutes an error.   If this  number
        is omitted, the entire modeling region may  be used.

d.   POISSON

     The value for this variable at each ground level  grid cell in the sub-
region is calculated by the program using the Poisson smoothing method [see
Killus et al. (1977), 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 internal units of the variable; the suggested value
        =0.01 * expected value.

     >  OMEGA—weighting factor to aid convergence; the suggested
        value = 1.4.
                                     VI-9

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e.   SPLIT/COMB (Split or Combine)

     Any variable to be output can be formed by splitting or combining
input variables (typically, these are species):
                                N
                      varout
This method requires N parameter cards; on Card i  the parameter name is
the name of variable, and the value is factor^.   If the parameter (varia-
ble) name is left blank, the corresponding factor is treated as a constant
(i.e., var. = 1).  All values for input variables  will  already have been
converted to internal units when this computation  is done, so the factors
specified should not include unit conversions.

f.   E-W INTERP (East-West Interpolation)

     For each row of grid cells within a subregion, a linear interpolation
will be carried out between values in 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.

g.   N-S INTERP (North-South Interpolation)

     For'each column of grid cells within a subregion, a linear interpola-
tion 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.
                                     VI-10

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h.   USER (User-Supplied Algorithm)

     Each data preparation program is designed to call a user-supplied
subroutine for any variable for which the method USER has been selected.
All available data are passed to the subroutine as arguments.  At present,
all user subroutines are dummies; as new methods are developed, they can
be inserted in user subroutines, and parameter values can be read and passed
as for any of the standard methods.

i.   BOUNDVALUE
     ««Bi^_M_«^-.«a««^B^—_                   ^

     This method is used only for creation of the BOUNDARY file.  It spe-
cifies that concentration values will be input for each boundary line seg-
ment through the BOUNDARY READINGS packet..  BOUNDVALUE requires no
parameters.

     The following two methods are used only for creating the PTSOURCE
file.

j.   EMVALUES

     This method name indicates that point source emissions will be entered
for this species for this point source type (the "subregion" field) by
means of the EMISSIONS VALUES packet.  EMVALUES requires no parameters.

k.   EMFACTORS

     This method name indicates that for this species and point source
type, the emissions values and flow  rate previously entered will be modi-
fied by  factors supplied by means  of an EMISSIONS FACTORS packet.  This
method requires no parameters.
                                    VI-11

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     The following two methods 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.  Both use NZUPPR (the num-
ber of cells in the upper layer) as defined in the REGION packet.

1.  FIXDHEIGHT

     The REGIONTOP is defined such that there will be NZUPPR cells of a
fixed height above the diffusion break, subject to the maximum height indi-
cated on the method card.  REGIONTOP can be defined as being equal to the
diffusion break, subject to the maximum height indicated on the method card,
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 cells.

m.   SAMEHEIGHT

     The REGIONTOP 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.

     The following two methods are used only for the TOPCONC file.  Both
require that vertical  concentration profiles be input by means of a VERTICAL
PROFILES packet; i.e., they require that for each species in each subregion,
a number of height-concentration pairs be provided.  Both methods require
the REGIONTOP file.  The method RELTOPCONC requires the DIFFBREAK file as
well.

n.   ABSTOPCONC
     The concentration at the top of the region will be calculated from the
profile based on the height of the top of the region.  The vertical profile
                                    VI-12

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input describes the vertical distribution of concentration values.   The
height of the top of the region above ground is compared with the height
of each profile point to determine the value to be used.  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 (H,,  F.) corresponds to ground
level, the following transformation is applied  to all  heights:

                             HJ • H, - H,    .

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 height T of the
top of the region.   Then, the concentration, C, at the top is defined as
fol1ows:
Fn'
Fi-l
if T > H^
+ T - Hi-l
Hi ' Hi-i
                                                   'i-l ~  T - Hi
o.   RELTOPCONC

     The concentration at the top of the region 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 vertical profile input describes the
vertical distribution of concentration values.  The height of the top of
the region relative to the height of the diffusion break is compared to
the height of each profile point relative to its diffusion break to deter-
mine the value to be used.  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 (H,, F,) corresponds to ground level, the following transformation
is applied *to all pairs:  For all i,
                                    VI-13

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                        H! « (H. - H

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 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:
Then, the concentration, C, at the top is defined as follows:

           Fn , if  T' > Hi    ;
                  r - HI ,
           F, , + TTT	rrr11 (F, - F, ,) .  if
     The following three methods are used only in the WIND program.  In
this program there are four implicit variables:  SPEED and DIRECTION,
the variables ordinarily input to the program; and WINDX and WINDY, the
x- and y-components of the wind that are written to the WIND file.  Fur-
ther discussion of the specification of these variables appears in
Chapter VII.

p.   DIVERGENCE

     The DIVERGENCE method uses the algorithms developed by Anderson and
Durran and reported in Kill us et'al. (1977) to calculate a three-dimensional
wind field.  The method is unique in that it calculates the values for
the two output variables (WINDX and WINDY) simultaneously and computes the
values for all cells at all levels.  DIVERGENCE is, therefore, also a
vertical method and must be explicitly named in the VERTICAL METHOD packet
                                    VI-14

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as well.  Use of this method requires that station readings  and  vertical profiles
for SPEED and DIRECTION be specified and that the ground-level temperature
field (TEMPERATUR data file) be available.   Since this method internally
performs a Poisson interpolation, it requires the same three parameters
as the  POISSON method (previously discussed).  These parameters should be
specified for the first variable (VIINDX or WINDY) that appears using the
DIVERGENCE method.  The other variable (WINDY or WINDX) should also use
the DIVERGENCE method, but no parameter need be included.  The vertical
method for both of these variables should also be DIVERGENCE.  This method
cannot be specified for SPEED or DIRECTION.   The DIVERGENCE method requires
that the files DIFFBREAK, REGIONTOP, and TEMPERATUR be attached to the run.

     The methods VECTORIZE and POLARIZE are  used only to calculate the
three-dimensional arrays.  Necessary conversion of station values and pro-
file values are handled automatically.

q.   POLARIZE

     This method can only be specified for the variables SPEED and DIRECTION.
The values of SPEED and DIRECTION will be calculated from the vector compon-
ents WINDX and WINDY.  This method should be used if printouts of gridded
SPEED and DIRECTION are desired.  Some method other than VECTORIZE (dis-
cussed next) should be specified for WINDX and WINDY if POLARIZE is used.
No parameters are required.
                                  A
r.   VECTORIZE

     This method is used to convert SPEED and DIRECTION to WINDX and WINDY.
This method should be used to calculate the  output variables WINDX and
WINDY if gridded SPEED and DIRECTION values  are given or .calculated by the
program.  POLARIZE should not be the method  used for SPEED and DIRECTION
if VECTORIZE is used for WINDX and WINDY.
                                     VI-15

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7.   Vertical Methods

     The vertical methods are used to define values of the output variables
at each vertical cell, given the values at ground level.  Each method
assumes that ground-level values already exist and are in internal units.
These methods are designated in the VERTICAL METHOD packet, which is dis-
cussed in Section B.10 of this chapter.  The first eight vertical methods
(a through h) can be used by any of several data preparation programs;
the remaining methods (i through k) are each specific to a single program.

a.   CONSTANT

     Values in each vertical cell are equal to the ground-level value.
This method requires no additional parameters.

     There are four vertical methods that require the input of a vertical
profile to describe the shape of the vertical distribution of values.
These vertical methods require that the DIFFBREAK and REGIONTOP files
be attached.  For two of these methods, ABSPROFILE and RELPROFILE, the
ground-level value only is used in calculating vertical distribution.
For 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.

     Each of these general vertical profile methods can be used in either
the "absolute" or "relative" mode.  In the absolute mode, the heights pro-
vided with each profile point are directly used 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 diffusion break or top of region at the specified location
of the profile.
                                    VI-16

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b.   ABSPROFILE

     The vertical profile input describes the shape of the vertical dis-
tribution of values using the ground-level value.   The height of each cell
above ground is compared with the height of each profile point to determine
the scaling factor to be used.  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 (H,, F,) corresponds to ground level, the following
transformation is applied to all pairs:

                             U I  — U    U
                             H.  - H, - H,

                             F!  = F,/F,    .

The profile is thus 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,  find the average height
(A|<) of each vertical cell (k) as a function of the diffusion break and top
of the region.  If the ground-level value at that location is V-,, then
                             = factork*V1
where
        factor^
                    Fn ' if  Ak > Hn
                                    VI-17

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C.   RELPROFILE

     The vertical profile input describes the shape of the vertical distri-
bution of values using the ground-level value.  The height of each cell
relative to the height of the diffusion break is compared to the height of
each profile point relative to its diffusion break to determine the scaling
factor to be used.  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
(H,, F,) corresponds to ground level, the following transformation is
applied to all pairs:  For all i,

                            HI - (H. - H^/DB     .
where DBp = diffusion break at profile location.  The profile is thus
considered to be the set of pairs (Hj, 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
Ak of each vertical cell k as a function of the diffusion break and top of
the region.  Then convert the absolute height A. to the height of the cell
relative to the diffusion break at that location:
                              ft! = _K
                              Ak   DB
If the ground-level value at that location is V,, then
                                factork*V]
where
   factor.
              F; .  if  \ » H;    8
                     A1 - HI
              ' < 1   TTi   uT"
                                     VI-18

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d.   ABSPROFRAT

     The vertical profile input describes the shape of the vertical  dis-
tribution 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 height of each cell  above ground is compared with
the height of each profile point to determine the contribution factor to
be used.  The profile is input as a set of pairs (H., F.), where H is
height and F is a profile value 0 < F < 1.  F = 0 means that the
ground-level value only should be used.  F =  1  means that the  other  (top)
value only should be used.  (The exact formula  is shown below.)  Since  it
is assumed that the pair (H,, F.) corresponds to ground level, the follow-
ing transformation is applied to all heights:  For all i,
                             Hi
                        -  H
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 vertical cell k as a function of the diffusion break and top of
the region.
other (top) value is V., then
If the ground-level  value at that location  is  V   and  the
                     Vk = Vg + factor, (V, - Vg)
where
     factor.
                 1.0 , If  A' >
                        A' - H!
                                      VI-19

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e.   RELPROFRAT

     The vertical profile input describes the shape of the vertical  distri-
bution 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 height of each cell relative to the diffusion break  is
compared to the height of each profile point relative to its diffusion
break in order to determine the contribution factor to be used.  The pro-
file is input as a set of pairs (H., F.), where H is height and F is a
profile value, 0 < F < 1.  F = 0 means that the ground-level value only
should be used.  F = 1 means that the other (top) value only 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. - H^/DBp

where DBp = diffusion break at profile location.  The profile is now con-
sidered 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
Ak of each vertical cell k as a function of the diffusion break and top of
the region.  Then convert the absolute height Ak' to the height of the cell
relative to the diffusion break at that location:

                                     Ak
                               A1  = —
                               M k   DB

If the ground-level value at that location is V  and the other (top) value
is Vt, then

                        Vk " Vg + factork 
-------
  factor.  = .
             i.o, if
                       - H! n
                                          ,  if
f.   E-W INTERP (East-West Interpolation)

     For each row a linear interpolation will  be  carried  out  between  values
in the bordering cells in the east and west edges of the  row.   This subre-
gion 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.

g.   N-S INTERP (North-South Interpolation)

     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.

h.   VERTUSER (User-Supplied Algorithm)

     For each file containing vertically  varying  data,  the file preparation
program is designed to call a user-supplied subroutine  for any  variable
for which the vertical method VERTUSER has been selected. All  available
data are passed to the subroutine as arguments.  At  present,  all  vertical
user subroutines are dummies; as new methods are  developed, they  can  be
inserted in user subroutines,and parameter values can be  read and passed
as for any of the standard vertical methods.
                                      VI-21

-------
     To create the PTSOURCE file, a vertical  method must be chosen for
determining the height at which the emissions from each point source enter
the modeling region.  Two vertical methods have been provided:  STACKHGT
and PLUMERISE, described below.  Each of these vertical methods requires
that the DIFFBREAK and REGIONTOP files be attached to the run.

i.   STACKHGT

     The emissions enter the region in the vertical cell that contains
the top of the stack.  No additional parameters are required.

j.   PLUMERISE

     Plume rise is calculated by the Briggs formulae [see Briggs (1975)].
For this vertical  method the TEMPERATUR, METSCALARS, and WIND files must
also be attached to the run.  PLUMERISE requires no other parameters.

k.   DIVERGENCE

     The vertical  method DIVERGENCE is used only for the WIND file.  If
DIVERGENCE has been specified in the METHOD packet for WINDX and WINDY,
it must also be specified in the VERTICAL METHOD packet for those varia-
bles.   No other parameters are required.
                                     VI-22

-------
B.   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 outlining the definition of each field on
        the cards.
     >  An exhibit showing the appearance (format) of the
        packet as a whole.

1.   CONTROL Packet Rules

     The CONTROL packet must always be the first packet input.  The first
three cards are the packet header, and the name and identifier of the file
to be created.  The next five cards contain counters for dimensioning
arrays, and input and output option specifications; the standard entries
are listed in Table VI-2.  These control parameters are used in" different
combinations for different programs; each file preparation description in
Chapter VII includes a table of the specific control parameters required
for each file.  For some files, some control parameters do not apply;
these parameters are listed as "Spare" and any values are ignored.  Follow-
ing the control cards are those containing species names, if any, and the
time span of the file.  The contents of each card in the CONTROL, packet
are described in Table VI-3, and the format is shown in Exhibit VI-1.
                                      VI-23

-------
Table VI-2.  Standard Entries for Cards 4 Through  8
             of the CONTROL Packet for M.E.B.  Files
    Card
   Number                 Entries
             Number of species
             Number of user-defined variables
             Number of stations
             Number of subregions
             Number of parameters
             Spare
             Output file number
             Print input cards
             Print output grid
             Spare
             Spare
             Spare
             Print units table
             Print station locations table
             Print regional grid
             Print methods table
             Print station values table
             Spare
             Number of vertical parameters
             Number of heights in profile
             Print vertical methods table
             Print vertical profile tables
             Spare
             Spare
             DIFFBREAK file number
             REGIONTOP file number
             TOPCONC file number
             TEMPERATUR file number
             METSCALARS file number
             WIND file number

                         VI-24

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                              VI-31

-------
2.   REGION Packet Rules

     The REGION packet must follow the CONTROL packet.   It contains a com-
plete definition of the location, size, and resolution  of the modeling
region.  The same REGION packet values should be used to prepare all M.E.B.
files for a given region.  The contents of each card in the REGION packet
are described in Table VI-4 and the format is shown in  Exhibit VI-2.
                                      VI-32

-------
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                     VI-36

-------
3.   UNITS Packet Rules

     The UNITS packet must be used whenever values for any species  or
Implicit variable are input in other than internal units.   Additionally,
all user-defined variables must be named in this packet,  even if they are
already in internal units.  When it appears, this packet  should follow the
REGION packet and precede all the others, since it can modify coordinates
specified in other time-invariant packets.

     Table VI-5 shows the internal units for all variables used by  the SAI
Airshed Model.  Table VI-6 shows other standard units that can be used and
the associated conversion factors for each  variable.   Table VI-7 shows the
standard molecular weights for certain 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 species or an implicit variable is not defined in
        this packet, it is assumed to be already in the appro-
        priate internal units.

     >  If the unit name for 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 standard alternate
        units shown in Table VI-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 will be input in nonstandard  units, the
        unit name should be nonblank and scaling factors  pro-
        vided:; conversion will be made using the following formula:
                          varintemal = a*varinput

-------
           Table VI-5.  Implicit Variable Names  and Internal  Units
                        Used in the SAI Airshed  Model
   Variable Name
       Internal Units
       Code
Time
HEIGHT
COORD
DIFFBREAK
REGIONTOP
ROUGHNESS
DIAMETER
SPEED
WINDX
WINDY
CARM
STACKVEL
FLOWRATE
DIRECTION
TEMPERATUR
STACKTEMP
TGRADBELOW
TGRADABOVE
ATMOSPRESS
hr
m
m
m
m
m
m
m/hr
m/hr
m/hr
m/hr
m/hr
m^/hr
radians (from N = 0)
°K
°K
°K/m
°K/m
atm
*
M
M
M
M
M
M
M/HR
M/HR
M/HR
M/HR
M/HR
M3/HR
RADN=0
DEGK
DEGK
DEGK/M
DEGK/M
ATMOSPHERE
EXPCLASS
VEGFACTOR
RADFACTOR
Concentrations
CONCWATER
Point source emissions
unit!ess
unitless
min"'
ppm (yg/m3 for AEROSOLS)
ppm
g-mol/hr
(g/hr for AEROSOLS)
PPM
MICROG/M3
PPM
GM/HR
G/HR
  The units for these variables can not be changed by the UNITS packet.
                                   VI-38

-------
Table VI-6.  Standard Unit Conversions

Variable
TEMPERATUR
/


Standard
Standard Units Unit Code
°Kf DEGK
°C DEGC
°F DEGF
°R DEGR
HEIGHT mf M
COORD /
ROUGHNESS 1
DIFFBREAK /
REGIONTOP 1
DIAMETER ^
SPEED
WINDX /
WINDY 1
CARM ]
STACKVEL >>


V
DIRECTION







cm CM
km KM
in IN
ft FT
mi MI
m/hrf M/HR
km/hr KM/HR
mi/hr MI/HR
m/min M/MIN

-------
Table VI-6 (Continued)

Variable. Standard Units
TGRADUPPER 0K/mf
TGRADLOWER





°K/km
°C/m
°C/km
°F/ft
°F/mi
8R/ft
°R/mi
ATMPRESS atm1"
(Bars
mm of Hg
ft of H20
kg/ cm2
in of Hg



lb/in2
psi
millibars
Mn of H20
Concentrations ppm +
CONCWATER / pptm-
1 pphm
1 PPb
I g mol/m3
<



Ib mol/ft3
yg/m3
g/m3
lb/ft3
Standard
Unit Code
DEGK/M
DECK/ KM
DEGC/M
DEGC/KM
DEGF/FT
DEGF/MI
DEGR/FT
DEGR/MI
ATMOSPHERE
BARS
MMHG
FTH20
KG/CM2
INHG
LB/IN2
PSI
MILLIBARS
INH20
PPM
PPTM
PPHM
PPB
GM/M3
LBM/FT3
MICROG/M3
G/M3
LB/FT3

a*
-9.0
0.001
-9.0
0.001
1.822689
0.0003452
1 .822689
.0.0003452
-9.0
0.986923
0.0013158
0.029499
0.967841
0.0334211
0.068046
0.068046
0.0009869
0.0024582
-9.0
0.1
0.01
0.001
.24400
3.876x10"
-0.0244
-24400
-3.876x10"

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
           VI-40

-------
                       Table VI-6  (Concluded)
Standard
Variable Standard Units Unit Code
Point Source emissions g-mol/hr^" GM/HR
g-mol/day GM/D
/ Ib-mol/hr LBM/HR
1 Ib-mol/day LBM/D
1 kg/hr KG/HR
) kg/day KG/D
' Ib/hr LB/HR
Ib/day LB/D
ton/hr TON/HR
ton/day TON/D
ton/year TON/YR

a*
-9.0
0.. 041 6667
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
* When the multiplicative factor (a)  is  negative,  but  not  -9.,  the molec-
  ular weight is used in the denominator,  and  the  absolute value  of  a  is
  used as the multiplier.

t Internal units.
                                  VI-41

-------
Table VI-7.  Standard Species Names and Molecular
             Weights Used for Unit Conversion
Species
NO
N02
CO
03
H202
S02
HN02
H20
02
C02
S04
PAN
PAR
OLE
ETH
ARO
AEROSOLS
CH4
TOTAL HC
SOX
NOX
OXIDANT
Molecular Weight
30.
46.
28.
48.
34.
64.
47.
18.
32.
44.
96.
121.
16.
32.
32.
96.
1.
16.
16.
64.
46.
48.
                       VI-42

-------
        If the variable is a species  and the  input  values will
        be in mass units rather than  mole units, the  following
        formula will  be used:
               varinternal  =  a*varinut  + W"1 wt
     >  If both a standard unit name and  scaling factors are
        specified, a warning message will  be  printed  and the
        user's scaling factors  will  be used.

     >  A designation of -9.0 indicates that  the conversion
        factor is not to be applied.

     >  If the factor fields are not blank or zero, a molecular
        weight must be entered  on the card.   If the variable
        does not have a molecular weight,  e.g., as in TEMPERATUR,
        either a -9.0 or a +1.0 should be entered in  the molecu-
        lar weight field.

     The contents of each card  in the UNITS packet are  shown  in Table VI-8
and the format is given in Exhibit VI-3.
                                   VI-43

-------
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                                                                   VI-44

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-------
4.   STATIONS Packet Rules

     The STATIONS packet must be included if the methods  STATINTERP,  POISSON,
or DIVERGENCE are used for any variable.   The STATIONS  packet,  if present,
must appear before the first time interval;  it must include  all  stations
for which values may appear at any time within the span of the  file.   The
number of station cards must not exceed the  maximum number of stations spe-
cified in the CONTROL packet.  Duplication of station names  is  considered
an error resulting in termination of the run.  The contents  of  each card  in
the STATIONS packet are shown in Table VI-9  and the format is given in
Exhibit VI-4.
                                    VI-47

-------
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                    VI-49

-------
5.   POINT SOURCES Packet Rules

     The POINT SOURCES packet is used for preparing the PTSOURCE  file;  it
must appear before the first time interval  and include all  point  sources
for which values may appear at any time within the span of the file.
There are two cards (a pair) required for each point source,  and  the  num-
ber of pairs must equal the number of point sources specified on  Card 4
of the CONTROL packet.  Duplication of point source names is  considered
an error, resulting in termination of the run.  The contents  of each  card
in the POINT SOURCES packet are shown in Table VI-10 and the  format is
given in Exhibit VI-5.
                                    VI-50

-------
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VI-52

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-------
6.   BOUNDARIES Packet Rules

     The BOUNDARIES packet, used for preparing the BOUNDARY file, must
appear before the first time interval.  It contains a set of line segments that
define the boundary of the simulated area;  each line segment  is  defined  by two
coordinate pairs that represent its end points.  The line segments 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 area must not have any nonsimulated cells between them.

     The boundary line segments outline the edge cells within the inner
area to be simulated. ' Figure VI-1 shows a 17 x 22 cell region in which
the inner 15 x 20 area is to be simulated.  In the figure, the boundary
line segments are indicated by dotted 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 cell in which it lies.
The number of boundary line segments input must not exceed the maximum
number specified on Card 4 of the CONTROL packet.  .Duplication of line
segment names is considered an error resulting in termination of the run.

     The contents of each card in the BOUNDARIES packet are shown in
Table VI-11 and the format is given in Exhibit VI-6.
                                    VI-54

-------
    X'
Figure VI-1.  Definition of Boundary Line Segments
                       VI-55

-------
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                                                                VI-56

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-------
7.   TIME INTERVAL Packet Rules

     A series of TIME INTERVAL packets follows the tine-invariant data.
The time intervals must be contiguous, must go forward, 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 contents of each
card in the TIME INTERVAL packet is shown in Table VI-12 and the format is
given in Exhibit VI-7.  The other time-varying packets that can be included
within the TIME INTERVAL packet for a given file are shown in the appropri-
ate section of Chapter VII; their formats and rules are described in the
remainder of this chapter.
                                    VI-58

-------
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                        VI-60

-------
8.   SUBRE6ION Packet Rules

     The-entire modeling region can be divided into subregions for data
preparation purposes.  Different data preparation methods or other param-
eters can be associated with each subregion.   (These subregions should
not be confused with "segments," which are divisions of the region for
simulation purposes.)  The subregion definitions may likely be different
for the preparation of different types of data files; in fact, a subregion
definition can be changed within the time span of a given file depending
on the availability of or assumptions about the data.
                                                                        *
     A subregion name must be assigned to each grid square in the modeling
region.  The maximum number of subregion names thatmay  be assigned is spe-
cified in the CONTROL packet.  If this number = 1, the entire 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 allowed  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.  F:or that
row, a column number and cell  count, n,  are  specified.   Beginning  at
that column, the subregion name will be repeated for n columns along the
row.  The following conditions constitute errors resulting in termination
of the program:

     >  The  cell count extends  the  column  count  beyond  the
        edge of the region.
     >  Any grid cell is unassigned.
     >  The number of subregion names exceeds the maximum number
        specified  in the CONTROL packet.
                                     VI-61

-------
     If the entire region is to be treated as one subregion,  the SUBREGION
packet should contain the following information:

          SUBREGION

          A
          END

where A (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
cards.

     The contents of each card in the SUBREGION packet are shown in Table
VI-13 and the format is given in Exhibit VI-8.
                                    VI-62

-------
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-------
9.   METHOD Packet Rules

     The METHOD packet is used to define the calculation  method  to be  used
for ground-level values of each variable in each  subregion;  it is  required
for all of the M.E.B.  files except METSCALARS.  The METHOD packet  must
appear in the first time interval, and it must  directly follow the SUBREGION
packet.  In subsequent time intervals, the methods  previously defined  will
persist unless they are respecified.   If new subregions are  defined in later
time intervals, methods must also be  defined for  them.  The  contents of each
card in the METHOD packet are shown in Table VI-14  and the format  is given
in Exhibit VI-9.  Within the METHOD packet, each  Method Definition card must
be followed by its Parameter cards, if any.  All  of the calculation methods
and the parameters required by each one are defined in Section VI.A.6.
Chapter VII lists the particular methods that can be used for each file.
                                    VI-65

-------
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10.  VERTICAL METHOD Packet Rules

     In general, where it is necessary to determine the values  of variables
in grid cells above ground level, a VERTICAL METHOD packet is  required.
The VERTICAL METHOD packet is used to define the calculation method to be
used for obtaining values of each variable above ground level  in each sub-
region.  The VERTICAL METHOD packet must appear in the first time interval;
it must follow the METHOD packet and precede the VERTICAL PROFILES packet
(if any).  In subsequent time intervals, the vertical  methods  previously
defined will persist unless they are respecified.   If  new subregions are
defined in later time intervals, vertical methods must also be defined for
them.  Within the VERTICAL METHOD packet, each vertical method definition
card must be followed by its parameter cards, if any.   All of  the vertical
calculation methods and the parameters required by each one are defined in
Section VI.A.7.  Chapter VII lists the particular vertical methods that
can be used for each file.  The contents of each card  in the VERTICAL METHOD
packet is shown in Table VI-15, and the format is given in Exhibit VI-10.
                                    VI-69

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-------
11.  CONSTANTS Packet Rules

     The CONSTANTS packet is required in the first time interval  if the
method for any variable in any subregion has been specified as CONSTANT.
All constant values can be included in one packet or,  if desired, they
can be grouped in several packets.  In either case, all constant  values
must be specified in the initial time interval  and will persist in sub-
sequent time intervals unless they are explicitly changed.   The contents
of each card in the CONSTANTS packet are shown in Table VI-16 and the
format is given in Exhibit VI-11.
                                    VI-73

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-------
12.  GRID VALUES Packet Rules
    •
     The GRID VALUES packet must be included  in  the  first  time  interval if
the method for any variable in any subregion  has been  specified as GRID
VALUE;  All grid values can be included in one packet or,  if desired,  they
can be grouped in several  packets.  In either case,  all  grid  values must
be specified in the initial time interval  and will persist in subsequent
time intervals unless they are explicitly  changed.   The  contents  of each
card in the GRID VALUES packet are shown in Table VI-17  and the format is
shown in Exhibit VI-12.
                                  VI-76'

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                                                         VI-77

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-------
13.  STATION READINGS Packet Rules

     The STATION READINGS packet must appear in the first time interval
when the method for any variable in any subregion has been specified as
STATINTERP, POISSON, or DIVERGENCE.  A value that does not appear in the
first time interval for a station-variable pair is recognized as
"missing", and the station will  not be included in the calculation.   In
subsequent time intervals, the STATION READINGS packet can be used  to
modify existing data 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 supplying a value of -9.0.
     >  A "missing" reading can be changed to "nonnissing" by
        supplying a value.

For any station-variable pair not supplied, the previous values, "missing"
or not, will persist.  The contents of each card in the STATION READINGS
packet is shown in Table VI-18 and the format is given in Exhibit VI-13.
                                   VI-79

-------
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14.  EMISSIONS VALUES Packet Rules

     The EMISSIONS VALUES packet is used to create the PTSOURCE file.   It
provides emissions values for those variables for which the method EMVALLIES
was specified.  The EMISSIONS VALUES packet must be included in the first
time interval (unless all emissions are zero); any value not appearing in
the first time interval for a point source-species pair will be assumed to
be zero.  In subsequent time intervals, existing data will  persist unless
explicitly changed.  If all point sources of a given type have the same emis-
sions values, the type can be specified instead of individual  point source
names.

     If the vertical method PLUMERISE has been specified for a point source
type, the variable FLOWRATE must be either input in the EMISSIONS VALUES
packet or calculated.  If it is not input, it will be calculated from the
stack diameter and exit velocity input in the POINT SOURCES packet.

     The contents of each card in the EMISSIONS VALUES packet are shown in
Table VI-19 and the format is given in Exhibit VI-14.
                                  VI-82

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-------
15.  EMISSIONS FACTORS Packet Rules

     The EMISSIONS FACTORS packet can be input for a  given  time  interval to
scale the emissions values previously input.   The  factors are  used  only  if
the method EMFACTORS was specified 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
factors are not input, they are assumed to be 1.0  (or the previous  value
specified).  Emissions factors are applied to numbers in internal units—they
are thus to be used to describe temporal variation rather than unit conver-
sion.  The contents of each card in the EMISSIONS  FACTORS packet are  shown
in Table VI-20 and the format is given in Exhibit  VI-15.
                                  VI-85

-------
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                     VI-87

-------
16.  BOUNDARY READINGS Packet Rules

     The BOUNDARY READINGS packet is used to create the BOUNDARY  file;  it
provides values forthose  variables for which the method BOUNDVALUE was
specified.  The packet must be input for the first time interval.   Concen-
tration values at ground level are specified for each species  for each
boundary line segment; missing values are considered an error.   In subse-
quent time intervals, only the data to be changed need be specified. The
contents of each card in the BOUNDARY READINGS packet is shown in Table
VI-21, and the format is given in Exhibit VI-16.
                                 VI-88

-------
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              VI-90

-------
17.  SCALARS Packet Rules

     The SCALARS packet must be input for the first time interval  for the
METSCALARS file.  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 subse-
quent time intervals, only the data to be changed need be specified.   The
contents of each card in the SCALARS packet is shown in Table VI-22 and
the format is given in Exhibit VI-17.
                                  VI-91

-------
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             VI-93

-------
18.  VERTICAL PROFILES Packet Rules
•
     For some vertical  methods,  a profile is required (see Section  VI.A.7
for details).  The VERTICAL PROFILES packet must contain a profile  for  each
subregion-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 represents ground level.  There can be only one vertical pro-
file specified for a given subregion and variable.   Each profile  consists
of a description card followed by a set of height/value pairs.  The con-
tents of each card in the VERTICAL PROFILES packet  is shown in  Table VI-23
and the format is given in Exhibit VI-18.
                                 VI-94

-------
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                      VI-97

-------
         VII   M.E.B, FILE PREPARATION  RULES AND EXAMPLES
     Chapter VI presented  the data  preparation packets—the building blocks
used to generate the M.E.B.  data  files.  This chapter presents detailed
instructions for the creation of  each  file, using the packets described
above.

     The preparation of some data files may require that other files
be input, depending on the method used.  In general, vertically varying
files may require information from  DIFFBREAK and REGIONTOP to define
the vertical distribution  of grid cells.  The following is a suggested
order of file preparation, assuming methods requiring the greatest file
dependency.  This order may be varied, depending on the requirements of
the actual methods used.
     >  DIFFBREAK.
     >  EMISSIONS.
     >  METSCALARS.
     >  TEMPERATUR.
     >  TERRAIN.
     >  REGIONTOP (requiring DIFFBREAK).
     >  TOPCONC (requiring DIFFBREAK and REGIONTOP).
     >  AIRQUALITY  (requiring DIFFBREAK, REGIONTOP, and TOPCONC).
     >  BOUNDARY  (requiring DIFFBREAK,  REGIONTOP, and TOPCONC).
     >  WIND (requiring DIFFBREAK,  REGIONTOP, and TEMPERATUR).
     >  PTSOURCE  (requiring DIFFBREAK,  REGIONTOP, METSCALARS,
        TEMPERATUR,  and WIND).

     The output from each program can include a printout of the innnt
a title page, tables of methods,  vertical methods,  vertical  profiles,
a subregion grid, and grids of output variable values.  In this manual,
                                   VII-1

-------
a sample of each type of output is  shown  only  for  the  AIRQUALITY  file
(Exhibit VII-2).  For the other M.E.B.  files,  only the title  page, methods
tables, and an output grid sample are shown.

     The data file preparation instructions  are  presented  alphabetically
by file name; each section includes:

     >  A short description of the  file.
     >  The variables required and  their  units •
     >  The computation methods that  can  be  used.
     >  The time variation represented.
     >  The arrangement of packets  in the input  deck and special
        instructions for each one.
     >  Additional input files required.
     >  Sample input and output from  a  file  generation run.
                                  VII-2

-------
A.   AIRQUALITY

     The AIRQUALITY file contains a three-dimensional  matrix of concen-
trations for any number of chemical species.  Its primary purpose is to
provide the set of initial conditions for the beginning of the modeling
period; however, it can also be used to prepare a three-dimensional  dis-
tribution of measured data in any time interval for use in comparison
studies.  The program AIRQUL is used to create the AIRQUALITY file.
AIRQUL requires subroutines from the libraries UTILITY and FILUTIL.
Figure VII-1 is an information flow diagram illustrating the job control
to be used.  The following sections discuss the input to the AIRQUL
program.

1.   Variables

     The output variables for the AIRQUALITY file are the species named
in the CONTROL packet.  Additional user-defined input variables (e.g.,
"reactive hydrocarbons") can be specified in the UNITS packet.  The
internal units for the concentrations of all species except AEROSOLS are
parts per million (ppm); for AEROSOLS, the units are micrograms per cubic
meter (ug/m ).  The standard names for reactive species currently recog-
nized by the Airshed Simulation Program are listed in Section IX.A.   If
any of these species does not appear on the AIRQUALITY file, the initial
concentrations will default to a value defined in the CHEMPARAM file.  If
any additional species appear on AIRQUALITY, they will be ignored.

2.   Methods

     The methods that can be used to generate the AIRQUALITY file are:

     >  CONSTANT
     >  GRID VALUE
     >  STATINTERP
     >  POISSON
                                   VII-3

-------
          IDIFFBREAKh	
           	V
                   L (12)
          REGIONTOPT-----
          TOPCONC

J1J)	,
                                         )ther Packets
  r
                                     /^REGION
                                     y
                                     CONTROL
                                         (5)
                          AIRQUL/
                            UTILITY
                            FILUTIL
                         (6)
                   Initial
                   Conditions
lAIRQUALITYl
Figure VII-1.    Information Flow Diagram for  the  AIRQUALITY  File
                                VII-4

-------
     >  SPLIT/ON*
     >  E-WINTERP
     >  N-SINTERP
     >  USER.

These methods are discussed in detail  in Section VI.A.6.

     Since the AIRQUALITY file varies  in the vertical  direction,  a ver-
tical method must also be specified for each output variable in each sub-
region.  The vertical  methods that can be used'are:

     >  CONSTANT
     >  ABSPROFILE
     >  RELPROFILE
     >  ABSPROFRAT
     >  RELPROFRAT
     >  E-WINTERP
     >  N-SINTERP
     >  VERTUSER.

These vertical methods are discussed in detail  in Section VI.A.7.

3.   Time Variation

     The concentrations on the AIRQUALITY file are used as initial con-
ditions for the Airshed Simulation Program.   The time span of the file
must therefore include the beginning simulation time.   Furthermore, the
time interval containing the data to be used must begin at or before the
simulation starting time and must end  after the simulation starting time.
In the example in Exhibit VII-1 in this chapter, the time interval for
the initial concentrations is 0500 to  0501.
                                 VII-5

-------
4.   Packets

     Figure VII-2 shows the input deck structure in  terms  of the  packets
to be used.  Each of these packets is  described  in detail  in Section  VLB.
Following are special input packet considerations for  the  file:

     >  CONTROL
        -  The file name on Card 2 must be  AIRQUALITY.
        -  The control  variables to be specified on  Cards  4  to 8
           for AIRQUALITY are shown in Table  VII-1.
        -  The number of species must  be greater than  zero.
        -  If there are input variables that  do  not  appear as output
           variables, their number must appear as the  number of user-
           defined variables.  All such variables must also  be named.
        -  If data from measuring stations  are to be used  (methods
           STATINTERP or POISSON), the maximum number  of such sta-
           tions must be given.
        -  The number of subregions must be at least one.
        -  The maximum number of parameters must be  sufficient to
           include all  specifications  of all  parameters.
        -  The vertical controls card  (No.  7)  must include maximum
           vertical parameter and profile entries as applicable.
        -  The file unit assignment card (No.  8) must  provide entries
           for the DIFFBREAK, REGIONTOP, and  TOPCONC files if, and
           only if, these files are required  by  the  vertical methods
           selected.
        -  The beginning and ending dates and times  should reflect
           the time variation considerations  discussed in  Section 3
           above.
        -  A set of output species names is required;  their  number
           must be the same as the entry in the  first  control param-
           eter on Card 4.  If either  the ABSPROFRAT or RELPRCFRAT
           vertical method is selected for any variable, the output
           species names specified here must  match  the species
           names on the TOPCONC file.
                                    VII-6

-------
                        can  be repeated
                                                           VERTICAL  PROFILES
                                                         must appear in
                                                         first time interval
Figure VI1-2.   Input Card Deck Structure for Preparing the AIRQUALITY File
                                      VII-7

-------
  Table VII-1.  CONTROL Packet Entries for
                the AIRQUALITY File
 Card
Number     	Entry	
  4        Number of species
           Number of user-defined variables
           Number of stations
           Number of subregions
           Number of parameters
           Spare
  5        Output file number
           Print input cards
           Print output grid
           Spare
           Spare
           Spare
  6        Print units table
           Print station locations table
           Print regional grid
           Print methods table
           Print station values  table
           Spare
  7        Number of vertical parameters
           Number of heights in  profile
           Print vertical methods table
           Print vertical profile tables
           Spare
           Spare
  8        DIFFBREAK file number
           REGIONTOP file number
           TOPCONC file number
           Spare
           Spare
           Spare
                    VII-8

-------
>  REGION.   This packet must follow the  CONTROL  packet.  The
   vertical  parameters must be provided  for  the  AIRQUALITY  file.
>  UNITS.   This packet, if present, must follow  the  REGION
   packet.   The UNITS packet must be provided  if:
   -  Any input variable will  be input in other  than internal
      units.
   -  Any user-defined variables are specified.
   -  COORD or HEIGHT unit conversions are to  be used.
   The number of user-defined variables  must not exceed  the
   maximum specified in the CONTROL packet.
>  STATIONS.  This packet is required if either  of the methods
   STATINTERP or POISSON is specified.  The  number of stations
   listed must not exceed the maximum specified  in the CONTROL
   packet.
>  TIME INTERVAL.  One or more TIME INTERVAL packets must  be
   present.  The first time interval must begin  at or before
   the beginning of the time span specified  on Card  10  of  the
   CONTROL packet.  All time intervals must  be contiguous
   and of nonzero length.  Each TIME INTERVAL  packet contains
   one or more of the following packets  and  ends with an
   ENDTIME card.  Following the first time interval, only
   those data that are to be changed need be specified.
>  SUBREGION.  The first time interval must  contain  a SUBREGION
   packet;  the inclusion of this packet  in other time intervals
   is optional.  The number of subregions must not exceed  the
   maximum specified in the CONTROL packet.
>  METHOD.   A method must be provided for every  variable-
   including user-defined variables—in  every  subregion  in  the
   first time interval.  Methods can be  changed  in subsequent
   TIME INTERVAL packets if desired.  Note that  each parameter
   entry contributes to the overall parameter  count; the total
   number of parameters must not exceed  the  maximum  specified
   in the CONTROL packet.
                          VII-9

-------
     >   VERTICAL METHOD.  A vertical method must be provided for every
        variable—including user-defined variables—in every subregion
        in  the  first time interval.  Vertical methods can be changed
        in  subsequent TIME INTERVAL packets if desired.  Note that
        each  vertical parameter entry contributes to the overall ver-
        tical parameter count; the total must not exceed the maximum
        specified in the CONTROL packet.
     >   CONSTANTS.  If the method CONSTANT is assigned to any variable
        in  the  METHOD packet, the first time interval must contain a
        CONSTANTS packet.  More than one CONSTANTS packet can appear
        in  any  time interval.
     >   GRID  VALUES.  If the method GRID VALUE is assigned to any
        variable in the METHOD packet, the first time interval must
        contain a GRID VALUES packet.  More than one GRID VALUES
        packet  can appear in any time interval.
     >   STATION READINGS.  If either the POISSON or STATINTERP method
        is  assigned to any species in the METHOD packet, the first
        time  interval must contain a STATION READINGS packet,.  More
        than  one STATION READINGS packet can appear in any time
        interval.
     >   VERTICAL PROFILES.   If any of the profile methods are assigned
        to  any  species in the VERTICAL METHOD packet, the first time
        interval must contain a VERTICAL PROFILES packet.  There must
        be  a  vertical profile defined (or implied using ALL) for
        every variable in every subregion for which a profile method
        was specified.  The  number of height-value pairs in any single
        profile must not exceed the maximum specified in the CONTROL
        packet. More than one VERTICAL PROFILES packet can appear in
        any time  interval.

5.   Additional Input Files

     If any vertical method  besides  CONSTANT was selected,  the  DIFFBREAK
and REGIONTOP files must be  Input to AIRQUL.   In addition,  if either  of
                                     VII-10

-------
the vertical methods ABSPROFRAT or RELPROFRAT was selected, the TOPCONC
file must also be input.

6.   Examples

     Exhibit VII-1 shows a sample input deck for AIRQUALITY file generation.
The output from an AIRQUL run using that input deck is shown in Exhibit VII-2.
                                 VII-11

-------
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-------
B.   BOUNDARY

     The BOUNDARY file contains a time-invariant definition  of the bound-
aries of the region to be modeled and time-varying  matrices  of pollutant
concentrations in each external boundary cell.   These boundary values  are
used by the Airshed Simulation Program to represent pollutant  concentra-
tions passing over the boundary into the modeling region.  The program
BNDARY is used to create the BOUNDARY file.   BNDARY requires subroutines
from the libraries UTILITY and FILUTIL.  Figure VI1-3 is  an  information
flow diagram illustrating the job control to be used.  In the following
sections we discuss the input to the BNDARY  program.

1.   Variables

     The output variables for the BOUNDARY file are the species named
in the CONTROL packet.  Additional user-defined input variables (e.g.,
"reactive hydrocarbons") can be specified in the UNITS packet.  The inter-
nal units for the concentrations of all species except AEROSOLS are parts
per million (ppm); for AEROSOLS, the units are micrograms per cubic meter
(ug/m ).  The standard names for reactive species recognized by the Airshed
Simulation Program are listed in Section IX.A.   If  any of these species
does not appear on the BOUNDARY file, the boundary  concentrations will
default to a value defined in the CHEMPARAM file.  If any additional
species appear on BOUNDARY, they will be ignored.

2.   Methods

     The methods that can be used to generate the BOUNDARY file are:

     >  CONSTANT
     >  BOUNDVALUE
     >  SPLIT/C01«
     >  USER.

The methods CONSTANT and BOUNDVALUE are equivalent.  All  these methods are
discussed in detail in Section VI.A.6.
                                  \/ T T **n

-------
                 L (ID
        DIFFBREAKT	
                 /  (12)
        REGIONTOPT	
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          CONTROL
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                          UTILITY
                          FILUTIL
                        (6)
           (22)
                  Boundary
                  Conditions
         BOUNDARY
Figure VII-3.    Information Flow Diagram for the  BOUNDARY File
                            VII-31

-------
     Since the BOUNDARY file varies in the  vertical direction, a vertical
method must also be specified for each output  variable  in each subregion.
The vertical methods that can be used  are:

      >  CONSTANT
      >  ABSPROFILE
      >  RELPROFILE
      >  ABSPROFRAT
      >  RELPROFRAT
      >  VERTUSER.

 These vertical methods are discussed  in  detail  in Section VI.A.7.

 3.   Time Variation

      The time span of the BOUNDARY file  must  include the entire time
 span of the simulation runs for which it is to  be used.  Boundary con-
 centrations are considered to be constant  during each  time interval.

 4.   Packets

      Figure VI1-4  shows the input deck structure in terms of the packets
 to be used.  Each  of these packets is described in detail in Section VLB.
 Following are special  input packet considerations for  the BOUNDARY file:

      >  CONTROL
         -  The file name on Card 2 must  be BOUNDARY.
         -  The control variables to be specified on Cards 4 to 8
            for BOUNDARY are shown in  Table VII-2.
         -  The number of species must be greater than  zero.
         -  If there are input variables  that  do not appear as out-
            put variables, their number must appear as  the number
            of user-defined variables. All such variables must also
            be named in the UNITS packet.
                                   VI1-32

-------
                   can be repeated
                                                 VERTICAL PROFILES
                                             BOUNDARY READINGS
                                                         must appear in the
                                                         first time interval
Figure VII-4.   Input Card Deck Structure for Preparing the BOUNDARY  File
                                  VII-33

-------
 Table VII-2.  CONTROL Packet Entries for the BOUNDARY File

 Card
Number          	Entry	
   4            Number of species
                Number of user-defined variables
                Number of boundary line segments
                Spare
                Number of parameters
                Spare
   5            Output file number
                Print input cards
                Print output boundary values
                Spare
                Spare
                Spare
   6            Print units table
                Print boundary line segment locations  table
                Print regional  grid
                Print methods table
                Print boundary values table
                Spare
   7            Number of vertical parameters
                Number of heights in profile
                Print vertical methods table
                Print vertical profile tables
                Spare
                Spare
   8            DIFFBREAK file number
                RE6IONTOP file number
                TOPCONC file number
                Spare
                Spare
                Spare

                                 VH-34  .

-------
-  The number of boundary line segments must be at least
   three.
-  The maximum number of parameters must be sufficient to
   include all specifications of all parameters.
-  The vertical controls card (No.  7)  must include
   maximum vertical parameter and profile entries as
   applicable.
-  The file unit assignment card (No.  8) must provide entries
   for the DIFFBREAK, REGIONTOP, and TOPCONC files if,  and
   only if, these files are required by the vertical methods
   selected.
-  The beginning and ending dates and times should reflect
   the time variation considerations discussed in Section 3
   above.
-  A set of output species names is required; their number
   must be the same as the entry in the first control param-
   eter on Card 4.  If either the ABSPROFRAT or RELPROFRAT
   vertical method is selected for any variable, the output
   species names specified here must match the species  names
   on the TOPCONC file.
REGION.  This packet must follow the CONTROL packet.  The
vertical parameters must be provided for the BOUNDARY file.
UNITS.  This packet, if present, must follow the REGION
packet.  The UNITS packet must be provided if:
-  Any input variable will be input in other than internal
   units.
-  Any user-defined variables are specified.
-  COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
BOUNDARIES.  This packet is required; it names the line
segments that define the boundaries of the region.  The
number of line segments specified must equal the number
specified in the CONTROL packet.


                       VII-35

-------
TIKE INTERVAL.  One or more TIME INTERVAL  packets  roust be
present.  The first time interval  must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet.  All time intervals must be contiguous and
of nonzero length.  Each TIME INTERVAL packet contains one
or more of the following packets and ends  with an  ENDTIME
card.  Following the first time interval,  only those data
that are to be changed need be specified.
METHOD.  A method must be provided for every variable-
including user-defined variables—for every boundary line
segment in the first time interval.  In the METHOD packet,
the boundary line segment name is entered  in the "subregion"
field.  Methods can be changed in subsequent TIME  INTERVAL
packets if desired.  Note that each parameter entry contri-
butes to the overall parameter count; the  total number of
parameters must not exceed the maximum specified in the
CONTROL packet.
VERTICAL METHOD.  A vertical method must be provided for
every variable—including user-defined variables—for every
boundary line segment in the first time interval.   In the
VERTICAL METHOD packet, the boundary line  segment name is
entered in the "subregion" field.  Vertical methods can be
changed in subsequent TIME INTERVAL packets if desired.
Note that each vertical parameter entry contributes to the
overall vertical parameter count; the total must not exceed
the maximum specified in the CONTROL packet.
CONSTANTS.  If the method CONSTANT is assigned to any var-
iable in the METHOD packet, the first time interval must:
contain a CONSTANTS packet.  More than one CONSTANTS packet
can appear in any time interval.
BOUNDARY READINGS.  If the method BOUNDVALUE is assigned to
any variable in the METHOD packet, the first time interval
must contain a BOUNDARY READINGS packet.  More than one
BOUNDARY READINGS packet can appear in any time interval.
                      VII-36

-------
     >  VERTICAL PROFILES.   If any  of  the  profile methods  are assigned
        to any species  in the VERTICAL METHOD packet,  the  first  time
        interval must contain a VERTICAL PROFILES packet.  There must
        be a vertical profile defined  (or  implied using  ALL) for
        every variable  for every boundary  line segment for which a
        profile method  was specified.   In  the VERTICAL PROFILES
        packet, the boundary line segment  name is entered  in the
      ,  "subregion" field.   The number of  height-value pairs in  any
        single profile must not exceed the maximum  specified  in
        the CONTROL packet.  More than one VERTICAL PROFILES  packet
        can appear in any time interval.

5.   Additional Input Files

     If any vertical method besides CONSTANT was selected, the  DIFFBREAK
and REGIONTOP files must be input to BNDARY.  In addition, if  the  vertical
method ABSPROFRAT or RELPROFRAT was selected, the TOPCONC  file  must also
be input.

6.   Examples

     Exhibit VII-3 shows a sample input deck for BOUNDARY  file  generation.
The output from a BNDARY run using that input deck  is shown  in  Exhibit
VII-4.
                               VII-37

-------
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-------
C.   DIFFBREAK

     The DIFFBREAK file contains time-varying two-dimensional  matrices
of diffusion break heights.  The diffusion break is used to define the
distribution of cells in the vertical  direction and to delimit layers  of
the atmosphere with different diffusion characteristics.  The  diffusion
break is usually set to the mixing height or the height of the inver-
sion base.  The program DFSNBK is used to create the DIFFBREAK file.
DFSNBK requires subroutines from the libraries UTILITY and FILUTIL.
Figure VI1-5 is an information flow diagram illustrating the job control
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program.

1.   Variables

     The output variable for the DIFFBREAK file is also named  DIFFBREAK.
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in the CONTROL packet.  The internal units for DIFFBREAK are meters  (m).  If
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     The methods that can be used to generate the DIFFBREAK file are:

     >  CONSTANT
     >  GRID VALUE
     >  STATINTERP
     >  POISSON
     >  E-WINTERP
     >  N-SINTERP
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     These methods are discussed in detail in Section VI.A.6,
                              VII-56

-------
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DIFFBREAK
                                 V
Figure VII-5.    Information Flow Diagram for the DIFFBREAK File
                          VII-57

-------
3.   Time Variation

     The diffusion break values  on  the DIFFBREAK  file are considered
to apply at the beginning of the time interval.   Because the Airshed
Simulation Program calculates diffusion break  values continuously  over
time by linear interpolation, it also requires values at the end of
the time interval.  These are read  by the  program as the values at the
beginning of the next time interval.   Thus,  the last time interval on
the file must begin at or after  the ending simulation time.  For example,
if a simulation is to be made from  0500-1700,  and diffusion break  values
are input hourly, the values used between  500  and 600 are calculated by
interpolating between values input  for the 0500-0600 time interval and
those input for the 0600-0700 time  interval.  Similarly, to calculate
values between 1600 and 1700, the simulation program requires  values for
the interval 1600-1700 as well as another  set  for an interval  beginning
at 1700.

4.   Packets
     Figure VII-6 shows the input deck structure in terms  of the  packets
to be used.  Each of these packets is described in detail  in Section
VLB.  Following are special input packet considerations for the  DIFFBREAK
file:

     >  CONTROL
        -  The file name on Card 2 must be DIFFBREAK.
        -  The control variables to be specified on Cards  4 to 8  for
           DIFFBREAK are shown in Table VI1-3.
        -  The number of species should be zero.
        -  If there are input variables that do not appear as out-
           put variables, their number must appear as  the  number  of
           user-defined variables.  All such variables must also  be
           named in the UNITS packet.
                               VII-58

-------
     can be repeated
                                         must appear in the
                                        first time interval
Figure VII-6.    Input Card Deck Structure for
                Preparing the DIFFBREAK FILE
                 VII-59

-------
Table VII-3.  CONTROL Packet Entries for the DIFFBREAK File


      Number          	Entry	
        4             Number of species (=0)
                      Number of user-defined variables
                      Number of stations
                      Number of subregions
                      Number of parameters
                      Spare
        5             Output file number
                      Print input cards
                      Print output grid
                      Spare
                      Spare
                      Spare
        6             Print units table
                      Print station locations table
                      Print regional grid
                      Print methods table
                      Print station values table
                      Spare
        7             Spare
                      Spare
                      Spare
                      Spare
                      Spare
                      Spare
        8             Spare
                      Spare
                      Spare
                      Spare
                      Spare
                      Spare


                         VII-60

-------
   -  If data from measuring stations  are  to be used  (methods
      STATINTERP or POISSON), the maximum  number of such
      stations must be given.
   -  The number of subregions must be at  least one.
   -  The maximum number of parameters must be sufficient to
      include all  specifications  of all  parameters.
   -  The vertical controls card  (No.  7) should be left blank.
   -  The file unit assignment card (No. 8) should be  left blank.
   -  The beginning and ending dates and times should  reflect
      the time variation considerations discussed in  Section 3
      above.
   -  A set of output species names is not required;  if they
      are present, their number must be the same as the entry
      in the first control  parameter on Card 4, but they will
      be ignored by the program.
>  REGION.  This packet must follow the CONTROL packet.  The
   vertical parameters will be ignored for the DIFFBREAK file.
>  UNITS.  This packet, if present, must follow  the  REGION
   packet.  The UNITS packet must be provided  if:
   -  Any  input variable will be input in  other  than  internal
      units.
   -  Any  user-defined variables  are specified.
   -  COORD or HEIGHT unit conversions are to  be used.
   The number of user-defined variables must not exceed  the
   maximum specified in the CONTROL packet.
>  STATIONS.  This packet is required if either  of  the methods
   STATINTERP or POISSON is specified.  The number  of stations
   listed must not exceed the maximum specified  in  the CONTROL
   packet.
>  TIME INTERVAL.  Two or more TIME INTERVAL  packets  must be
   present.  The first time interval must begin  at  or before
   the beginning of the time span specified on Card 10 of the
   CONTROL packet.  The last time interval must begin at or
                        VII-61

-------
        after the ending time of any simulation run.   All  time  inter-
        vals must be contiguous and of nonzero length.   Each  TIME
        INTERVAL packet contains one or more of the following
        packets and ends with an ENDTIHE card.   Following  the first
        time interval, only those data that are to be changed need
        be specified.
     >  SUBREGION.  The first time interval  must contain a SUBREGION
        packet; the inclusion of this packet in other time intervals
        is optional.  The number of subregions must not exceed  the
        maximum specified in the CONTROL packet.
     >  METHOD.  A method must be provided for every variable--
        including user-defined variables—in every subregion  in the
        first time interval.  Methods can be changed in subsequent
        TIME INTERVAL  packets if desired.  Note that each  parameter
        entry contributes to the overall parameter count;  th€; total
        number of parameters must not exceed the maximum specified
        in the CONTROL packet.
     >  CONSTANTS.  If the method CONSTANT is  assigned  to  any var-
        iable in the METHOD packet,  the first  time interval must
        contain a CONSTANTS packet.   More than one CONSTANTS  packet
        can appear in  any time interval.
     >  GRID VALUES.  If the method GRID VALUE is  assigned to any
        variable in the METHOD packet, the first time interval  must
        contain a GRID VALUES packet.   More than  one GRID  VALUES
        packet can appear in any time interval.
     >  STATION READINGS.  If either the.POISSON  or STATINTERP  method
        is assigned to any variable in the METHOD packet,  the first
        time interval  must contain a STATION READINGS packet.  More
        than one STATION READINGS packet can appear in  any time
        interval.

5.    Additional Input  Files

     No additional input files are required.
                                VII-62

-------
6.   Examples

     Exhibit VII-5 shows a sample input deck for DIFFBREAK file generation.
The output from a DFSNBK run using that input deck is shown in Exhibit
VII-6.
                                  VII-63

-------
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D.   EMISSIONS

     The EMISSIONS file contains time-varying matrices of ground-level
emission fluxes.  At present, there is no general-purpose program for
creating the EMISSIONS file because its generation is so  highly dependent
on the form of  the emissions data available:  traffic, stationary sources,
area sources, airports, and so on.  There is a program structure, similar
to that of the  other data preparation programs, that includes the reading
of control packets, unit conversions, and writing the proper output
records.  This  program can be tailored to particular input requirements
as necessary.   The skeleton program is named EMISSN.  EMISSN requires
subroutines from the libraries UTILITY and FILUTIL,  Figure .VII-7 is an
information flow diagram illustrating the job control to' be used.  In
the following sections we discuss the card input to the EMISSN program.

1.   Variables

     The output variables for the EMISSIONS file are the species named
in the CONTROL  packet.  Additional user-defined input variables  (e.g.
"reactive hydrocarbons") can be specified in the UNITS packet.  The
internal units  for ground-level emissions of all species except AEROSOLS
are gram-moles  per hour (g-mol/hr); for AEROSOLS, the units are grams per
hour (g/hr).  The standard names for  reactive species recognized by  the
Airshed Simulation Program are listed  in Section  IX.A.   If any of these
species does  not appear on the EMISSIONS file, the  emissions values  default
to zero.  If  any additional species appear on EMISSIONS, they will be ignored.

2.   Methods

     The methods that can be used to generate the EMISSIONS file are:

     >  CONSTANT
     >  GRID  VALUE
     >  SPLIT/COMB
     >  USER.
                                  VII-69

-------
         Point
         Sources
         Line
         Sources
      /  Area
      I  Sources
	1
      / Gridded
      (  EnrissionsI
                                              Packet*
p
                                       REGION
                  CONTROL
          I
         i
         T
                                         (5)
                         EMISSN/
                           UTILITY
                           FILUTIL
                       (6)
                  Ground-
                  Level
                  Emissions
              I EMISSIONS
Figure VII-7.  Information Flow Diagram for the EMISSIONS File
                              VII-70

-------
The actual methods for generating output values from specific input data
files must be written for each new application.

3.   Time Variation

     The time span of the EMISSIONS file must include the entire time
span of the simulation runs for which it is to be used.  Ground-level
emissions are considered to be constant during each time interval.

4.   Packets

     The packets to be used for EMISSN will depend on the particular
version that is developed for a given set of input data files.  Informa-
tion on control parameters, units, time intervals, computation methods,
and data entry will have to be provided when the program has been imple-
mented.  Figure VII-8 shows a possible input structure in terms of the
packets to be used.

5.   Additional Input Files

     Point source, line source, area source, or gridded area emissions
might be input to EMISSN.
                                   VII-71

-------
 can be repeated
Figure VII-8.   A Possible Input Card Deck Structure for Preparing
                the EMISSIONS File
                              YII-72

-------
E.   METSCALARS

     The METSCALARS file contains  a  set of time-varying scalars to be
used in meteorological  calculations.   It has  no  spatial dependence.  The
program METSCL is used  to create the METSCALARS  file.  METSCL requires
subroutines from the libraries UTILITY and FILUTIL.   Figure  VII-9 is an
information flow diagram illustrating the job control to be  used.  In
the following sections  we discuss  the input to the METSCL program.

1.   Variables

     There are six output variables  for the METSCALARS file.  Their names
and internal units are:
     >  TGRADBELOW—temperature gradient below the  diffusion break
     >  T6RADABOVE--temperature gradient above  the  diffusion break
     >  EXPCLASS—exposure  class,  an  integer scale  (+3 to -2) of the
        near ground-level atmospheric stability due to surface heating
        or
ar ground-level  atmospheric  stability due to surface heatii
 cooling.   It can  be  estimated from insolation as follows:
     exposure
     C I a55
                                         daytime  insolation  ,
              strong
              moderate
              slight
              heavy overcast    day or night   ,
       -1
                        >£ cloud  cover
                 -2  ,   <-g cloud  cover
                                          nighttime cloudiness   .
                                                           ~
     >  RADFACTOR— the NCL  photolysis  rate  constant,  k,  (min~ )
     >  CONCWATER— average  concentration  of water  (ppm).
     >  ATMOSPRESS— atmospheric  pressure  (atm).
                                  VII-73

-------
                           METSCL/
                             UTILITY
                             FILUTIL
                          (6)7      \(24)
                  Meteoro-
                  logical
                  scalars
,
METSCALARSl
Figure VII-9.   Information Flow Diagram for the METSCALARS File
                            VII-74

-------
2.   Methods

     Since the METSCALARS variables do not vary spatially,  there is  no
need to define a method for determining spatial  distribution.   It is
assumed that the variables will  be explicitly entered in SCALARS packets
and that only simple unit conversions, which are defined in the UNITS
packet, need be performed.

3.   Time Variation

     Five of the METSCALARS variables, TGRADBELOW,  TGRADABOVE,  EXPCLASS,
CONCWATER, and ATMOSPRESS, are considered to be constant during each
time interval.  The sixth variable, RADFACTOR, however,  is  considered
to apply at the end of the time interval.  Because  the Airshed  Simulation
Program calculates radiation factor values continuously  over time by
linear interpolation, it also requires values at the beginning  of the
time interval.  These are saved by the program as the values read for
the end of the previous time interval.  Thus the first time interval
on the file must end at or before the beginning simulation  time.  For
example, if a simulation is to be made from 0500-1700, and  radiation
factor values are input hourly, the values used between  500 and 600
are calculated by interpolating between values input for the 0400-0500
time interval and those input for the 0500-0600 time interval.

4.   Packets

     Figure VII-10 shows the input deck structure in terms  of  the packets
to be used.  Each of these packets is described in  detail in Sections
VLB.  Following are special input packet considerations for the file:

     >  CONTROL
        -  The file name on Card 2 must be METSCALARS.
        -  The control variables to be specified on Cards 4 to 8
           for METSCALARS are shown in Table VII-4.
                              VII-75

-------
can be repeated
                                        must  appear in  the
                                        first time interval
  Figure VII-10.    Input Card Deck Structure for
                   Preparing the METSCALARS File
                  VII-76

-------
Table VII-4.  CONTROL Packet Entries  for the METSCALARS  File

          Card
         Number          	Entry	
           4             Number of species  (=0)
                         Spare
                         Spare
                         Spare
                         Spare
                         Spare
           5             Output file  number
                         Print input  cards
                         Print output values
                         Spare
                         Spare
                         Spare
           6             Print units  table
                         Spare
                         Spare
                         Spare
                         Spare
                         Spare
           7             Spare
                         Spare
                         Spare
                         Spare
                         Spare
                         Spare
           8             Spare
                         Spare
                         Spare
                         Spare
                         Spare
                         Spare

                       VII-77

-------
        -  The number of species  should  be  zero.
        -  The vertical  controls  card  (No.  7)  should  be  left  blank.
        -  The file unit assignment card (No.  8)  should  be  left  blank.
        -  The beginning and ending dates and  times should  reflect
           the time variation considerations discussed in Section 3
           above.
        -  A set of output species  names is not  required; if  they
           are present,  their number must be the  same as the  entry
           in the first  control parameter on Card 4,  but they will
           be ignored by the program.
     >  REGION.  This packet must follow the CONTROL  packet.  The
        vertical parameters will  be ignored for  the METSCALARS file.
     >  UNITS.  This packet, if present, must  follow  the REGION
        packet.  The UNITS packet must be provided if any input
        variable will be input in other  than internal units.  The
        units of RADFACTOR must be  min~   and cannot be changed.
     >  TIME INTERVAL.  Two or more TIME INTERVAL packets must
        be present.  The first time interval must end at or before
        the beginning time of any simulation run. All time inter-
        vals must be contiguous and of nonzero length.   Each  TIME
        INTERVAL packet  contains  a  SCALARS  packet and ends  with  an
        ENDTIME card.  Following  the first  time  interval, only those
        data that are to be changed need be specified.
     >  SCALARS.  The first time  interval must contain a SCALARS
        packet.  Following the first time interval, the  SCALARS
        packet can be omitted if  no values  are to be  changed.

5.   Additional Input Files

     No additional input files are  required.

6.   Examples

     Exhibit VII-7 shows a sample input  deck for METSCALARS file genera-
tion.  The output from a METSCL  run using that input  deck  is  shown  in
Exhibit VII-8.

                              VII-78

-------
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                                           VII-81

-------
F.   PTSOURCE

     The PTSOURCE file contains  a set of time-invariant locations of
elevated point sources and time-varying  emissions  fluxes from each source
into specific vertical cells.  The file  can  be  omitted from a simulation
run.  The program PTSRCE is used to create the  PTSOURCE file.   PTSRCE
requires subroutines from the  libraries  UTILITY and  FILUTIL.  Figure VII-11
is an information flow diagram illustrating  the job  control to  be used.
In the following sections we discuss the input  to  the PTSRCE program.

1.   Variables

     The output variables for  the PTSOURCE file are  the species named  in
the CONTROL packet.   Additional  user-defined input variables (e.g.,
"reactive hydrocarbons") can be  specified in the UNITS packet.   The
internal units for the emissions of all  species except AEROSOLS are
gram-moles per hour (g-mol/hr);  for AEROSOLS, the  units are grams per  hour
(g/hr).  The standard names for reactive species recognized by  the Airshed
Simulation Program are listed  in Section IX.A.   If any of  these species
does not appear on the PTSOURCE  file, the emissions  will default to zero.
If any additional species appear on PTSOURCE, they will be ignored.

     There are five other implicit variables used  in the PTSRCE program:

     >  HEIGHT—stack height
     >  DIAMETER—stack exit diameter
     >  STACKTEMP—stack exit  temperature
     >  STACKVEL-stack exit velocity
     >  FLOWRATE—flow rate.

The internal units for these variables are shown in  Table  VI-5; input  unit
conversions for any of these variables can be specified in the  UNITS
packet without adding to the count of "user-defined  variables."  Values
                                VII-82

-------
 iDIFFBREAK \	
 REGIONTOP
             (12)
           (04)
iTEMPERATUR \	
       	V
(METSCALARS P—
IWIND
             06)	,
                                       Packet^
                                 EGION
 CONTROL
                                  (5)
                   PTSRCE/
                     UTILITY
                     FILUTIL
                  (6)
  (25)

             Point
             Source
             Emissions
PTSOURCE
Figure VII-11.   Information Flow Diagram for the
                 PTSOURCE File
                     VII-83

-------
for the first four variables are entered in the POINT SOURCES packet and
are considered time-invariant.  FLOWRATE values, if specified, appear in
the EMISSIONS VALUES packet and are modified, along with species emissions,
by the emissions factors.

2.   Methods

     The methods that can be used to generate the PTSOURCE file are:

     >  EMVALUES
     >  EMFACTORS
     >  SPLIT/COMB
     >  USER.

These methods are discussed in detail in Section VI.A.6.

    Since the PTSOURCE file varies in the vertical direction, a vertical
method must also be specified for each output variable in each subregion.
The vertical methods that can be used are:

     >  STACKHGT
     >  PLUMERISE
     >  VERTUSER.

These vertical methods are discussed in detail  in Section VI.A.7.

3.   Time Variation

     The time span of the PTSOURCE file must include  the entire time
span of the simulation runs for which it is to  be used.  Point source
emissions are considered to be constant during  each time interval.
                               VII-84

-------
4.   Packets

     Figure VII-12 shows the input deck  structure  in  terms of the packets
to be used.  Each of these packets is  described  in detail in Section
VLB.  Following are special input packet considerations for the PTSOURCE
file:

     >  CONTROL
        -  The file name on Card 2 must  be PTSOURCE.
        -  The control  variables to be specified on Cards 4 to 8
           for PTSOURCE are shown in Table VII-5.
        -  The number ofspecies must be  greater  than  zero.
        -  If there are input variables  that do  not appear as out-
           put variables, their number must appear as the number of
           user-defined variables.  All  such variables must also be
           named in the UNITS packet.
        -  The number of point sources defined in  the POINT SOURCES
           packet must be specified.
        -  The number of point source  types must be at least one.
        -  The-maximum number of parameters must be sufficient to
           include all  specifications  of all parameters.
        -  The vertical controls card  (No. 7) must specify the
           maximum number of vertical  parameters as applicable.
        -  The file unit assignment card (No. 8) must specify the
           DIFFBREAK and REGIONTOP files.  In addition,  it must
           specify TEMPERATUR, METSCALARS, and WIND if the verti-
           cal method PLUMERISE is selected.
        -  The beginning and ending dates and times should reflect
           the time variation considerations discussed in Section 3
           above.
        -  A set of output species names is required; their  number
           must be the same as the entry in the  first control param-
           eter on Card 4.
     >  REGION.  This packet must follow the CONTROL  packet.  The
        vertical parameters must be provided for the  PTSOURCE file.
                                VII-85.

-------
        can be repeated
                                  HUSSIONS FACTORS
                                                 must appear in the
                                                 first time interval
Figure VII-12.    Input  Card Deck Structure for Preparing the
                 PTSOURCE  File
                      VII-86

-------
 Table VII-5.  CONTROL Packet Entries for the PTSOURCE File
 Card
Number
                    Entry
  8
Number of species
Number of user-defined variables
Number of point sources
Number of point source types
Number of parameters
Spare
Output file number
Print input cards
Print output grid
Spare
Spare
Spare
Print units table
Print point source locations table
Print regional  point source distribution grid
Print methods table
Print point source values table
Spare
Number of vertical parameters
Spare
Print vertical  methods table
               •
Spare
Spare
Spare
DIFFBREAK file  number
REGIONTOP file  number
Spare
TEMPERATUR file number
METSCALARS file number
WIND file number
                           VII-87

-------
UNITS.  This packet, if present, must follow the REGION
packet.  The UNITS packet must be provided if:
-  Any input variable will be input in other than internal
   units.
-  Any user-defined variables are specified.
-  COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
POINT SOURCES.  This packet is required.  It names the
point sources, assigns to each a type and location,  and
describes certain time-invariant stack properties.  The
number of point sources specified must equal the number
specified in the CONTROL packet.  Each point source  must be
given a type name.  Point sources are grouped by type at the
time that methods and vertical methods are assigned, and
emission factors can be applied by point source type,,  The
number of different types specified must not exceed  the
maximum defined in the CONTROL packet.
TIME INTERVAL.  One or more TIME INTERVAL packets must be   -
present.  The first time interval must begin at or before
the beginning of the time span specified on Card 10  of the
CONTROL packet.  All time intervals must be contiguous and
of nonzero length.  Each TIME INTERVAL packet contains one
or more of the following packets and ends with an ENDTIME
card.  Following the first time interval, only those data
that are to be changed need be specified.
METHOD.  A method must be provided for every variable-
including user-defined variables--for every point source
type in the first time interval.  Methods can be changed in
subsequent TIME INTERVAL packets if desired.  Note that each
parameter entry contributes to the overall parameter count;
the total number of parameters must not exceed the maximum
specified in the CONTROL packet.
                       V JI-88

-------
     >  VERTICAL METHOD.  A vertical method must be provided for every
        variable—including user-defined variables—for every point
        source type in the first time interval.  Vertical methods
        can be changed in subsequent TIME INTERVAL packets if
        desired.  Note that each vertical parameter entry contributes
        to the overall vertical parameter count; the total must not
        exceed the maximum specified in the CONTROL packet.
     >  EMISSIONS VALUES.  The first time interval must contain an
        EMISSIONS VALUES packet.  More than one EMISSIONS VALUES
        packet can appear in any time interval.
     >  EMISSIONS FACTORS.  If the method EMFACTORS is selected in
        a subsequent time interval, the EMISSIONS FACTORS packet
        must appear.  This packet can be used to multiply all emis-
        sions from a given point source or type by a time-varying
        factor.  More than one EMISSIONS FACTORS packet can appear
        in any time interval.

5.   Additional Input Files

     The DIFFBREAK and REGIONTOP files must be input to PTSRCE.   In
addition,  if the vertical method PLUMERISE was selected,  the TEMPERATUR,
METSCALARS,  and WIND files must also be input.

6.   Examples

     Exhibit VI1-9 shows a sample input deck for PTSOURCE file generation.
The output from a PTSRCE run using that input deck is shown in Exhibit
VII-10.
                            VII-89

-------
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-------
G.   REGIONTOP

     The REGIONTOP file contains time-varying two-dimensional matrices
of region top heights.  The region top height can be linked to the dif-
fusion break or can be independently specified.   The program REGNTP is
used to create the REGIONTOP file.  REGNTP requires subroutines from
the libraries UTILITY and FILUTIL.  Figure VII-13 is an information
flow diagram illustrating the job control to be used.  In the following
sections we discuss the input to the REGNTP program.

1.   Vari ables

     The output variable for the REGIONTOP file is also named REGIONTOP.
This is an "implicit output variable" and need not be referred to any-
where in the CONTROL packet.  The internal units for REGIONTOP are meters (m)
If the input values for this variable are to be in any other units,
REGIONTOP must be specified in the UNITS packet.

2.   Methods

     The methods that can be used to generate the REGIONTOP file are:

     >  CONSTANT
     >  6RID VALUE
     >  STATINTERP
     >  POISSON
     >  FIXDHEIGHT
     >  SAMEHEIGHT
     >  E-WINTERP
     >  N-SINTERP
     >  USER.

These methods are discussed in detail in Section VI.A.6.
                             VII-180

-------
                                        'Other
                                        REGION
                   i_  01)
          DIFFBREAK	:
                              I
  /CONTROL

                              I
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                            UTILITY
                            FILUTIL
                         (6),
                   Top of
                   Region
(REGIONTOP
Figure VII-13.   Information Flow Diagram for the REGIONTOP File
                           VII-101

-------
3.   Time Variation

     The top of the region values  on the REGIONTOP  file  are considered
to apply at the beginning of the time interval.   Because the Airshed
Simulation Program calculates region top values  continuously over  time
by linear interpolation,  it also requires values at the  end of  the time
interval.  These are read by the program as  the  values at the beginning
of the next time interval.  Thus,  the last time  interval  on the file
must begin at or after the ending  simulation time.   For  example, if a
simulation is to be made  from 0500-1700 and  region  top values are  input
hourly, the values used between 500 and 600  are  calculated by interpolat-
ing between values input  for the 0500-0600 time  interval  and those input
for the 0600-0700 time interval.  Similarly, to  calculate values between
1600 and 1700, the simulation program requires values for the interval
1600-1700, and another set for an  interval beginning at  1700.

4.   Packets

     Figure VI1-14 shows  the input deck structure in terms of the  packets
to be used.  Each of these packets is described  in  detail  in Sections VLB.
Following are special input packet considerations for the REGIONTOP file:

     >   CONTROL
         -  The file  name  on Card 2 must be REGIONTOP.
         -  The control variables to be specified on Cards 4 to  8
           for REGIONTOP  are shown in Table VI1-6.
                                                                         /
         -  The number of  species should be zero.
         -  If there  are input variables that do not appear as out-
           put variables, their number must appear as the number of
           user-defined variables.  All such variables  must also be
           named  in  the UNITS packet.
         -  If data from measuring stations are to be used (methods
           STATINTERP or  POISSON), the maximum number of such
           stations  must  be given.
         -  The number of  subregions must  be at least one.
                                VII-102

-------
                                              r
                                      END TIME
                                           STATION READINGS
                                      'GRID VALUES
             can  be  repeated
                                 (CONSTANTS
                             METHOD
                       fsUBREGION
                    TIME INTERVAL
              STATIONS
        I
UNITS
     REGION
CONTROL
                                                 must appear in the
                                                first time interval
   Figure VI1-14.    Input  Card  Deck Structure for Preparing
                    the REGIONTOP  File
                        VII-103

-------
Table VII-6.   CONTROL Packet Entries  for the  REGIONTOP  File

     Card
    Number          	Entry	
       4            Number of species (=0)
                    Number of user-defined  variables
                    Number of stations
                    Number of subregions
                    Number of parameters
                    Spare
       5            Output file number
                    Print input cards
                    Print output grid
                    Spare
                    Spare
                    Spare
       6            Print units table
                    Print station locations table
                    Print regional grid
                    Print methods table
                    Print station values table
                    Spare
       7            Spare
                    Spare
                    Spare
                    Spare
                    Spare
                    Spare
       8            DIFFBREAK file unit  number
                    Spare
                    Spare
                    Spare
                    Spare
                    Spare
                       VII-104

-------
-  The maximum number of parameters must be sufficient to
   include all specifications of all parameters.
-  The vertical controls card (No. 7) should be l.eft blank.
-  The file unit assignment card (No. 8) must specify
   OUTBREAK if the method FIXDHEIGHT or SAMEHEIGHT is
   selected.  Otherwise, it should be left blank.
-  The beginning and ending dates and times should reflect
   the time variation considerations discussed in  Section 3
   above.
-  A set of output species names is not required;  if they
   are present, their number must be the same as the entry
   in the first control parameter on Card 4, but they will
   be ignored by the program.
REGION.  This packet must follow the CONTROL packet.  The
vertical parameters must be provided if FIXDHEIGHT or
SAMEHEIGHT is selected.  Otherwise, they will be ignored.
UNITS.  This packet, if present, must follow the REGION
packet.  The UNITS packet must be provided if:
-  Any input variable will be input in other than  internal
   units.
-  Any user-defined variables are specified.
-  COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS.  This packet is required if either of the methods
STATINTERP or POISSON is specified.  The number of stations
listed must not exceed the maximum specified in the CONTROL
packet.
TIME INTERVAL.  Two or more TIME INTERVAL packets  must be
present.  The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet.  The last time interval must begin at or
after the ending time of any simulation run.  All  time inter-
vals must be contiguous and of nonzero length.  Each TIME
INTERVAL packet contains one or more of the following


                       VII-105

-------
        packets and ends with an ENDTIME card.   Following the first
        time interval, only those data that are to be changed need
        be specified.*
     >  SUBREGION.  The first time interval must contain a SUBREGION
        packet; the inclusion of this packet in other time intervals
        is optional.  The number of subregions  must not exceed the
        maximum specified in the CONTROL packet.
     >  METHOD.  A method must be provided for  every variable--
        including user-defined variables—in every subregion in the
        first time interval.  Methods can be changed in subsequent
        TIME INTERVAL packets if desired.  Note that each parameter
        entry contributes to the overall parameter count; the total
        number of parameters must not exceed the maximum specified
        in the CONTROL packet.
     >  CONSTANTS.  If the method CONSTANT is assigned to any variable
        in the METHOD packet, the first time interval must contain a
        CONSTANTS packet.  More than one CONSTANTS packet can appear
        in any time interval.
     >  GRID VALUES.  If the method GRID VALUE  is assigned to any
        variable in the METHOD packet,  the first time interval  must
        contain a GRID VALUES packet.   More than one GRID VALUES
        packet can appear in any time interval.
     >  STATION READINGS.  If either the POISSON or STATINTERP method
        is assigned to any variable in the METHOD packet,  the first
        time interval  must contain a STATION READINGS packet.   More
        than one STATION READINGS packet can appear in any time
        interval.

5.   Additional Input Files

     If the method FIXDHEIGHT or SAMEHEIGHT was  selected,  the DIFFBREAK
file must be input to REGNTP.  Otherwise no additional input files are
required.
* If FIXDHEIGHT or SAMEHEIGHT is used, the time intervals specified here
  must be exactly the same as those on the DIFFBREAK file; after the first
  time interval, subsequent packets may contain no other packets.

                                vn-ioe

-------
6.   Examples

     Exhibit VII-11 shows a sample input deck for REGIONTOP file genera-
tion.  The output from a REGNTP run using that input deck is shown in
Exhibit VII-12.
                               VII-107

-------
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                                                        VII-112

-------
H.   ROADWAY (Not  recommended  for use at this time)

     The ROADWAY file contains time-varying matrices of emission  fluxes
along roadways and a descriptive parameter for  automobile traffic.   The
ROADWAY file can be omitted from a  simulation run if surface layer  micro-
scale calculations are not to be performed.  At present, there is no
general purpose program for creating the ROADWAY file because its genera-
tion is highly dependent on the form of the traffic data available.
There is a program structure, similar to that of the other data prepara-
tion programs, that includes the reading of control packets, unit con-
versions, and writing the proper output records.  This program can  be
tailored to particular input requirements as necessary.  The skeleton
program is named  RCADWY.  It requires  subroutines from the libraries
UTILITY and FILUTIL.  Figure VII-15 is  an information flow diagran
illustrating the job control to be  used.  In the following sections we
discuss the card input to the ROADWY program.

1.   Variables

     The output variables for the ROADWAY file are the species named in
the CONTROL packet and the parameter CARM, which is to be calculated
from the traffic data.  Additional  user-defined input variables (e.g.
"reactive hydrocarbons") can be specified in the UNITS packet.  The
internal units for the roadway emissions of all species except AEROSOLS
are gram-moles per hour (g-mol/hr); for AEROSOLS, the units are grams per
hour (g/hr).  The internal units for CARM are meters per hour (m/hr).  The
standard names for reactive species recognized by the Airshed Simulation
Program are listed in Chapter IX.  If any of these species does not appear
on the ROADWAY file, the roadway emissions will default to zero.  If any
additional species appear on ROADWAY, they will be ignored.

2.   Methods

     The methods that can be used to generate the ROADWAY file are:
                                VII-113

-------
Link-Node I
Data
   I
   I
   I
   I
   I
                               Other Packets
                              REGION
                            CONTROL
                                (5)
                  ROADWY/
                    UTILITY
                    FILUTIL
                (6),
         Roadway
         Emissions
          ROADWAY
Figure VII-15.
Information Flow Diagram for the
ROADWAY File
                  VII-114

-------
     >  CONSTANT
     >  ROADVALUE
     >  SPLIT/CO^
     >  USER.

The methods ROADVALUE and USER have not been defined.   The actual  methods
for generating output values from input traffic data must be written
for each new application.

3.   Time Variation

     The time span of the ROADWAY file must include the entire time
span of the simulation runs for which it is to be used.  Roadway emis-
sions and the parameter CARM are considered to be constant during each
time interval.

4.   Packets

     The packets to be used for ROADWY will depend on the particular
version that is developed for a given set of traffic data.  Information
on control parameters, definition of link-node data, units, time inter-
vals, computation methods, and data entry will have to be provided when
the program has been implemented.  Figure VI1-16 shows a possible input
structure in terms of the packets to be used.

5.   Additional Input Files

     In general, a traffic data file in link-node form must be provided.
                             VII-115

-------
          can be repeated  ^A
/REGION
/. 	 ,
'CONTROL
>



Figure VII-16.    A Possible Input Card Deck Structure  for
                 Preparing the ROADWAY File
                       VII-116

-------
I.   TEMPERATUR

     The TEMPERATUR file contains time-varying matrices of temperatures
at ground level.  If it is omitted from a simulation run, temperature-
dependent calculations will not be performed (see Section IX.B).   The
program TMPRTR is used to create the TEMPERATUR file.   TMPRTR  requires
subroutines from the libraries UTILITY and FILUTIL.   Figure VII-17 is an
information flow diagram illustrating the job control  to be used.   In
the following sections we discuss the input to the TMPRTR program.

1.   Variables

     The output variable for the TEMPERATUR file is also named TEMPERATUR.
This is an "implicit output variable" and need not be referred to  anywhere
in the CONTROL packet.  The internal units for TEMPERATUR are  °K.   If
the input values for this variable are to be in any other units,
TEMPERATUR must be specified in the UNITS packet..

2.   Methods

     The methods that can be used to generate the TEMPERATUR file  are:

     >  CONSTANT
     >  GRID VALUE
     >  STATINTERP
     >  POISSON
     >  E-WINTERP
     >  N-SINTERP
     >  USER.

These methods are discussed in detail in Section VI.A.6.
                               VII-117

-------
                          rco
                             Bother Packe^
                              REGION
    CONTROL
1
                                (5)
                  TMPRTR/
                    UTILITY
                    FILUTIL
               (6)
    ,(28)
          Temper-
          ature
I TEMPERATURl
Figure VII-17.    Infonnation  Flow Diagram for
                 the TEMPERATUR File
                VII-118

-------
3.   Time Variation

     The time span of the TEMPERATUR file must  include the entire time
span of the simulation runs for which it is  to  be  used.  Ground-level
temperatures are considered to be constant during  each time interval.

4.   Packets

     Figure VII-18 shows the input deck structure  in  terms of the packets
to be used.  Each of these packets is described in detail in Section
VLB.  Following are special input packet considerations for the
TEMPERATUR file:

     >  CONTROL
        -  The file name on Card 2 must be TEMPERATUR.
        -  The control variables to be specified on Cards 4 to 8
           for TEMPERATUR are shown in Table VI1-7.
        -  The number of species should be  zero.
        -  If there are input variables that do not appear as out-
           put variables, their number must appear as the number
           of user-defined variables.  All  such variables must also
           be named in the UNITS packet.
        -  If data from measuring stations  are  to  be  used (methods
           STATINTERP or POISSON), the maximum  number of such stations
           must be given.
        -  The number of subregions must be  at  least  one.
        -  The maximum number of parameters  must be sufficient to
           include all specifications of all parameters.
        -  The vertical controls card (No.  7) should  be  left blank.
        -  The file unit assignment card (No. 8) should  be left blank.
        -  The beginning and ending dates and times should reflect
           the time variation considerations discussed in Section 3
           above.
                                VII-119

-------
          can be repeated
                                         STATION READINGS
                                               must appear in the
                                              first time interval
Figure VII-18.    Input Card  Deck Structure for Preparing
                 the TEMPERATUR File
                       VII-120

-------
Table VII-7.  CONTROL Packet Entries for the TEMPERATUR File

       Card
      Number         	Entry	
        4            Number of species (=0)
                     Number of user-defined  variables
                     Number of stations
                     Number of subregions
                     Number of parameters
                     Spare
        5            Output file number
                     Print input cards
                     Print output grid
                     Spare
                     Spare
                     Spare
        6            Print units table
                     Print station locations table
                     Print regional grid
                     Print methods table
                     Print station values table
                     Spare
        7            Spare
                     Spare
                     Spare
                     Spare
                     Spare
                     Spare
        8            Spare
                     Spare
                     Spare
                     Spare
                     Spare
                     Spare


                   VII-121

-------
-  A set of output species names is  not required;  if they
   are present, their number must be the same as  the entry
   in the first control  parameter on Card 4,  but  they will
   be ignored by the program.
REGION.  This packet must follow the CONTROL  packet.   The
vertical parameters will  be ignored  for the TEMPERATUR file.
UNITS.  This packet, if present, must follow  the  REGION
packet.  The UNITS packet must be provided if:
-  Any input variable will be input  in other  than  internal
   units.
-  Any user-defined variables are specified.
-  COORD or HEIGHT unit conversions  are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS.  This packet is required if either  of the  methods
STATINTERP or POISSON is  specified.   The number of stations
listed must not exceed the maximum specified  in the  CONTROL
packet.
TIME  INTERVAL.  One or more TIME INTERVAL packets must
be present.  The first time interval must begin at or
before the beginning of the time span specified on Card 10
of the CONTROL packet.  All time intervals must be con-
tiguous and of nonzero length.  Each TIME INTERVAL packet
contains one or more of the following packets and ends with
an ENDTIME card.  Following the first time interval, only
those data that are to be changed need be specified.
SUBREGION.  The first time interval  must contain a SUBREGION
packet; the inclusion of this packet in other time intervals
is optional.  The number of subregions must not exceed the
maximum specified in the CONTROL packet.
METHOD.  A method must be provided for every variable--
including user-defined variables—in every subregion in the
first time interval.  Methods can be changed in subsequent
TIME  INTERVAL packets if desired.  Note that each parameter
                            VII-122

-------
        entry contributes to the overall  parameter count;  the total
        number of parameters must not exceed the maximum specified
        in the CONTROL packet.
     >  CONSTANTS.   If the method CONSTANT is assigned to any variable
        in the METHOD packet, the first time interval  must contain a
        CONSTANTS packet.  More than one CONSTANTS packet can appear
        in any time interval.
     >  GRID VALUES.  If the method GRID VALUE is assigned to any
        variable in the METHOD packet, the first time  interval  must
        contain a GRID VALUES packet.  More than one GRID VALUES
        packet can appear in any time interval.
     >  STATION READINGS.  If either the POISSON or STATINTERP method
        is assigned to any variable in the METHOD packet, the first
        time interval must contain a STATION READINGS  packet.  More
        than one STATION READINGS packet can appear in any time
        interval.

5.   Additional Input Files

     No additional input files are required.

6.   Examples

     Exhibit VII-13 shows a sample input deck for TEMPERATUR file genera-
tion.  The output from a TMPRTR run using that input deck is shown in
Exhibit VII-14.
                                    VII-123

-------
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-------
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                                             VII-130

-------
J.   TERRAIN

     The TERRAIN file contains time-invariant matrices of surface rough-
ness and vegetation factors that are used by the Airshed Simulation
Program to calculate vertical diffusivity and surface deposition.  If
the TERRAIN file is omitted from a simulation run, single values for
surface roughness and vegetation factors will be used (see Section IX.B).
The program TERAIN is used to create the TERRAIN file.  TERAIN requires
subroutines from the libraries UTILITY and FILUTIL.  Figure VII-19 is an
information flow diagram illustrating the job control to be used.  In
the following sections we discuss the input to the TERAIN program.

1.   Variables

     The TERAIN program has two implicit output variables:  ROUGHNESS
and VEGFACTOR.  The internal units for ROUGHNESS are meters (m); VEGFACTOR
is the fraction of surface uptake capability compared to that of alfalfa.
If the input values for ROUGHNESS are to be in any other units, that
variable must be specified in the UNITS packet.  VEGFACTOR is unitless;
therefore, its units cannot be changed.

2.   Methods

     The methods that can be used to generate the TERRAIN file are:

     >  CONSTANT
     >  GRID VALUE
     >  STATINTERP
     >  POISSON
     >  E-WINTERP
     >  N-SINTERP
     >  USER.

These methods are discussed in detail in Section VI.A.6.
                              VII-131

-------
                                     Packets
                              REGION
                             CONTROL
                                 (5)
                TERAIN/
                  UTILITY
                  FILUTIL
                             ,(29)
         Surface
         Roughness
         and
         Vegetation
TERRAIN
                 j
Figure VII-19.   Information Flow Diagram for the
                 TERRAIN File
                  VII-132

-------
3.   Time Variation

     The TERRAIN file contains values for surface characteristics  that
are considered to be invariant over time.

4.   Packets

     Figure VII-20 shows the input deck structure in terms  of the  packets
to be used.  Each of these packets is described in detail  in Section  VLB.
Following are special input packet considerations for the TERRAIN  file:

     >  CONTROL
        -  The file name on Card 2 must be TERRAIN.
        -  The control variables to be specified on Cards 4 to 8
           for TERRAIN are shown in Table VII-8.
        -  The number of species should be zero.
        -  If there are input variables that do not appear  as out-
           put variables, their number must appear as the number
           of user-defined variables.  All such variables must also
           be named in the UNITS packet.
        -  If data from measuring stations are to be used  (methods
           STATINTERP or POISSON), the maximum number of such
           stations must be given.
        -  The number of subregions must be at least one.
        -  The maximum number of parameters must be sufficient
           to include all specifications of all parameters.
        -  The vertical controls card (No. 7) should be left blank.
        -  The file unit assignment card  (No. 8) should be left blank.
        -  The beginning and ending dates and times can be any valid
           numbers.  They are ignored by the Airshed Simulation
           Program.
        -  A set of output species names  is not required;  if they
           are present, their number must be the same as the entry
           in the first control parameter on Card 4, but they will
           be ignored by the program.
                               VII-133

-------
                                            f
                              END TERRAIN

                                      1
                         STATION READINGS
                                    GRID VALUES
                             L
                CONSTANTS
                        1
          METHOD
                   1
      SUBREGION
              I
STATIONS
            UNITS
     /REGION
/CONTROL
     Figure VII-20.   Input Card Deck Structure for Preparing
                      the TERRAIN File
                         VII-134

-------
Table VI1-8.  CONTROL Packet Entries for the TERRAIN  File

    Card
   Number          	Entry	
      4            Number of species (=0)
                   Number of user-defined  variables
                   Number of stations
                   Number of subregions
                   Number of parameters
                   Spare
      5            Output file number
                   Print input cards
                   Print output grid
                   Spare
                   Spare
                   Spare
      6            Print units table
                   Print station locations table
                   Print regional  grid
                   Print methods table
                   Print station values table
                   Spare
      7            Spare
                   Spare
                   Spare
                   Spare
                   Spare
                   Spare
      8            Spare
                   Spare
                   Spare
                   Spare
                   Spare
                   Spare
                     VII-135

-------
REGION.  This packet must follow the CONTROL packet.   The
vertical parameters will be ignored for the TERRAIN file.
UNITS.  This packet, if present, must follow the REGION
packet.  The UNITS packet must be provided if:
-  Any input variable will be input in other than internal
   units.
-  Any user-defined variables are specified.
-  COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables must not exceed the
maximum specified in the CONTROL packet.
STATIONS.  This packet is required if either method
STATINTERP or POISSON is specified.  The number of
stations listed must not excead the maximum specified in
the CONTROL packet.
SUBREGION.  A SUBREGION packet is required.  The number of
subregions must not exceed the maximum specified in the
CONTROL packet.
METHOD.  A method must be provided for every variable—
including user-defined variables—in every subregion,  Mote
that each parameter entry contributes to the overall  param-
eter count; the total number of parameters must not exceed
the maximum specified in the CONTROL packet.
CONSTANTS.  If the method CONSTANT is assigned  to any variable
in the METHOD packet, there must be one or more CONSTANTS
packets.
GRID VALUES.  If the method GRID VALUE is assigned to any
variable in the teTHOD packet, there must be one or more
GRID VALUES packets.
STATION READINGS.  If either the POISSON or STATINTERP method
is assigned to any variable in the METHOD packet, there must
be one or more STATION READINGS packets.
END TERRAIN.  This card must appear to indicate that no more
packets are to be read.
                       VII-136

-------
5.   Additional Input Files

     No additional input files are required.

6.   Examples

     Exhibit VII-15 shows a sample input deck for TERRAIN file generation.
The output from a TER/VIN run using that input deck is shown in Exhibit
VII-16.
                             VII-137

-------
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-------
K.   TOPCONC

     The TOPCONC file contains time-varying matrices of pollutant con-
centrations at the top of.the region.  The program TPCONC is used to
create the TOPCONC file.  TPCONC requires subroutines from the libraries
UTILITY and FILUTIL.  Figure VII-21 is an information flow diagram
illustrating the job control to be used.  The following sections discuss
the input to the TPCONC program.

1.   Variables

     The output variables for the TOPCONC file are the species named
in the CONTROL packet.  Additional user-defined input variables (e.g.
"reactive hydrocarbons") can be specified in the UNITS packet.  THe
internal units for the concentrations of all species except AEROSOLS
are parts per million (ppm); for AEROSOLS, the units are micrograms per
cubic meter (pg/m ).  The standard names for reactive species recognized
by the Airshed Simulation Program are listed in Section IX.A.  If any of
these species does not appear on the TOPCONC file, the top concentrations
will default to a value defined in the  CHEMPARAM file.  If any additional
species appear on TOPCONC, they will be ignored.

2.   Methods

     The methods that can be used to generate the TOPCONC file are:

     >  CONSTANT
     >  GRID VALUE
     >  STATINTERP
     >  POISSON
     >  SPLIT/COMB
     >  ABSTOPCONC
     >  RELTOPCONC
                                  VII-143

-------
         Mil)
DIFFBREAK	
         V
REGIONTOPh--	
 	V
    Other Packet
                              REGION
                            CONTROL
                                (5)
                    TPCONC
               (6)
  (31)
         Concentra-
         tions at
         Top of
         Region,,
TOPCONC
Figure VII-21.    Information Flow Diagram for
                 the TOPCONC File
                     VII-144

-------
     >  E-WINTERP
     >  N-SINTERP
     >  USER.

These methods are discussed in detail  in Section VI.A.6.

3.   Time Variation

     The time span of the TOPCONC file must include  the entire  time  span
of the simulation runs for which it is to be used.   Concentrations at
the top of the region are considered to be constant  during  each time
interval.

4.   Packets

     Figure VI1-22 shows the input deck structure in terms  of the packets
to be used.  Each of these packets is described in detail  in Section
VLB.  Following are special input packet considerations for the TOPCONC
file.

     >  CONTROL
        -  The file name on Card 2 must be TOPCONC.
        -  The control variables to be specified on Cards  4 to  8
           for TOPCONC are shown in Table VII-9.
        -  The number of species must be greater than zero.
        -  If there are input variables that do not appear  as out-
           put variables, their number must appear as the number
           of user-defined variables.   All such variables  must also
           be named in the UNITS packet.
        -  If data from measuring stations are to be used  (methods
           STATINTERP or POISSON), the maximum number of such
           stations must be given.
        -  The number of subregions must be at least one.
        -  The maximum number of parameters must be sufficient to
           include all specification of all parameters.

                                 VII-145

-------
                can be repeated
                                                  VERTICAL. PROFILES
                                            STATION READINGS
          UNITS
v / TIME INTERVAL
r A
STATIONS


                                                  must appear  in  the
                                                 first time  interval
     REGION
CONTROL
   Figure VII-22.   Input Card Deck Structure for Preparing the
                    TOPCONC File
                         VII-146

-------
Table VI1-9.  CONTROL Packet Entries for the TOPCONC  File
                                                                               i
      Card
     Number          	Entry	
        4            Number of species
                     Number of user-defined variables
                     Number of stations
                     Number of subregions
                     Number of parameters
                     Spare
        5            Output file number
                     Print input cards
                     Print output grid
                     Spare
                     Spare
                     Spare
        6            Print units table
                     Print station locations table
                     Print regional grid
                     Print methods table
                     Print station values table
                     Spare
        7            Spare
                     Number of heights in profile
                     Spare
                     Print vertical profile tables
                     Spare
                     Spare
        8            DIFFBREAK file number
                     REGIONTOP file number
                     Spare
                     Spare
                     Spare
                     Spare
                          VII-147

-------
-  The vertical controls card (No.  7)  must contain  the
   maximum number of profile heights  if ABSTOPCONC  or
   RELTOPCONC is used.   Otherwise,  this card should-be  blank.
-  The file unit assignment card (No.  8) must provide an
   entry for REGIONTOP  if the method  ABSTOPCONC  or
   RELTOPCONC is selected.   It must also provide an entry
   for DIFFBREAK if RELTOPCONC is selected.
-  The beginning and ending dates and times  should  reflect
   the time variation considerations  discussed in Section 3
   above.
-  A set of output species  names is required;  their number
   must be the same as  the entry in the first control param-
   eter on Card 4.
REGION.  This packet must follow the  CONTROL packet.  The
vertical parameters will be ignored for the TOPCONC file.
UNITS.  This packet, if present, must follow the REGION
packet.  The UNITS packet must be provided if:
-  Any input variable will  be input, in other than internal
   units.
-  Any user-defined variables are specified.
-  COORD or HEIGHT unit conversions are to be used.
The number of user-defined variables  must not exceed the
maximum specified in the CONTROL packet.
STATIONS.  This packet is required  if the method STATINTERP
or POISSON is specified.  The number  of stations listed must
                            •
not exceed the maximum specified in the CONTROL packet.
TIME INTERVAL.  One or more TIME INTERVAL packets must be
present.  The first time interval must begin at or before
the beginning of the time span specified on Card 10 of the
CONTROL packet.  All time intervals must be contiguous and
of nonzero length.  Each TIME INTERVAL packet contains
one or more of the following packets and ends with an
ENDTIME card.  Following the first time interval, only
those data that are to be changed need be specified.
                        VII-148

-------
SUBREGION.  The first time interval  must contain a
SUBREGION packet; the inclusion of this packet in other
time intervals is optional.   The number of subregions  must
not exceed the maximum specified in the CONTROL packet.
METHOD.  A method must be provided for every variable--
including user-defined variables—in every subregion in
the first time interval.   Methods can be changed in subse-
quent TIME INTERVAL packets  if desired.  Note that  each
parameter entry contributes  to the overall parameter count;
the total number of parameters must not exceed the  maximum
specified in the CONTROL  packet.
CONSTANTS.  If the method CONSTANT is assigned to any  vari-
able in the METHOD packet, the first time interval  must contain
a CONSTANTS packet.  More than one CONSTANTS packet can appear
in any time interval.
GRID VALUES.  If the method  GRID VALUE is assigned  to  any
variable in the METHOD packet, the first time interval  must
contain a GRID VALUES packet.  More than one GRID VALUES
packet can appear in any  time interval.
STATION READINGS.  If either the POISSON or STATINTERP method
is assigned to any species in the METHOD packet, the first
time interval must contain a STATION READINGS packet.   More
than one STATION READINGS packet can appear in any  time
interval.
VERTICAL PROFILES.  If the method ABSTOPCONC or RELTOPCONC is
assigned to any species in the METHOD packet, the first time
interval must contain a VERTICAL PROFILES packet.  There must
be a vertical profile defined (or implied by means  of ALL) for
every variable in every subregion for which the profile
method was specified.  The number of height-value pairs in
any single profile must not  exceed the maximum specified in
the CONTROL packet.  More than one VERTICAL PROFILES packet
can appear in any time interval.
                          VII-149

-------
5.   Additional Input Files

     If the method ABSTOPCONC or RELTOPCONC was  selected,  the  REGIONTOP
file must be input to TPCONC.  In addition, if the method  RELTOPCONC
was selected, the DIFFBREAK file must also be input.

6.   Examples

     Exhibit VII-17 shows a sample input deck for TOPCONC  file generation.
The output from a TPCONC run using that input deck is  shown in Exhibit
VII-18.
                                VII-150

-------
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-------
L.   WIND

     The WIND file contains time-varying matrices of horizontal  wind
vector values in three dimensions and scalars representing overall  maxima
and average values at the boundaries.  The program WNDSET  is  used to
create the WIND file.  WNDSET requires subroutines from the libraries
UTILITY and FILUTIL.  Figure VII-23 is an information flow diagram
illustrating the job control to be used.  In the following sections we
discuss the input to the WNDSET program.

1.   Variables

     The WNDSET program has four implicit variables:   SPEED,  DIRECTION,
WINDX, and WINDY.  The first two represent a wind vector in polar form,
and the latter two represent the vector in terms of its x- and y-components.
A three-dimensional matrix is maintained for each variable.  In  general,
the input to the program will be SPEED and DIRECTION, whereas the vari-
ables written to the WIND file are WINDX and WINDY.  The WNDSET  program
calculates values for the undefined variables from those for  variables
to which values have been assigned.

2.   Methods

     The methods that can be used to generate the WIND file are:

     >  CONSTANT
     >  GRID VALUE
     >  STATINTERP
     >  POISSON
     >  DIVERGENCE
     >  VECTORIZE
     >  POLARIZE
                                 VII-156

-------
 DIFFBREAK
           '(12)
[REGIONTOP  r—	
[TEMPERATURP-^	
                               (f6ther Packets
                               'REGION
'CONTROL
                                  (5)
                   WNDSET/
                     UTILITY
                     FILUTIL
                (6)
          Wind Speed
          and Wind
          Direction
 WIND
 Figure VII-23.  Information Flow Diagram for the
                 WIND File
                      •VII-157

-------
     >  E-WINTERP
     >  N-SINTERP
     >  USER.

These methods are discussed in detail in Section VI.A.6.

     Since the WIND file varies in the vertical  direction,  a vertical
method must also be specified for each output variable in each  subregion.
The vertical methods that can be used are:

     >  CONSTANT
     >  ABSPROFILE
     >  RELPROFILE
     >  DIVERGENCE
     >  VECTORIZE
     >  POLARIZE
     >  E-WINTERP
     >  N-SINTERP
     >  VERTUSER.

These vertical methods are discussed in detail  in Section VI.A.(5.

3.   Time Variation

     The time span of the WIND file must include the  entire time span
of the simulation runs for which it is to be used.  Wind vectors and
scalar values are considered to be constant during each time  interval.

4.   Packets

     Figure VI1-24 shows the input deck structure in  terms  of  the packets
to be used.  Each of these packets is described in detail in Section
VLB.  Following are special  input packet considerations for the WIND
file:
                                  VII-158

-------
                 can be repeated
                                                   VERTICAL PROFILES
                                             [STATION  READINGS
                                                  must appear in the
                                                  first time interval
Figure VI1-24.    Input Card Deck Structure for Preparing
                 the WIND File
                          VII-159

-------
CONTROL
-  The file name on Card 2 must be WIND.
-  The control  variables to be specified  on  Cards 4  to 8
   for WIND are shown in Table VII-10.
-  The number of species should be zero.
-  If there are input variables other than  the four  implicit
   variables, their number must appear as the number of
   user-defined variables.  All such  variables must  also  be
   named in the UNITS packet.
-  If data from measuring stations are to be used  (methods
   STATINTERP,  POISSON, or DIVERGENCE), the  maximum  number
   of such stations must be given.
-  The number of subregions must be at least one.
-  The maximum number of parameters must  be  sufficient to
   include all  specifications  of all  parameters.
-  The vertical controls card  (No. 7) must  include maximum
   vertical parameter and profile entries as applicable.
-  The file unit assignment card (No. 8)  must provide entries
   for DIFFBREAK and REGIONTOP if any vertical method besides
   CONSTANT is  selected.  In addition,  entries for TEMPERATUR
   must appear if DIVERGENCE is used.
-  The beginning and ending dates and times  should reflect
   the time variation considerations  discussed in Section 3
   above.
-  A set of output species names is not required;  if they
   are present, their number must be  the  same as  the entry
   in the first control parameter on  Card 4, but  they will
   be ignored by the program.
REGION.  This packet must follow the  CONTROL packet. The
vertical parameters must be provided  for  the WIND file.
UNITS.  This packet, if present, must follow the  REGION
packet.  The UNITS packet must be provided  if:
-  Any input variable will be  input in other than  internal
   units.
                           VII-160

-------
Table VI1-10.  CONTROL Packet Entries  for the WIND File

      Card
     Number          	Entry	
        4            Number of species (=0)
                     Number of user-defined  variables
                     Number of stations
                     Number of subregions
                     Number of parameters
                     Spare
        5            Output file number
                     Print input cards
                     Print grids for x- and  y-components
                     Print grids for speed and direction
                     Spare
                     Spare
        6            Print units table
                     Print station locations table
                     Print regional  grid
                     Print methods table
                     Print station values table
                     Spare
        7            Number of vertical parameters
                     Number of heights in profile
                     Print vertical  methods  table
                     Print vertical  profile  tables
                     Spare
                     Spare
        8            DIFFBREAK file number
                     REGIONTOP file number
                     Spare
                     TEMPERATUR file number
                     Spare
                     Spare

                           VII-161

-------
   -  Any user-defined variables  are specified.
   -  COORD or HEIGHT unit conversions  are  to  be  used.
   The number of user-defined variables must not  exceed the max-
,   imum specified in the CONTROL  packet.
>  STATIONS.  This packet is required if  any of the methods
   STATINTERP, POISSON, or DIVERGENCE is  specified.   The  number
   of stations listed must not exceed the maximum specified  in
   the CONTROL packet.
>  TIME INTERVAL.  One or more TIME INTERVAL packets must be
   present.  The first time interval must begin at or before
   the beginning of the time span specified on Card 10 of the
   CONTROL packet.  All time*intervals  must be contiguous and
   of nonzero length.  Each TIME  INTERVAL packet  contains one
   or more of the following packets and ends with an ENDTIME
   card.  Following the first time interval, only those data
   that are to be changed need be specified.
>  SUBREGION.  The first time interval  must contain a SUBREGION
   packet; the inclusion of this  packet in  other  time intervals
   is optional.  The number of subregions must not exceed the
   maximum specified in the CONTROL packet.
>  METHOD.  A method must be provided for every variable--
   including user-defined variables—in every  subregion in the
   first time interval.  Methods  can be changed in subsequent
   TIME INTERVAL packets if desired.  Note  that each parameter
   entry contributes to the overall parameter  count; the  total
   number of parameters must not  exceed the maximum specified
   in the CONTROL packet.
>  VERTICAL METHOD.  A vertical method must be provided for every
   variable—including user-defined variables—in every subregion
   in the first time interval. Vertical  methods  can be changed
   in subsequent TIME INTERVAL packets if desired.  Note  that
   each vertical parameter entry  contributes  to the overall  ver-
   tical parameter count; the total must  not  exceed the maximum
   specified in the CONTROL packet.
                            VII-162

-------
     >  CONSTANTS.   If the method CONSTANT  is  assigned  to any  variable
        in the METHOD packet,  the first time interval must  contain a
        CONSTANTS packet.  More than one CONSTANTS  packet can  appear
        in any time interval.
     >  GRID VALUES.   If the method  GRID VALUE is assigned  to  any
        variable in the METHOD packet,  the  first time interval must
        contain a GRID VALUES  packet.   More than one GRID VALUES
        packet can  appear in any time  interval.
     >  STATION READINGS.  If  either the POISSON, DIVERGENCE,  or
        STATINTERP  method is assigned  to any variable in the METHOD
        packet, the first time interval  must contain a  STATION
        READINGS packet.   More than  one STATION READINGS packet can
        appear in any time interval.
     >  VERTICAL PROFILES. If  any of the profile methods are assigned
        to any variable in the VERTICAL METHOD packet,  the  first time
        interval must contain  a VERTICAL PROFILES  packet.   There must
        be a vertical  profile  defined  (or implied by means  of  ALL)
        for every variable in  every  subregion  for which a profile
        method was  specified.   The number of height-value pairs in
        any single  profile must not  exceed  the maximum  specified in
        the CONTROL packet.  More than  one  VERTICAL PROFILES packet
        can appear  in any time interval.

     Typically, the wind values input  will  be  in terms  of SPEED and
DIRECTION at measuring stations, whereas the variables  output  to the
file are WINDX and  WINDY.  In  this case, the methods and vertical methods
should be specified as follows:

     >  For SPEED and DIRECTION, use the method and vertical
        method POLARIZE if speed and direction grids are to be
        printed, or CONSTANT if they are not to be  printed. If
        CONSTANT is chosen, supply a dummy  CONSTANTS packet to
        give an arbitrary initial  value to  the SPEED and DIRECTION
        grids.
     >  For WINDX and WINDY, specify one of the methods using
        station readings—STATINTERP,  POISSON, or  DIVERGENCE—
        and the vertical  method desired for computation.
                                  VII-163

-------
     In each time interval,  missing values  of WINDX  and WINDY  for station
readings and vertical  profiles  will  be calculated  from SPEED and DIRECTION,
and vice versa.   To ensure that old values  are  replaced with the appropriate
new values, the  variables  WINDX and WINDY  must be cleared to -9.  before
reading in the data for a  new time  invertal.  For  station readings,  the
following can be done:

                     STATION READINGS                       STATION  READINGS
                                                            ALL     ALL    -9.
ALL
ALL
END
WINDX
WINDY
-9.
-9.
A shorthand method for clearing an entire vertical  profile  to  -9.  has  also
been provided—simply specify -9 as the number of profile heights,, as
shown in the followina example:

         VERTICAL PROFILES
         A	ALL	4200._	5000.	-9
         END-

5.   Additional Input Files

     If any vertical method besides CONSTANT was  selected,  the DIFFBREAK
and REGIONTOP files must be input to WNDSET.  In  addition,  if  DIVERGENCE
was selected the TEMPERATUR file must also be input.

6.   Examples

     Exhibit VI1-19 shows a sample input deck for WIND file generation.
The output from a WNDSET run using that input deck is  shown in Exhibit VII-20.
                                    VII-164

-------
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                                VII-176

-------
                  VIII SEGMENTATION  OF M.E.B.  FILES
     If the entire modeling region  is  too  large  to fit within the core
limitations of the Airshed Simulation  Program, the region must be sub-
divided into rectangular subregions called "segments" that wi11 fit into
core.  The segmentation process  involves  (1)  determining the size and
layout of the segments and (2) running the file  segmentation program to
create segmented versions of each spatially varying data file.  This
chapter first describes how to determine  the core requirements for a given
segmentation scheme and then'how to use the file segmentation program.

A.   CALCULATING CORE REQUIREMENTS

     The maximum horizontal dimensions allowable for a single segment
depend on the number of segments, the  number of  vertical levels and chem-
ical species, and the number of  point  sources within the modeling region;
the program options selected; and the  amount of  core available on the
host computer.  When the Airshed Simulation Program is installed on a
particular computer, it will contain a vector of available space.  The
length of this vector is specified  when the program is compiled and
should be as large as possible.  The vector of available space is used
to hold the following four tables:

     >  Segment
     >  Local
     >  Boundary
     >  Segment scratch.

The detailed contents of these tables  appear in  Chapter VII of the Systems
Manual.  Only the methods of calculating  the length of each table are
described here.
                                 VIII-1

-------
     To determine whether a segment of a given size will  fit in core,  the
calculated sizes of the tables must be summed and that total compared
with the amount of available core.   The calculations for  each table are
discussed next, followed by Exhibit VIII-1,  which is a worksheet to be
used for the calculations.  Finally, a sample problem is  presented showing
the calculation of core requirements for different segmentation schemes
for the same region.

1.   Segment Table

     The Segment Table contains 65 entries for each segment.

                             S.T. = 65*seg    ,

where seg « number of segments.

2.   Local Table

     The Local Table contains vectors used by the numerical  integration
routines.
where
                          L.T. = 5 + 32z + zs + 5s

                                   + 4r + 2r2
                                     6x
                                       max
             z » number of vertical levels,
             s - number of chemical species,
             r = number of reactive species,
                 maximum dimension in x or y direction for
                 any segment.
                                  VIII-2

-------
Fixed Dimensions    Simulation Options (1  = yes,  0 s  no)
    2 =
    S =
    r =
                        TEMPERATUR =
                        TERRAIN
                        ROADWAY
                        VARIATION  =
         X

         y
         p
     interface
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1




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ment
3




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5 +
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          TT"
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                      road    var
           zs
                                Sum of all  tables =
                                Available storage =
                                                         (S.T.)
                                                               (L.T.)
                                                               (B.T.)
                                                               (S.S.T.)
            Exhibit VII1-1.   Storage Requirements  Worksheet

                                VIII-3

-------
3.   Boundary Table

     The Boundary Table contains  the boundary  cell  definitions  and the
concentrations in the interface cells for a  single  segment.  The  "inter-
face cells" of a segment are those that lie  within  the  two-cell overlap
into the adjacent segment.   The number of interface cells  in a  segment
is two times the sum of the lengths of each  nonexternal  edge.   For non-
symmetrical segmentation schemes  (such as that shown in Figure  VIII-3),
the Boundary Table length for each segment must be  calculated
to determine the maximum storage  requirement.
                               •
                    B.T. » 8(x +  y) + zs (interface)    ,

where

                    z = number of vertical  levels,
                    s = number of chemical  species,
                (x+y) = sum of x  and y dimensions for the  segment,
          (interface) = number of interface cells in the segment,
                        i.e., 2 times the length of all  nonexternal
                        edges.

4.   Segment Scratch Table

     The Segment Scratch Table contains all  the other spatially varying
data arrays, including predicted  concentrations and variations, and  the
point source data, for one segment.

              S.S.T. = xy  8 + 2(terr) + 1  (temp) + 1 (road)

                             + 2z + s[2 + l(road) + l(var)]  +  zs

                             + p(2 + s)
                                  VIII-4

-------
where
             x - number of cells in x direction;
             y = number of cells in y direction;
             p = number of point sources;
             z = number of vertical levels;
             s = number of chemical species;
          terr = 1, if TERRAIN file input,
                 0, otherwise;
          temp = 1, if TEMPERATUR file input,
                 0, otherwise;
          road = 1, if ROADWAY file input,
                 0, otherwise;
           var = 1, if concentration variations are calculated,
                 0, otherwise.

5.   A Sample Problem

     As an example, consider the region shown  in Figure VIII-1, which  is
17 x 22 cells, with the outer edge used as  the boundary;  the area  modeled
is thus 15 x 20 cells.  There are 4 cells  in the vertical  direction,
13 chemical species to be modeled, and 200  elevated point sources.  There
are spatially varying terrain and temperature  data but no roadway  emis-
sions file and, therefore, no surface layer variations.  The core  require-
ment calculations for this unsegmented region, which are  shown  in  Exhibit
VIII-2, indicate that the vector of available  space must  be  at  least 40373
words long.  If it is not that long, the region must be divided into
segments small enough to fit in core.

     First, the user must try dividing the  region in half, as shown in
Figure VIII-2.  (Recall that at each segment interface there is a  two-cell
overlap into the adjacent segment.)  The resulting two segments are each
17 x 13 and the area modeled within each is 15 x 10.  Each has  one non-
external edge 17 cells long.  If the point  sources are distributed fairly
                                  VIII-5

-------
Segment  Inner Area   Total  Area   Interface Cells

   1      15 x 20     17  x  22           0
                                                      Modeling
                                                      Region
                                                      Simulated
                                                      Area
    Figure  VIII-1.  Sample Region—Unsegmented
                     VIII-6

-------
Fixed Dimensions  '  Simulation Options (1  = yes,  0 = no)
z
s
r








= -y TEMPERATUR = /
= J3 TERRAIN = /
« JSL ROADWAY = o
VARIATION = o
Segment

x
y
p

interface
1
n
.22.

J.OQ
—
2





3
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4





      65 x
            seg
      5 + /;z.2  + 53. +
          32z     zs    5s
           4r
                 2r'
          6(x,y)
                max
3?  +     O
      8(x+y)    zs (interface)


      8 +  JL   +   /   +   0
          2terr    temp    road
                (2 +   o   +  o  I
                      road    var
        +  SSL
           ZS
                                     •[ ]
                                lS_ x
                                                      (S.T.)
                                                          7/g (L.T.)
                                                         5/3. (B.T.)
                                Sum of all  tables =   YO 373

                                Available storage *  30. 000
      Exhibit VIII-2.  Worksheet Filled Out for an  Unsegmented Region

                                VIII-7

-------
                  Segment  Inner Area  Total Area  Interface Cells
                     1       15 x 10    17 x 13
                     2       15 x 10    17 x 13
2 x 17
2 x 17
     Segment 2 /
Interface Cells
                                                                       Interface Cells
                                                                      >Segment 1
   * Segment origins input to  the  file segmentation program.
                Figure VIII-2.   Sample  Region Divided into Two Segments
                                       VIII-8

-------
evenly throughout the region, there will be approximately 100 in each segment
(count only the point sources within the modeled area, not those in the
interface cells).  Exhibit VIII-3 shows the computation of a core require-
iient of 25763 for this two-segment scheme.

     If the two-segment scheme is still too large, the region can be further
divided.  Figure VIII-3 illustrates a three-segment scheme, without the actual
segment edges drawn in.  Size computations  are shown in Exhibit VIII-4.

     The objective of any segment layout design is to minimize the length
of the segment boundaries to obtain segments that are as nearly square
and equal sized as possible.  Thus, the arrangement of the three segments
shown in Figure VIII-3 represents a more efficient utilization of core
space than that which would be obtained by  merely cutting the region into
three slices along either axis.

B.   THE FILE SEGMENTATION PROGRAM

     The spatially varying data files must  be converted into segmented form_
according to the region segmentation scheme selected.  If segmentation is
not necessary, the files may be used in their unconverted form since unseg-
mented files are structured like segmented  files that contain only one
segment.  The file segmentation program (SEGDEF) is used to create a segmented
file from an unsegmented file.  It will operate on any of the 11 spatially
varying M.E.B. files, but only on one at a  time.  SEGDEF requires subroutines
from the libraries UTILITY and FILUTIL.

     The input to SEGDEF consists of a card deck and one unsegmented file,
as illustrated in Figure VIII-4.  The CONTROL and REGION packets are described
in detail in Section V.A.  The SEGMENTDEF and SEGMENT FILE packets are defined
here in Sections B.I and B.2.
                                  VIII-9

-------
Fixed Dimensions  '  Simulation Options (1 = yes, 0 = no)
    z
    s
                      TEMPERATUR
                      TERRAIN
                      ROADWAY
                      VARIATION
         x
         y
         p
     interface
Seg
1
n
/3
/06
3y
2
/7
i3
/oa
jy
ment
3




4




      65 x  A
            seg
      5 + /s.'s  + 5^ +
          32z     zs    5s

             '•''max
      8(x+y)    zs (interface)
      8
          Iterr
           temp
 O
road
+  /3   (2 +   Q
    §         road
^  57-
   zs
                              O
                              var
                                       ?7  x
                                      [ ]
                                      4  /S  X _/££
                                               p
                        Sum of all tables
                                                  /30 (S.T.)
                                                               (L.T.)
                                                        .2003- (B.T.)
                               937 (S.S.T.)
                                                         7 (e 3
                                Available storage =  3000
        Exhibit VIII-3.  Worksheet Filled Out for a Two-Segment Region
                                VIII-10

-------
    Segment  Inner Area  Total Area  Interface Cells
       1       7x13     10  x 16     2 x (10 + 16)
       2
       3
 8x13
15 x 7
11 x 16
17 x 10
2 x (11  + 16)
2 x 17
                1}
   * Segment origins  input  to the file segmentation program.
Figure VIII-3.    Sample  Region Divided into Three Segments
                         VIII-11

-------
Fixed Dimensions  '  Simulation Options (1  ~ yes,  0 - no)
    z =
    s =
    r s  /SL
                   TEMPERATUR
                   TERRAIN
                   ROADWAY
                   VARIATION
         x
         y
         p
     interface
      65 x   3
            seg
Seg
1
10
Ib

£Z
2
H
1(9

*jr/max
         j.7  +   si
      8(xty)    zs (interface)
      8
          Iterr    temp    roa
2z
/3   (2
                       	
                      road    var
        +  3"2
           zs
                                     -[ ]
                                              /9S*  (S.T.)
                                                               (L.T.)
                                                ^Y (B.T.)
                     Sum of all  tables
                                Available storage =
                                                       a. / 7
     Exhibit VIII-4.  Worksheet Filled Out for a Three-Segment Region

                                YIII-12

-------
 (Unsegmented
 I File
                                                 END SEGMENT
                                           r
              SEGMENT  FILE
                                       r
          SEGMENTDEF
                                  I
      REGION
/"CONTROL
                                         (5)
                             SEGDEF
                                       .(27)
                Grid
                Printout
        Segmented
        File
Figure VII1-4.   Information Flow Diagram for the File Segmentation Program
                                  VIII-13

-------
The CONTROL packet entries for SEGDEF are shown  in  Table VIII-1.   The  follow-
ing are special considerations for the CONTROL and  REGION  packets  that pertain
to this program:

   •  >  CONTROL
        -  The file name provided in Card 2 must be SEGMENTDEF.
        -  The only options recognized by the file  segmentation
           program are the number of species, the number of seg-
           ments, and the print flags for the input cards  and  the
           segmented regional  grid.
        -  The beginning and ending dates can be the same  as or
           contained within those of the file to be segmented.
        -  The list of species may be a subset of the list in  the
           file; their number must be the same as the entry in the
           control parameter above.   If the file to be segmented
           contains no species, the list can be  omitted.
     >  REGION
        -  This packet is standard in all respects.  The region
           can be a subregion of the region described in the file;
           if the file is three-dimensional, vertical parameters
           in the REGION packet must match those on the file.

1.   The SEGMENTDEF Packet

     The SEGMENTDEF packet provides the definition  of the  segmentation
scheme.  The contents of this packet are described  in Table VII1-2, and
the format is shown in Exhibit VIII-5.  For every segment  there  should be
one Card 2 containing parameters defining the inner, modeled area  of the
grid.  Thus, in the Figure VIII-2, a two-segment scheme, the origin of
Segment 1 is defined as Cell (2,2) and its dimensions are  15 x 10.  The
origin of Segment 2 is defined as Cell (2,12) and its dimensions  are also
15 x 10.  The file segmentation program adds extra  cells as necessary at
external boundaries and at segment interfaces, and  adjusts the origins and
dimensions accordingly.  In Figure VIII-3, the segment origins to be specified
in the SEGMENTDEF packet are indicated by stars  in  the grid cells.

                                  VIII-14

-------
Table VIII-1.   CONTROL Packet Entries  for File Segmentation
             Card
            Number          	Entry	
             4             Number of species
                           Spare
                           Spare
                           Number of segments
                           Spare
                           Spare
             5             Spare
                           Print input cards
                           Print regional grid
                           Spare
                           Spare
                           Spare
             6             Spare
                           Spare
                           Spare
                           Spare
                           Spare
                           Spare
              7             Spare
                           Spare
                           Spare
                           Spare
                           Spare
                           Spare
              8             Spare
                           Spare
                           Spare
                           Spare
                           Spare
                           Spare
                        VIII-15

-------
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2.   The SEGMENT FILE Packet

     The SEGMENT FILE packet provides the name of the file to be segmented
and the standard input and output units for the unsegmented and segmented
files, respectively.  The contents of this packet are described in Table
VIII-3, and the format is shown in Exhibit VIII-6.   The file name on the
file designation card must be one of the following:

     >  AIRQUALITY
     >  BOUNDARY
     >  DIFFBREAK
     >  EMISSIONS
     >  PTSOURCE
     >  REGIONTOP
     >  ROADWAY
     >  TEMPERATUR
     >  TERRAIN
     >  TOPCONC
     >  WIND

The input file unit number must always be 17, and the output file unit
number must always be 27.

     Exhibit VIII-7 shows sample input to the file segmentation program;
Exhibit VIII-8 shows sample output from this program.
                                  VIII-18

-------
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-------
                IX    PREPARATION  OF CONTROL  DATA
     Of the 14 files Input to the Airshed Simulation  Program,  two  are
classified as control data files:  the Chemistry Parameters  file
(CHEMPARAM), and the Simulation Controls file (SIMCONTROL).  This  chap-
ter describes in detail the preparation of these files  and includes  for
each a job control illustration, packet item definitions  and packet
formats, worksheets, and sample input and output listings.

A.   THE CHEMISTRY PARAMETERS FILE

     The Chemistry Parameters (CHEMPARAM) file names  the  species to  be
simulated and specifies values for species-related  and  reaction-related
parameters.  Figure IX-1 is an information flow diagram for  use in set-
ting up the job control for a CHEMPARAM file creation run.   The program
that creates the CHEMPARAM file is called CPREP; it requires as input a
CONTROL packet, a SPECIES packet, and if there is to  be chemistry, a
REACTIONS packet and a COEFFICIENTS packet (fully described  below).  The
printed output from CPREP consists of input numbers,  error messages, if
any, and the values written to the CHEMPARAM file (see  Section A.5 of
this chapter for sample input and output listings).   The  file  itself is
written to FORTRAN Unit 2, and the file format is given in Chapter IX
of the Systems Manual.

1.   CONTROL Packet Rules for the CHEMPARAM File

     An abbreviated CONTROL packet is used to create  the  CHEMPARAM file.
The packet names and identifies the file and specifies  for it  the  number
of  species, reactions,  and coefficients.  This packet must be entered
before  any other  packet.  The contents of each card in the CONTROL pack-
et  are  described  in  Table  IX-1 and the format is shown in Exhibit IX-1.

                                   IX-1

-------
(6)
 Printed
 Values
                             /COEFFICIENTS
                         ^REACTIONS
                     /SPECIES
                 /CONTROL
                        (5)
                      CPREP
     (2)
CHEMPARAM
Figure IX-1.   Information Flow Diagram for Use  in
              Creation  of the CHEMPARAM File
                      IX-2

-------
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2.   SPECIES Packet Rules for the CHEMPARAM File

     The SPECIES packet must follow the CONTROL packet in the input deck
used to create the CHEMPARAM file.  The SPECIES packet consists of a
packet header card, one pair of Cards 2 and 3 for each species to be
simulated, and a packet terminator card.  The contents of each card in
the SPECIES packet are described in Table IX-2, and the format is shown
in Exhibit IX-2.

     The chemical species can appear in any order on the CHEMPARAM file,
provided that all the reactive species precede all the unreactive
species.  The output files AVERAGE, INSTANT, and VARIATION will contain
these species in this order.

     If any reactive species are to be simulated, their names must cor-
respond to the species names used in the chemical mechanism that is
built into the program.  For the Carbon-Bond II Mechanism (currently built
into the program), the following species names are required:

     >  NO
     >  N02
     >  03
     >  ETH
     >  OLE
     >  PAR
     >  CARB
     >  ARO
     >  BZA
     >  PAN
     >  CO.

All the first 10  species  (NO through  PAN) must appear  (though  not neces-
sarily  in the order listed) and all must be flagged as reactive.  CO must
                                    IX-5

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                               IX-8

-------
also appear, without a reactive flag, and must follow the listing of all
the reactive species.  S02 and AEROSOLS each can be named as  reactive or
unreactive, or they can be omitted from the simulation altogether.   Any
other reactive species are illegal, since there have been no  reactions
defined to deal with them.  However, any other unreactive species can be
specified without limitation other than core availability.

     The species names on the species-varying data files must also cor-
respond to the names in the CHEMPARAM file.  If a name that is not on the
CHEMPARAM file appears on a data file, the data for that species will be
ignored.  If a name is on the CHEMPARAM file but does not appear on a
data file, the following default values apply:

     >  For concentration data (from AIRQUALITY, BOUNDARY,  or
        TOPCONC), the steady-state lower bound values (see
        Card 3 of the SPECIES packet) will be used.
     >  For emissions data (from EMISSIONS, ROADWAY, or
        PTSOURCE), the value zero will be used.

     Exhibit IX-3(a) is a worksheet that can be used to aid in the prepar-
ation of the SPECIES packet.  Exhibit IX-3(b) is a sample of that worksheet
filled in with typical values used for the Carbon-Bond II Mechanism.
                                   IX-9

-------
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                                                    IX-10

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                                                 IX-11

-------
3.   REACTIONS Packet Rules for the CHEMPARAM File

     If the number of reactions specified in the CONTROL packet is
greater than zero, there must be a REACTIONS packet following
the SPECIES packet.  If there are no reactions, the REACTIONS packet
must be omitted.  This packet consists of a header card, a mechanism
name, one card for each reaction, and a packet terminator.  The contents
of each card in the REACTIONS packet are listed in Table IX-3,  and the
format is shown in Exhibit IX-4.

     For simulation purposes, a reaction is considered to be photolysis,
or temperature-dependent, or neither of these.  If the photolysis flag
is "on" (i.e., a value of P is punched in Column 21), the reaction is
photolysis.  If the photolysis field is not P and the reaction rate
constant and activation energy are nonzero, the reaction is temperature-
dependent, and a nonzero value for the reference temperature must be
provided.  If the reaction rate constant or the activation energy is
zero, the reaction is considered to be not temperature dependent.
Exhibit IX-5(a) is a worksheet that can be used to aid in the prepara-
tion of the REACTIONS packet.  Exhibit IX-5(b) is a sample of that
worksheet filled in with typical values used for the Carbon-Bond II Mech-
anism.  Since temperature-dependent reaction rates are recalculated
with an exponential expression at each time step in each grid cell, it
is suggested that the temperature-dependence parameters—activation
energy and reference temperatures—be specified for only those reactions
for which the temperature range experienced during the simulation period
will produce significant differences in predicted concentrations.  For
the Carbon-Bond Mechanism, the activation energies considered important
at present are indicated in the example of Exhibit IX-5(b).
                                   IX-12

-------
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-------
4.   COEFFICIENTS Packet Rules for the CHEMPARAM File

     If the number of coefficients specified in the CONTROL packet is
greater than zero, there must be a COEFFICIENTS packet, and it must
follow the REACTIONS packet (or the SPECIES packet, if there is no
REACTIONS packet).  If there are no coefficients, this packet must be
omitted.  The COEFFICIENTS packet consists of a header card, one card
for each coefficient, and a packet terminator.  The contents of each card
are described in Table IX-4, and the format is shown in Exhibit IX-6.

     Exhibit IX-7(a) is a worksheet that can be used to aid in the prep-
aration of the COEFFICIENTS packet.  Exhibit IX-7(b) is a sample of
that worksheet filled in with typical  values used for the Carbon-Bond II
Mechanism.
                                   IX-23

-------
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-------
5.   CPREP Sample Input and Output

     Exhibit IX-8 is a listing .of an input deck used to create a
CHEMPARAM file; it contains the values from the sample worksheets
[Exhibits IX-3(b), IX-5(b), and IX-7(b)].  Exhibit IX-9 is the printout
that was generated by CPREP; the first two pages list the values on the
input cards as they are read in, and the last two show the values put
out to the CHEMPARAM file.
                                  IX-28

-------
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-------
B.   THE SIMULATION CONTROLS FILE

     The Simulation Controls (SIMCONTROL) file, generally the last to
be prepared, is the input file likely to be varied the most frequently.
As previously mentioned, this file can routinely be prepared as a sep-
arate job step within each airshed simulation run.

     Figure IX-2 is an information flow diagram for use in setting up
the job control for a SIMCONTROL file creation run.  The program that
creates the SIMCONTROL file is called SPREP.  It requires as input a
CONTROL packet and a SIMULATION packet, which are described in detail
in the next section.  The printed output from SPREP consists of input
numbers, error messages, if any, and the values written to the
SIMCONTROL file (see Section B.3 of this chapter for sample input and
output listings).  The file itself is written to FORTRAN Unit 1, and
the file format is given in Chapter IX of the Systems Manual.

1.   CONTROL Packet Rules for the SIMCONTROL File

     An abbreviated CONTROL packet is used to create the SIMCONTROL
file.  The packet names and identifies the type of file to be created,
and it must be entered before any other packet.  The contents of each
card in the CONTROL packet are described in Table IX-5, and the format
is shown in Exhibit IX-10.

2.   SIMULATION Packet Rules for the SIMCONTROL File

     The SIMULATION packet must follow the CONTROL packet in the input
deck used to create the SIMCONTROL file.  The contents of each card in
the SIMULATION packet are described in Table IX-6 and the format is
shown in Exhibit IX-11.
                                  IX-36

-------
(6)
 Printed
 Values
                     /SIMULATION
                 CONTROL
                        (5)
                       SPREP
                        (1)
                  SIMCONTROL
Figure IX-2.   Information Flow Diagram for Use in
              Creation of the SIMCONTROL File
                IX--37

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3.   SPREP Sample Input and Output

     Exhibit IX-12 is a listing of an input deck used to create a
SIMCONTROL file.  Exhibit IX-13 is the printout that was generated by
SPREP; it first lists the values on the input cards  as they are read
in, and then shows these values put out to the SIMCONTROL file.
                                  IX-49

-------
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                            IX-52

-------
                         X  AIRSHED SIMULATION


     After all the input data  files  have been  prepared as described  in
the preceding chapters, running the  Airshed  Simulation Program  is  simply
a matter of properly assigning all the input files and arranging to  save
all the desired output files.   That  is,  running  the simulation  is-pri-
marily a job control function, since the bulk  of the input and  output
processing is performed outside of this  step.

     This chapter discusses job control  in terms of input, scratch,  and
output files; describes and presents samples of  the printed  output;  and
discusses the error messages generated by the  program.  Also included is
a worksheet that can be used to keep track of  files.

A.   JOB CONTROL

     Figure X-l shows the information flow for the Airshed Simulation
Program.  (Each group of files is discussed  in more detail later.)  Dotted
lines indicate a possible creation of the SIMCONTROL file  in a  separate job
step, and a possible restart using a previously  generated  output  INSTANT
file as an input AIRQUALITY file. Because the actual job  control  state-
ments required are highly dependent  on a particular implementation or
computer, they are not specified here, but should be developed  by  the com-
puter personnel who implement the system.

     Tables X-l, X-2, and X-3 show the FORTRAN unit assignments of the
Airshed Simulation  Program's  input,  scratch, and output files,  respec-
tively.  Currently, these unit assignments are compiled in the  program  by
data statements in  the subprogram BLKDAT.  For instructions  on  changing
the assignments, see Section VII.H.  of the Systems Manual.  The local  file
designation that corresponds  to each data file should be entered in  the
tables  for each specific implementation:

                                    X-l

-------
I S1«ulit1on I
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i 	 ,
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r
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Figure X-l.  Information Flow Diagran for the Airshed Simulation Program
                                    X-2

-------
         Table X-l.   Input File Assignments
File Name
AIRQUALITY
BOUNDARY
DIFFBREAK
EMISSIONS
METSCALARS
PTSOURCE
REGIONTOP
ROADWAY
TEMPERATUR
TERRAIN
TOPCONC
WIND
CHEMPARAM
SIMCONTROL
Unit
No.
3
11
12
13
7
14
15
16
17
4
18
19
2
1
File Closed
Optional During
LBL Ifn* File Simulation
AIRQ
BOUND
DIFBK
EMISS
METS
POINTS
REGTOP
ROAD
TEMP
TERAIN
TOPCON
WIND
CPARAM
SIMCTL
/




/

/
/
/ /


/
/
* "Ifn" means local  file name.
                          X-3

-------
      Table X-2.  Scratch File Assignments
File Name
INTERINST
BON1
BON2
CON1
CON2
CUM!
CUM2
SEG1
SEG2
Unit
No.
30
37 '
38
33
34
35
36
31
32
LBL Ifn
TAPE30
t
t
TAPE 33
TAPE 34
TAPE35
TAPE36
TAPE31
TAPE 32
Optional
File

it
*
*

*

*

                                        File Closed
                                          During
                                        Simulation
* Not used for runs with only one segment.

t The LBL system utilizes large core memory instead
  of these files ; UNIVAC uses extended memory.
        Table X-3.  Output File Assignments

File Name
AVERAGE
INSTANT
VARIATION
Execution
Trace

Unit
No.
21
22
23
6


Optional
LBL Ifn File
AVERAG /
INST /
CONVAR /
OUTPUT

File Closed
Duri ng
Simulation





                         X-4

-------
     >  For the LBL CDC 7600 system, six-character mnemonic names
        are used instead of "TAPEnn."
     >  For the UNIVAC 1100 systems, the internal  file names are
        the unit numbers themselves.
     >  For IBM systems, the DD names are of the form "FTnnFOOl."

1.   Input Files

     Table X-l lists fourteen input files—twelve M.E.B.  files and two con-
trol files.  Four of the M.E.B. files are optional:  PTSOURCE, ROADWAY,
TEMPERATUR, and TERRAIN; all other input files  must be present.  For
more information on selecting input file options and providing default
values for the data omitted, see the Section IX.B  on preparation of the
SIMCONTROL file.

2.   Scratch Files

     Table X-2 shows the nine scratch files that might be used by  the
simulation.  The actual number of files used and the method of assigning
them are governed by the particular implementation of the system.   For
example, at LBL, only seven of the files are used, and the other two
are represented by vectors in large core memory.   See Section VII.B
of the Systems Manual for more detailed information on the scratch files.

3.   Output Files

     As shown in Table X-3, the Airshed Simulation Program can write up to
three binary data files, which are described in detail  in Chapter  IX of the
Systems Manual.  The presence or absence of these  files is determined  by
parameters on the SIMCONTROL file:
                                      X-5

-------
     >  AVERAGE will be written if the averaging interval  is  less
        than 99.0 hours.
     >  INSTANT will be written at the beginning of the simulation,
        at the instantaneous output interval,  and also at  the end  of
        each averaging interval if that time does not coincide with
        an instantaneous output time.   If both the instantaneous
        output interval and the averaging interval are greater than
        99.0 hours, INSTANT will not be written at all.
     >  VARIATION will be written if the concentration variation
        option is TRUE and the averaging interval is less  than
        99.0 hours.

B.   PRINTED OUTPUT

     The printed output from the simulation program appears on the Execution
Trace file—ordinarily the standard print unit—and always contains  at  least
the following information:

     >  A complete display of the contents of the SIMCONTROL  and
        CHEMPARAM files.
     >  The region description as specified on the BOUNDARY file.
        This description serves as the standard for the run:   the
        horizontal grid parameters on all other spatially  varying
        files and the vertical distribution parameters on  all other
        vertically varying files must match those of the BOUNDARY
        file.
     >  The header information from each M.E.B. file.  If  the files
        were uniquely identified at the times  they were created,
        this information completely defines all data input to the
        run.
     >  A message when each non-time-varying file is closed.
     >  A message at the end of each time slice indicating elapsed
        CPU time (if the host computer provides the capability).
     >  A message at the termination of the run.
                                     X-6

-------
     As indicated on the SIMCONTROL file, additional printed output
options are also available that are primarily useful for debugging:

     >  The file history printout consists of a message printed
        whenever a time interval record is read from any file.
        During early simulation runs, this information can help
        the user follow the progress of the run.
     >  The storage allocation printout consists of tables list-
        ing pointers to scratch storage.  Each entry is the rela-
        tive location of a data array in a single storage vector.
        To interpret these tables, see Section VII.B of the
        Systems Manual.
     >  Instantaneous and average concentration arrays may be
        printed at the same time they are written on the files.
        They are printed by segments, within each segment by
        species, and within each species by vertical level.
        These printouts contain values in the boundary cells
        that do not necessarily represent the actual boundary
        values at the time; thus, they should be used only for
        program debugging or for preliminary runs for which
        the binary output files are not to be saved.

Exhibit X-l  is an annotated excerpt of the output from a  successful Airshed
Simulation Program run that contains samples of all  the normal and optional
information printed.

     If the Airshed Simulation Program is unable to perform the chemistry
step successfully for any cell, it will give a "crash printout," showing
the values in all data arrays in the vicinity of the cell where the error
occurred.  Also included are the values in the local vectors  used  by the
simulation.  A sample of the crash printout is shown in Exhibit X-2.
The user  should examine this printout and look for anomalous  values of
                                  X-7

-------
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any data.  Check that printed values correspond to the data expected from
the input files.

     If no readily apparent errors can be found in the model  inputs, then
the available input and output should be examined by someone familiar with
the technical components of the model.  In undertaking the diagnosis, one
should note the cause of the failure (iteration limit exceeded or negative
concentration predicted).  First, attention should be given to reaction
rate constants and stoichiometric coefficients.  Next, the predicted concen-
trations should be examined.  Usually, one will note predictions for one or
more pollutants that fall outside the expected nominal range of values for
the particular contaminants in question.  The development of an understand-
ing of how these concentration values occurred will  often suggest means for
resolving the problem.  For example, a very high NO concentration prediction
may be causing the model to predict negative 03 concentrations.  The user
might subsequently find that the NO emissions rate from a point source was
in error by a factor of 100.  Skill in diagnosing such problems requires
some familiarity with the physical and chemical processes that take place
in the atmosphere as well as an understanding of how these processes are
treated in the model.

C.   ERROR CONDITIONS

     Table X-4 lists error conditions that could cause the Airshed Simulation
Program to terminate before the simulation is completed.   These are situa-
tions detected by the program itself rather than by the operating system,
and the program will exit normally.  Included in the table are the names of
the subroutines in which the error messages are printed.
                                   X-31

-------
       Table X-4.   Airshed Simulation Program  Error Conditions
               Error Condition
Control file errors
  File improperly named
  Species or coefficient required by built-in
  chemical mechanism is missing
  Reactive species not listed in built-in
  mechanism
Allocation errors
  Space allocation exceeded—region dimensions
  too large
M.E.B. file errors
  File missing or improperly named
  Time span on file does not encompass time
  span of run
  Region or segment definition does not match
  that on BOUNDARY file
  Time intervals on file are not contiguous
  Unexpected end-of-file

Chemistry errors
  Negative concentrations at minimum step
  size
  Nonconvergence of concentration values at
  minimum step size
  Nonconvergence of
                          iteration
Other errors
  Program about to run out of time
                                                   Subroutine(s)
                                                 That  Print  Errors
                                                 SCREAD, CHREAD
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                                                 SPECID
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STEP4

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FINISH
                               X-32

-------
                         XI   DISPLAY AND ANALYSIS

       Concentration values predicted  by  the Airshed  Simulation  Program are
saved on binary files and are thus  available for  any  display and analysis tech-
niques that might be developed.   At present, there  is one  program available  to
handle the airshed simulation output files.  Currently,  it can  be used only  for
the display of the concentration data,  but analysis capabilities can  be easily
added.  In this chapter,  the general capabilities of  the display program are
discussed, followed by descriptions and examples  of its  input and output.  A
detailed description of the program is  given in the Systems Manual.

A.     CAPABILITIES OF THE DISPLAY  PROGRAM

       The display program provides for two distinct  operaing modes:  prediction
and comparison.  In the "prediction" mode, concentration predictions  are read
from one airshed simulation run, and concentration maps  and vertical  concentra-
tion profiles are printed.   Capabilities  that  could be added to  the program  in
this mode include contour mapping of concentration  isopleths and calculation of
some simple statistics, such as  hourly  maximum concentrations for each species,
frequency of exceeding certain specified  levels,  and  concentrations averaged
over time periods longer than that  used by the simulation.

       In the "comparison"  mode, which  has been provided for but not  yet im-
plemented, one set of concentrations would be  subtracted from another, and all
further display and analysis would  be  performed on  the resulting array of dif-
ferences.  The comparison mode could be used for  validating model predictions
against observed data as  well as assessing the impact of different model scen-
arios.

       The display program is currently capable of  processing a  region of up to
30 x 30 grid cells in the horizontal plane, with  a maximum of 13 chemical
species.  These maximum dimensions  can  be changed by  recompiling the  program.
                                       XI-1

-------
 B.     INPUT REQUIRED BY THE DISPLAY PROGRAM

       As illustrated in Figure XI-1, the input to the display program con-
 sists of the following:

       >  Card-supplied display options and print controls.
       >  Three data files used by the simulation program.
       >  One output concentration file from the simula-
          tion program.
       >  Optionally, a second concentration data file.

 This section discusses first the data files that are to be input, and then
 details the contents and format of the input cards.

 1.     Data File Input

       If concentration maps and vertical profiles are requested (currently
 the only features available), the BOUNDARY, DIFFBREAK, and REGIONTOP files
 used for the simulation run must be input.  The BOUNDARY file describes the
 segmentation layout and defines the boundary of the simulated area in the
 horizontal plane.  The DIFFBREAK and REGIONTOP files are used to calculate
 vertical heights at selected stations.  If the simulation has been performed
 with more than 1 segment, it is the segmented versions of the BOUNDARY,
 DIFFBREAK, and REGIONTOP files that must be provided to the display program.

       One of the Airshed Simulation Program output files containing predicted
concentration values must also be input.   The concentration values can be
instantaneous (INSTANT) or averaged over a time interval  (AVERAGE); the
output intervals for both files are specified in the SIMCONTROL  file.   The
display program recognizes the file type from the header record, and formats
the output accordingly.

       If a comparison run is to be made (an option not yet fully implemented),
a second concentration file must also be input.   This file could contain con-
centration fields gridded from observed data using the AIRQUALITY data prepar-
ation program, or it could contain the results from another airshed simulation
run.

                                       XI-2

-------

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                                XI-3

-------
       All input files must contain the same segment structure;  that is,  all
must be either unsegmented or segmented according to the same segment layout.

2.     Card Input

       The display program requires the following data to be input on cards:

       >  Output display options
       >  Names of species to be examined
       >  Vertical level to be considered
       >  Print controls
       >  Measurement station and landmark names and locations
       >  Display units conversion factors
       >  User comments to appear on output.

The exact structure of each data card is shown in Table XI-1; Exhibit XI-1
is a sample input deck.  Consistent with assumptions used in both the data
preparation and simulation programs, the following conventions are generally
followed in specifying data fields on each card:

       >  Integer input is in 10-character fields, up to six per card.
       >  Real number input is floating point in 10-character fields,
          up to six per card.
       >  Alphanumeric input is read and stored as one character per
          machine word.
                                      XI-4

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                                  OLE
                                           PAR
                                       09.01
                              USER COMMENT
                            ST. LOUIS REGION
Exhibit  XI-1.  Sample  Input for  the Display  Program
                                XI-10

-------
C.   OUTPUT PRODUCED BY THE DISPLAY PROGRAM

     The display program first prints a header page,  including  the alpha-
numeric region description supplied in the input deck,  the dimensions  of
the simulated area of the grid, the input user comment, and the run iden-
tifier from the simulation run that produced the concentration  predictions.
A sample of the display program header page is shown  in Exhibit XI-2.

       The display program, operating in prediction mode,  currently produces
two types of output for each time interval  on the input concentration  file.

       >  Vertical concentration profiles.   At each station location
          input, the concentrations at each vertical  level  are  printed
          for each designated species.  The heights of  the diffusion
          break (mixing depth) and top of the region  are also printed
          at each station.  An example of vertical  profile output is
          shown in Exhibit XI-3.
       >  Ambient concentration-maps.  Maps are printed of concentra-
          tions in all horizontal grid cells (excluding boundary cells)
          at the vertical level designated by the user.  Printout is
          confined to those hours and species designated by the user.
          A separate map is produced for each species at each print
          time.  Station sites and landmarks are also printed on each
          concentration map.  An example of the concentration maps is
          shown in Exhibit XI-4.

       Operating in comparison mode, the display program would  calculate re-
siduals for a designated vertical level by subtracting  the concentration field
on the "comparison" file from the corresponding field on the primary concentra-
tion file.  Among the statistics calculated for these residuals would  be the
average value, standard deviation, and correlation coefficient.  Calculation  of
other statistics could be readily incorporated into the program.  These  sta-
tistics would be calculated for each designated species at each print  time.
Maps of residuals could also be generated for each desired species at  each
specified print time.
                                   XI-11

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                                REFERENCES
Anderson, G. E., S. R. Hayes, M. J. Hillyer, J. P. Killus, and P. V.
     Mundkur.  1977.  "Air Quality in the Denver Metropolitan Region:
     1974-2000."  Systems Applications, Inc., San Rafael, CA (EPA-908/1-
     77-002).

Briggs, 6. A.  1975.  Plume rise predictions.  In Lectures on Air
     Pollution and Environmental Impact Analyses.  D. A. Haugen, ed.,
     American Meteorological  Society, Boston, Massachusetts.

Builtjes, P.J.H., K. D. van den Hout, and S. D. Reynolds.  1982.
     "Evaluation of the Performance of a Photochemical Dispersion Model in
     Practical Applications."  Presented at the 13th  International
     Technical Meeting on Air Pollution Modeling and  Its Applications,  14-
     17 September 1982, lie des Embiez, France.

Deardorff, J. W.  1972.  Numerical  investigation of neutral and unstable
     planetary boundary layers.  J. Atmos. SciA, 32:1794-1807.

Haney, J. L, T. W. Tesche, and 0. P. Killus.  1983.   "Application of tne
     Systems Applications Airshed Model to the Philadelphia Metropolitan
     Area:  19 July 1979 Ozone Episode."  Systems Applications, Inc., San
     Rafael, CA (SYSAPP-83/057).

Hayes, S. R.  1978.  "Performance Measures and Standards for Air Quality
     Dispersion Models."  Systems Applications, Inc., San Rafael, CA
     (Publication 78-93).
8«t033                               R-l

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Hillyer, M. J., S. D. Reynolds, and P. M. Roth.   1979.   "Procedures  for
     Evaluating the Performance of Air Quality Simulation Models."
     Systems Applications,  Inc., CA (Publication  79-25R).

Jerskey, T. N., and J. H. Seinfeld.  1976.  "Continued Research in
     Mesoscale Air Pollution Simulation Modeling--Volume  IV:   Examination
     of the Feasibility of Modeling Photochemical Aerosol Dynamics."
     Systems Applications,  Inc., San Rafael, CA  (EPA-600/4-76-016d).

Oerskey, T. N., J. H. Seinfeld, F. Gelbard, and  L. E. Reid.  1976.
     "Continued Research in Mesoscale Air Pollution Simulation Modeliny--
     Volume VII:  Mathematical Modeling of Urban  Aeosol  Dynamics."
     Systems Applications,  Inc., San Rafael, CA  (Publication 76-144).

Killus, J. P., J. P. Meyer, D. R. Durran, G. E.  Anderson, T. N. Jerskey,
     G. Z. Whitten, and S. D. Reynolds.  1977.   "Continued Research  in
     Mesoscale Air Pollution Simulation Modeling—Volume  V:  Refinements
     in Numerical Analysis, Transport, Chemistry, and Pollutant
     Removal."  Systems Applications, Inc., San  Rafael,  CA (Publication
     77-142).

Lamb, R. G.  1976.  "Continued Research In Mesoscale Air  Pollution
     Simulation Model ing--Volume II:  Modeling of Miscroscale
     Phenomena."  Systems Applications, Inc., San Rafael, CA (EPA-6UO/4-
     76-061C).

Lamb, R. G., W. H. Chen, and J. H. Seinfeld.  1975.  Numerico-empirical
     analyses of atmospheric diffusion theories.  J. Atmos. Sci., 32:1794-
     1807.

Lamb, R. G., W. R. Shu, D. R. Durran, J. H. Seinfeld, and L. E. Reid.
     1977.  "Continued Research In Mesoscale Air  Pollution Simulation
     Modelings-Volume VI:  Further Studies in the Modeling of Microscale
     Phenomena."  Systems Applications, Inc., San Rafael, CA (Publication
     77-143).

                                    R-2

-------
Liu, M. K., T. N. Jerskey, J. P. Meyer, d. Ames, and G. W. Lundberg.
     1977.  "Application of a Methodology for the Design of a Carbon
     Monoxide Monitoring Network at Las Vegas."  Systems Applications,
     Inc., San Rafael, CA (SAI 77-16; EPA-600/4-78-053).

Liu, M. K., and J. H. Seinfeld.  1975.  On the validity of grid and
     trajectory models of urban air pollution.  Atmos. Environ., 9:555-
     574.

Liu, M. K., D. C. Whitney, S.D. Reynolds, and P. M. Roth.  1973.  "Further
     Development and Evaluation of a Simulation Model  for Estimating
     Ground Level Concentrations of Photochemical Pollutants—Volume
     III:  Automation of Meteorological and Air Quality Data for the SAI
     Urban Airshed Model."  Systems Applications, Inc., San Rafael, CA
     (SAI 73-32).

Liu, M. K., D. C. Whitney, and P. M. Roth.  1976b.  Effects of atmospheric
     parameters on the concentration of photochemical  pollutants.  J.
     Appl. Meteorol.. 15:829-835.

Liu, M. K, D. C. Whitney, J. H. Seinfeld, and P. M. Roth.  1976a.
     "Continued Research in Mesoscale Air Pollution Simulation Modeling--
     Volume I:  Assessment of Prior Model Evaluation Studies and Analysis
     of Model Validity and Sensitivity."  Systems Applications, Inc., San
     Rafael, CA. (SAI 75-23; EPA-600/4-76-016a).

Reynolds, S. D.  1977.  "The Systems Applications, Incorporated Urban
     Airshed Model:  An Overview of Recent Developmental Work."
     International Conference on Photochemical Oxidant Pollution and Its
     Control, Systems Applications, Inc., San Rafael,  CA (EPA-600/3-77-
     OOlb).
81*033                               R-3

-------
Reynolds, S, D., J. Ames, T. A. Hecht, J. P. Meyer, D. C. Whitney, and M.
     A. Yocke.  1976.  "Continued Research in Mesoscale Air Pollution
     Simulation Modeling—Volume II:  Refinements in the Treatments of
     Chemistry, Meterorology, and Numerical Integration Procedures."
     Systems Applications, Inc., San Rafael, CA (SAI 75-24R; EPA-600/4-76-
     016b).

Reynolds, S. D., J. Ames, 6. W. Lundberg, and P. V. Munkur.  1978.
     "Application of the SAI Airshed Model to the Evaluation of
     Alternative Population Growth Forecasts for the South Coast Air
     Basin."  Systems Applications, Inc., San Rafael, CA (Publication 78-
     124).

Reynolds, S. D., H. Hogo, W. R. Oliver, and L. E. Reid.  1982.
     "Application of the SAI Airshed Model to the Tulsa Metropolitan
     Area.  Systems Applications, Inc., San Rafael, CA (SYSAPP-82/004).

Reynolds, S. D., M. K. Liu, T. A. Hecht, P. M. Roth, and J. H. Seinfeld.
     1973a.  "Further Development and Validation of a Simulation Model for
     Estimating Ground Level  Concentrations of Photochemical
     Pollutants."  Systems Applications, Inc., San Rafael, CA (Publication
     73-19).

Reynolds, S. D., M. K. Liu, T. A. Hecht, P. M. Roth, and J. H. Seinfeld.
     1974.  Mathematical  modeling of photochemical air pollution--!!!.
     Evaluation of the model.  Atmos. Environ., 8:563-596.

Reynolds, S. D., L. Reid, M. Hi!Iyer, J. P. Killus, T. W. Tesche, R. I.
     Pollack, G. E. Anderson, and J. Ames.  1979.  "Photochemical Modeling
     of Transportation Control Strategies—Volume I.  Model Development,
     Performance Evaluation, and Strategy Assessment."  Systems
     Applications, Inc.,  San Rafael, CA (Publication 79-37R).
8U033                               R-4

-------
Reynolds, S. D., P. M. Roth, and J. H. Seinfeld.  1973b.  Mathematical
     modeling of photochemical  air pollution—I.  Formulation of the
     model.  Atmos. Environ., 7:1033-1061.

Reynolds, S. D., and J. H. Seinfeld.  1975.  Interim evaluation of
     strategies for meeting ambient air quality standards for
     photochemical  oxidant.  Environ. Sci. Technol., 9:433-447.

Roth, P. M., S. D.  Reynolds, P.J.W. Roberts, J. H. Seinfeld,, T. A. Hecht,
     and C. L. Nelson.  1971.  "Development of A Simulation Model for
     Estimating Ground Level Concentrations of Photochemical
     Pollutants."  Systems Applications, Inc., San Rafael, CA.

Roth, P. M., S. D.  Reynolds, T.W. Tesche,, P. D. Gutfreund, and C.
     Seigneur.  1984.  An appraisal of emissions control requirements in
     the California South Coast Air Basin.  Environ. Int., 9:549-571.

Roth, P. M., P.J.W. Roberts, M. K. Liu, S. D. Reynolds, and J. H.
     Seinfeld.  1974.  Mathematical modeling of photochemical air
     pollution—II.  A model and inventory of pollutant emissions.  Atmos.
     Environ., 8:97-130.

Seigneur, C. S., T. W. Tesche,  D. A. Stewart, M. K. Liu, P. M. Roth, and
     W. R. Oliver.   1983.  Effect of Power Plant Emissions of MOX on Uzone
     Levels in Three Different  Environments."  Systems Applications,  Inc.,
     San Rafael, CA (SYSAPP-83/023).

Souten, D. R., T. W. Tesche, and W. R. Oliver.  1981.  "Use of the Airshed
     Grid Model to  Evaluate the Air Quality Impacts of Alternative Air
     Pollution Control Policies on the South Coast Air Basin."  Systems
     Applications,  Inc., San Rafael, CA  (SYSAPP-80/220).
8"t033

-------
Stern, R., and B. Schere.  1982.  "Simulation of a  Photochemical  Smog
     Episode in the Rhine-Ruhr Area with a Three-Dimensional  Grid
     Model."  Presented at the 13th International Technical  Meeting  on  Air
     Pollution and Its Application, 14-17 September 1982,  He des  Embiez,
     France.

Tesche, T. W., and C. S. Burton.  1978.  "Simulated Impact of Alternative
     Emissions Controls Strategies on Photochemical  Oxidants  in  Los
     Angeles."  Systems Applications, Inc.,  San Rafael,  CA (Publication
     78-22R).

Tesche, T. W., W. R. Oliver, and J. L. Haney.  1982.   "Photochemical
     Modeling of the SCE Ivanpah Generating  Station."   Systems
     Applications, Inc., San Rafael, CA (SYSAPP-82/212).

Tesche, T. W., W. R. Oliver, H. Hogo, P. Saxena, and J.  L. Haney.
     1983a.  "Assessment of NOX Emission Control Requirements in the
     California South Coast Air Basin, Volume IV, Appendix A:  Performance
     Evaluation of the Systems Applications  Airshed Model for the  26-27
     June 1974 03 Episode in the South Coast Air Basin."  Systems
     Applications, Inc., San Rafael, CA (SYSAPP-83/037).

Tesche T. W., W. R. Oliver, H. Hogo, P. Saxena, and J.  L. Haney.   1983b.
     "Assessment of NOX Emission Control Requirements  in the  California
     South Coast Air Basin, Volume IV, Appendix B:   Performance  Evaluation
     of the Systems Applications Airshed Model for  the  7-8 November  1978
     N02 Episode in the South Coast Air Basin."  San Rafael,  CA   (SYSAPP-
     83/038).

Tesche, T. W., C. Seigneur, L. E. Reid, P. M. Roth,  W,  R. Oliver,  and J.
     C. Cassmassi.  1981.  "Sensitivity of Complex  Photochemical Model
     Estimates to Detail in Input Information."  System  Applications, Inc.
     San Rafael, CA (SAI 81-5).
8«*033                               R-6

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Whitten, 6. Z., and H. Hogo,  1977.  "Mathematical Modeling of  Simulated
     Photochemical Smog."  Systems Applications,  Inc., San Rafael,  CA
     (EPA-600/3-77-001).
                     *

Whitten, 6. Z., H. Hogo, and J. P. Killus.  1980.  The Carbon-Bond
     Mechanism:  A condensed kinetic mechanism for photochemical  smog.
     Environ. Sci. Technol., 14:690-700.
84033                               R-7

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                                   TECHNICAL REPORT DATA
                            (Please read Instructions on the reverse before completing)
1. REPORT NO.
                             2.
                                                           3. RECIPIENT'S ACCESSION NO.
4. TITLE AND SUBTITLE

 SAI AIRSHED MODEL OPERATIONS MANUALS
 Volume I — User's Manual
                                                           5. REPORT DATE
             6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
 J.  Ames, T.C. Myers,  L.E.  Reid, D.C. Whitney,
 S.H. Golding, S.R. Hayes,  S.D.  Reynolds
                                                           8. PERFORMING ORGANIZATION REPORT NO.
               EM78-89R2
9. PERFORMING ORGANIZATION NAME AND AOORESS
 Systems Applications,  Inc.
 101 Lucas Valley Road
 San Rafael, CA  94903
             10. PROGRAM ELEMENT NO.
               CDWA1A/01-5006 (FY-85)
             11. CONTRACT/GRANT NO.

               Contract No.  68-02-2429
12. SPONSORING AGENCY NAME AND ADDRESS
 Atmospheric Sciences  Research Laboratory -- RTP,  NC
 Office of Research and  Development
 U.S. Environmental Protection Agency
 Research Triangle Park,  North Carolina  27711
             13. TYPE OF REPORT AND PERIOD COVERED
                             (8/76 - 9/79)
             14. SPONSORING AGENCY CODE

               EPA/600/09
15. SUPPLEMENTARY NOTES
16. ABSTRACT
      This report  presents  a  general   view of  the  Systems Applications,  Inc.  (SAI)
 Airshed Model  as  well   as  detailed  operating  instructions  for  the user.   Included
 are discussions  of  all  the  files  needed  to  run  the model,  the  data  preparation
 programs that  produce  each  file,  the  input  formats  and data  preparation  methods,
 sampl es of  input  and  output,  and  information   flow  diagrams  that  illustrate  the
 job stream  control  on   any  computer.   Chapter II  presents  a  technical  summary  of
 the SAI Airshed Model;  Chapter  III  contains  an  overview of  the model  as  a  system
 of computer  programs,  outlining  the  five  main  function's  that  must  be  performed
 by users  and  programs   together.   Chapter  IV discusses  some of  the  concepts  and
 terms basic  to an  understanding  of the  system,  followed  in  Chapter  V by  descrip-
 tions of  the  job  control   notations   that will   be  used  throughout  this  manual.
 Chapters VI  through  XI  examine  in  detail  the five main  functions of the  system,
 providing input  and  output  definitions  and  examples,   and  job  control  diagrams
 for each program that must be exercised.
17.
                                KEY WORDS AND DOCUMENT ANALYSIS
                  DESCRIPTORS
b.lDENTIFIERS/OPEN ENDED TERMS  C. COSATI Field/Group
18. DISTRIBUTION STATEMENT
                                              19. SECURITY CLASS (This Report>
                                                     UNCLASSIFIED
                                                                         21. NO. OF PAGES
             RELEASE  TO  PUBLIC
                                              20. SECURITY CLASS/Tins page,
       1ITY CLASS (Tins pag
       UNCLASSIFIE6
                                                                         22. PRICE
EPA Form 2220-1 (R«v. 4-77)   PREVIOUS EDITION is OBSOLETE

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