United States
Environmental Protection
Agency
Office of Air Quality
Planning and Standards
Research Triangle Park, NC 27711
EPA-450/4-92-009
May 1992
&EPA
GUIDE FOR USING THE
EMPIRICAL KINETICS
MODELING APPROACH
INTERFACE (EKMAI)
-------
-------
GUIDE FOR USING THE l
EMPIRICAL KINETICS MODELING APPROACH INTERFACE (EKMAI)
U.S. Environmental Protection Agency
Office of Air Quality Planning and Standards
Technical Support Division
Source Receptor Analysis Branch
Research Triangle Park, NC 27711
May 1992
-------
Notice
This report has been reviewed and approved for publication by the
Office Of Air Quality Planning and Standards, U.S. Environmental
Protection Agency. Mention herein of trade names or commercial
products does not constitute endorsement or recommendation for
use.
Acknowledgements
The Empirical Kinetics Modeling Approach Interface (EKMAI)
software was developed under contract by Computer Sciences
Corporation.
11
-------
CONTENTS
1. INTRODUCTION.
2. OVERVIEW.
3. USING THE EKMAI SYSTEM 7
REFERENCES
,19
ill
-------
IV
-------
1. INTRODUCTION
The Empirical Kinetics Modeling Approach (EKMA)1"4 has been
used since the early 1980s to estimate emission reductions that
are needed to achieve the ozone National Ambient Air Quality
Standard (NAAQS). The 1990 Clean Air Act Amendments generally
require that moderate and more severely polluted ozone
nonattainment areas demonstrate that their proposed control
strategies will be sufficient to attain the NAAQS for ozone by
1996. For moderate nonattainment areas contained solely in one
state, the Environmental Protection Agency (EPA) Has designated
EKMA as one acceptable modeling technique which may be used to
make this demonstration.5 AS a result, several moderate
intrastate areas across the country plan to include EKMA modeling
as part of their state Implementation Plan (SIP).
One of the problems with using EKMA in the past has been
difficulty in specifying current boundary conditions and
projecting these to future years. Boundary conditions in EKMA
are defined as concentrations of ozone precursors aloft.
Recently, the Regional Oxidant Model (ROM) has become
operational. ROM is a photochemical grid model which is used to
simulate regional scale control strategies applied to current or
future years. Results of ROM simulations are being made
available to state agencies,6 where they may be used to specify
present and projected boundary conditions for EKMA. The purpose
of the EKMA Interface (EKMAI) software described in this guide is
to provide a means by which stored ROM results may be accessed
and made suitable for use with EKMA. In particular, the EKMAI
program provides aloft concentrations of ozone (O3), carbon
monoxide (CO), nitrogen oxides (NOx), and nonmethane organic
compounds (NMOC) for input to the EKMA model. !
This guide provides the user with the information necessary
-------
1
to run the EKMAI program. Section 2 gives an overview of the
workings of EKMAI, and Section 3 walks the user through an
example. In order for the user to understand how to access and
process the ROM data for use with EKMAI, it is essential to refer
to Chapter 4 of the Gridded Model Information Support System
(GMISS) User's Guide Volume III7 concurrently with this guide.
-------
2. OVERVIEW
EKMAI uses gridded hourly species concentration data from
previously run ROM simulations. The ROM data are currently
stored in a database management system called the Gridded Model
Information Support System (GMISS), and may be retrieved using
the GMISS Model Concentration Data Retrieval Subsystem.
i
Accessing the Model Concentration Data Retrieval Subsystem
to extract the desired data is the first step in using EKMAI.
Directions for using the Retrieval Subsystem are provided in the
GMISS User's Guide Volume III: Model Concentration Data
Retrieval Subsystem (EPS-450/4-91-032)7. The Retrieval Subsystem
should be used in conjunction with this EKMAI guide. It may be
followed as written except for a few changes necessary for the
specific case of retrieving data for EKMAI, which are explained
in this guide.
i
The retrieval process begins with the extraction of data for
a subdomain of the chosen ROM domain. The subdomain recommended
for running EKMAI is an square array of 9 ROM grid cells (3
columns by 3 rows) or 25 ROM grid cells (5 columns by 5 rows)
which covers the urban area to be modeled. The array is defined
so that the center of the urban area is located, somewhere in the
center grid cell of the array. A ROM grid cell is 1/4° longitude
by 1/6° latitude, or approximately 18.5 km by 18.5 km. A ROM
domain and a 9 cell EKMAI subdomain covering parts of New York
City are illustrated in Figure 1.
!
Using the GMISS Model Concentration Data Retrieval
Subsystem, the user may choose to extract concentration data from
any combination of Domains, studies, Scenarios, and Dates from
previously run ROM simulations as long as those data are in the
subsystem and publicly available.
-------
ff 33.00°'.:::: • • •: •"£"•'
::':
1. ROM Domain with a 9 Cell EKHAI Subdomain
When prompted for a ROM layer to extract from and which
species to choose, however, the user is required by EKMAI to
select layer 2 (aloft values) and the following 13 species:
ALD2, CO, ETH, FORM, ISOP, NO, NONR, NO2, OLE, O3, PAR, TOL, and
XYL.
When data retrieval is complete, the Model Concentration
Data Retrieval Subsystem outputs an IBM ASCII formatted file with
members INFO and DATA. INFO is a summary of the criteria used in
creating the retrieval file, and DATA contains the hourly
-------
concentrations for each species. The retrieval file serves as
the input to the EKMAI program.
EKMAI resides on the IBM NCC Mainframe computer. It is
accessed at the Time Sharing Option (TSO) "READY" prompt with the
following command: ekmai. The screen which appears prompts for
the name of the file produced by the GMISS Model Concentration
Data Retrieval Subsystem, a bin number, and a print destination.
EKMAI takes the concentrations of each species in each grid
cell and averages them over the three morning hours beginning at
8 am. This creates one value (a three hour averagre) for each
species in each grid cell. An average value for each species is
then calculated for the array as a whole by summing the value in
each grid cell and dividing by 9 or 25 depending number of grid
cells in the array. Finally, values for NMOC are calculated by
multiplying the required organic species by their carbon numbers
(i.e., the number of carbon atoms per molecule)1 and summing.
i
' 9
The output of EKMAI is a system output report which contains
a list of concentrations aloft for O3, CO, and NOx in ppm and
NMOC in ppmc which may be used as input boundary conditions for
the EKMA model.
-------
-------
3. USING THE EKMAI SYSTEM
I
This section provides an example for using EKMAI. The first
part describes the method for using the GMISS Model Concentration
Data Retrieval Subsystem to retrieve the data that EKMAI
requires. The second part shows how to run EKMAI itself.
3.1 DATA RETRIEVAL
The example presented here follows the TUTORIAL provided in
Chapter 4 of the Model Concentration Data Retrieval Subsystem in
several ways, such as selecting the same Domain, Study, two
Scenarios, and one Date for each scenario. It departs from the
TUTORIAL, however, when it is necessary to specify the particular
parameters required for running EKMAI. These are:; a subdomain
which is an array of 9 or 25 ROM grid cells with the center of
the urban area located somewhere in the center grid cell, 13
specific chemical species, model layer 2, and the specific
retrieval options "interactive" and "sequential". All of these
are explained in detail in the example below.
Defining a Subdomain Array
To begin, follow the example in the Model Concentration Data
Retrieval Subsystem TUTORIAL until you arrive at screen 3.1.
(The screen number is located in the upper left corner of each
menu). Your screen should look like Figure 2. Note that the
screen shows ROMNET1 as the chosen ROM domain and that the
column/row and longitude/latitude dimensions of this domain are
displayed.
•*•' i.
Screen 3.1 can be used in a special way to define the
subdomain of ROMNET1 that EKMAI needs, which is an array of 9 or
25 ROM grid cells which overlay the EKMA urban area. The center
grid cell of the array will contain the point that is the center
-------
of the urban area. Figure 3 is a schematic of the grid cell
arrays.
+3.1-
GMISS: Retrieve Model Concentration Data
Select Domain »"«* Subdomain
Specify the modeling domain for which you want to retrieve data,
then press ENTER. To see a list of domains, enter "?".
Domain: ROMNET1
— Subdomain —
Enter column-row or longitude-latitude ranges to define a rectangular
subdomain. Erase (leave blank) all fields to select the entire domain.
West-to-East
Dimension
South-to-North
Dimension
Columns:
Rows:
64
52
I
85 00
Longitude:
36" 20
Latitude:
dd:nvn
69 00
45 00
dd:mm
PF3/PF15 = Return to main menu
Figure 2. Screen for, Defining a Subdomain Array
9 CELL ARRAY
25 CELL ARRAY
Figure 3. ROM Subdomain Arrays of 9 and 25 Cells
8
-------
Suppose you will use EKMA to model New York City with the
center of the urban area located at 74°00' longitude and 41°00'
latitude. Enter the coordinates in screen 3.1. The screen
should look like Figure 4. Press the ENTER key.
+3.1-
I
I
GMISS: Retrieve Model Concentration Data
Select Domain and Subdomain
Specify the modeling domain for which you want to retrieve data,
then press ENTER. To see a list of domains, enter "?".
Domain: ROMNET1
— Subdomain —
Enter column-row or longitude-latitude ranges to define a. rectangular
subdoniain. Erase (leave blank) all fields to-select the entire domain.
West-to-East
Dimension
South-to-North
Dimension
Columns:
Rows:
64
52
85 00 69 00
Longitude: 74 00 _
Latitude:
36 20 45 00
41 00 _
dd: mm dd:mm
PF3/PF15 = Return to main menu
Figure 4. Entering Coordinates of Urbain Center
Given a longitude and latitude, GMISS will fill in the
corresponding column and row of the grid cell which contains that
point. Your screen should now resemble Figure 5. Notice that
the coordinates for the domain dimensions were carried through.
Disregard these and concentrate only on the calculated column and
row of the center cell, in this case column 45 and row 29.
-------
+3.1-
GMISS: Retrieve Model Concentration Data
Select Domain and Subdomain
Specify the modeling domain for which you want to retrieve data,
then press ENTER. To see a list of domains, enter •?•.
Press ENTER to accept current values or sake necessary changes.
Domain: ROMNET1
— Subdomain —
Enter column-row or longitude-latitude ranges to define a rectangular'
subdomain. Erase (leave blank) all fields to select the entire domain.
West-to-East
Dimension
Columns :
64 I
64 | Longitude:
85 00 69 00
74 00 - 69 00
South-to-NortE
Dimension
Rows : (29}
PF3/PF15 =
52
- 52
Return
1
1 Latitude:
to main- menu
36 20
41 00 _
dd:mm
45 00
45 00
ddrmm
Figure 5. Column and Row of Array Center Cell
Now that you know the center grid cell of the array, you can
use its coordinates to determine the dimensions of the whole
subdomain array. Say for your New York example that you decide
to extract data over the 9 grid cell array. As illustrated in
Figure 6, you need to subtract and add 1 to the column number 45
to get the West-to-East Dimension of the array (44-46). Then
subtract and add 1 to the row number 29 to get the South-to-North
Dimension (28-30). (If you had chosen the array of 25 grid
cells, you simply would have added and subtracted 2 from the
center column and row to get the array dimensions.)
Now type the column and row dimensions of the 9 cell array
into screen 3.1 as shown in Figure 7. Note that longitude and
latitude will be overridden by the column and row coordinates,
and longitude and latitude will be recalculated. Press the ENTER
key.
10
-------
N
S,W
(44,30)
(44,29)
(44,28)
(45,30)
•
(45,29)
(45,28)
(46,30)
(46,29)
(46,28)
Figure 6. Calculating the Array Dimensions
+3.1-
GMISS: Retrieve Model Concentration Data
Select Domain and Subdomain
Specify the modeling domain for which you want to retrieve data,
then press ENTER. To see a list of domains, enter •"?".
Press ENTER to accept (current values or sake necusssury changes.
Domain: ROMNET1
— Subdomain —
Enter column-row or longitude-latitude ranges to define a rectangular
subdomain. Erase (leave blank) all fields to select the entire domain.
West-to-East
Dimension
South-to-North
Dimension
Columns:
1
44
Rows: 28 -
64
46
52
30
I 85 00 69 00
I Longitude: 74 00 - _69 00
I
36 20
41 00
dd:mm
Latitude: f_l 00 - 45 00
45 00
45 00
dd:mm
PF3/PF15 = Return to main menu
Figure 7. Entering the Array Column and Row Dimensions
11 ;
-------
Figure 8 shows the final coordinates of the 9 grid cell
array over which the concentration data will be extracted.
+3.1—— • • —~ *
GMISS: Retrieve Model Concentration Data
Select Domain and Subdomain
Specify the modeling domain for which you want to retrieve data,
then press ENTER. To see a list of domains, enter "?".
Press ENTER to accept current values or Bake necessary changes.
Domain: ROMNET1
— Subdomain —
Enter column-row or longitude-latitude ranges to define a rectangular
subdomain. Erase (leave blank) all fields to select the entire domain.
West-to-East • 1 64 I 85 00 69 00
Dimension Columns: 44 - 46 | Longitude: 74 15 - 73 30
I
South-to-North 1 52 I 36 20 45 00
Dimension Rows: 28 _ 30 | Latitude: 40 50 - 41 20
dd:mm dd:mm
PF3/PF15 = Return to main menu
Figure 8. Final Coordinates of the 9 Cell Array
Press the ENTER key. Then continue to follow the TUTORIAL
example for screens 3.2 and 3.3 until you have duplicated its
entries for Domain (ROMNET1), Model (ROM21), Study(ROMNET),
Scenarios (BASE05 and CSOl), and Dates (06/20/83 for BASE05 and
07/04/88 for CSOl).
Note that the TUTORIAL example chooses two emission
scenarios (BASE05 and CSOl). Given this information, EKMAI will
calculate and output the concentrations aloft for each scenario,
one after the other. Up to 5 scenarios (or domains or studies)
may be extracted from the GMISS database and used in one run of
EKMAI. If more than one day is chosen for one scenario, EKMAI
will calculate and output a set of concentrations for each day.
12
-------
Up to 15 days can be extracted and processed for one scenario.
Selecting Species and Layer
At screen 3.4 it is necessary to depart from the TUTORIAL
again because EKMAI requires specific selections. Type an "S"
beside layer 2 and each of the following species: ALD2, CO, ETH,
FORM, ISOP, MO, NONR, NO2, OLE, O3, PAR, TOL, XYL., Your screen
should look like Figure 9. Press the ENTER key.
1-3.4-
GMISS: Retrieve Model Concentration Data
Select Layers and Species
Type "S" beside the model layers and chemical species
you want to select, and press ENTER.
Layers:
_ 1
Species:
S ALD2
_ HN02
_ MTHL
_ N205
S PAR
S 2
s co
_ HNO3
S NO
_ OH
S TOL
_ C203
_ HO2
S NONR
S OLE
_ TRAC
S ETH
_ H202
.S NO2
S 03
_ X02
S FORM
S ISOP
__ NO3
_ PAN
S XYL
PF3/PF15 = Return to previous menu
Figure 9. Selecting Layer 2 and Species
Specify Retrieval Options
At the next screen, 3.5, select "I" for Interactive Data
Retrieval Mode and "Q" for sequential Retrieval File Type for the
purposes of EKMAI. You may specify your own name for the output
file or use the default provided. Either way, write down this
filename because you will need to enter it as input to EKMAI.
Figure 10 shows what this screen should look like., Press the
ENTER key. The retrieval will take place.
13
-------
+3.5-
GMISS: Retrieve Model Concentration Data
Specify Retrieval Options
Supply the requested information and press ENTER.
Data retrieval, mode: I (B=batch, I=interactive)
Retrieval file type: Q (S=SAS, Q=seQuential)
Retrieval file name: 1
fully. qualified, dataset. name. without. quotes
Default file name: UIDACCT..D845554.T347964.CONCRET.SAS
• SEQ
(To use the default, do not specify a retrieval file name.)
PF3/PF15 SB Return to previous menu
Figure 10. Specifying Retrieval Options
Follow the instructions in the TUTORIAL to exit from GMISS,
3.2 RUNNING KKMAI
Having obtained the hourly concentration data for the
required species over a defined subdomain array, you are ready to
run EKMAI. Type the following (in either upper or lower case
letters) at the TSO "READY" prompt: ekmai. Press the ENTER key,
and an introductory screen will appear. Press the ENTER key
again to continue. The EKMAI screen will appear as in Figure 11.
14
-------
ROM/EKMA INTERFACE (EKMAI)
SYSTEM
ENTER GMISS GENERATED INPUT FILE NAME (do NOT use quotes)
ENTER THE FOLLOWING JOB CONTROL INFORMATION:
BIN NUMBER (EX: Bnnn) ==>
PRINT DESTINATION (EX: HOLD, LOCAL, OR RMTnnn) [ ===>
PRESS ENTER TO CONTINUE, OR ENTER Q (PF3) TO QUIT >
F13=HELP F14=SPLIT F15-END F16=RETURN F17=RFIND
F19=UP F20=DOWN F21=SWAP F22=LEFT F23=RIGHT
F18=RCHANGE
F24=RETRIEVE
Figure 11. The EKMAI Screen
Type in the name of the file you created with the GMISS
.Model concentration Data Retrieval Subsystem. \Also type in a bin
number and print destination as prompted. Figure 12 shows a
completed screen.
ROM/EKMA INTERFACE (EKMAI)
SYSTEM
ENTER GMISS GENERATED INPUT FILE NAME (do NOT use quotes):
===> UIDACCT.D845554.T347964.CONCRET.SEQ
ENTER THE FOLLOWING JOB CONTROL INFORMATION:
BIN NUMBER (EX: Bnnn) ===> BO25
PRINT DESTINATION (EX: HOLD, LOCAL, OR RMTnnn) ==> HOLD
PRESS ENTER TO CONTINUE, OR ENTER Q (PF3) TO QUIT ===>
F13=HELP F14=SPLIT F15=END F16=RETURN F17=RFIND F18=RCHANGE
F19=UP F20=DOWN F21=SWAP F22=LEFT F23=RIGHT F24=RETRIEVE
Figure 12. Completed EKMAI Screen.
15
-------
Press the ENTER key and your job will be submitted by EKMAI.
(At this point you may encounter a TSO Interactive System
Productivity Facility (ISPF) screen for specifying the
disposition of the IBM Mainframe log data set. As the screen
directs, you may press the ENTER key to continue or enter the END
command to return to EKMAI. Options are available in ISPF to
prevent the appearance of this screen. If you need assistance
with this or have other ISPF or IBM Mainframe questions, contact
the EPA National Computer Center (NCC) user support at (919) 541-
7862 or (800) 334-2405.)
You will need to use ISPF to view the system output report.
Again, if you need assistance using ISPF contact user support at
the numbers mentioned above. After paging down to the bottom of
the system output report, your output for this example should
look similar to Figure 13. If EKMAI ran without any problems,
the message NORMAL SUCCESSFUL COMPLETION OF PROGRAM will appear,
followed by a set of-aloft concentration values for each set of
requests retrieved from GMISS. Note, for example, that because
you chose two scenarios your output produced a set of values both
scenarios. If you had chosen more than one date in a scenario, a
set of concentrations would have been output for each day. In
any case, you will need to write down the values for O3, CO, NOx.
and NMOC and use them as input boundary values for EKMA.
16
-------
NORMAL SUCCESSFUL COMPLETION OF PROGRAM
FOR THE DOMAIN : ROMNET1
AND THE MODEL VERSION : ROM21
AND THE STUDY : ROMNET
AND THE SCENARIO : BASED5
AND THE DATE : 06/20/83
THESE ARE THE AVERAGED ROM VALUES TO BE USED
AS ALOFT CONCENTRATION INPUTS TO EKMA
O3 : 0.64478E-01 ppm.
CO : 0.20309E+00 ppm.
NOX : 0.20764E-02 ppm.
NHOC : 0.61463E-01 ppmC.
NORMAL SUCCESSFUL COMPLETION OF PROGRAM
FOR THE DOMAIN : ROMNET1
AND THE MODEL VERSION J ROM21
AND THE STUDY : ROMNET
AND THE SCENARIO : CS01
AND THE DATE : 07/04/88
THESE ARE THE AVERAGED ROM VALUES TO BE USED
AS ALOFT CONCENTRATION INPUTS TO EKMA
O3 : 0.46698E-01 ppm.
CO : 0.15224E+00 ppm.
NOX : 0.10245E-03. ppm.
NMOC : 0.43873E-01 ppmC.
Figure 13. Output from EKMAI
17
-------
18
-------
REFERENCES
1. U.S. Environmental Protection Agency, 1989. Procedures for
Applying Citv-Specific EKMAr EPA-450/4-89-012, Office of Air
Quality Planning and Standards, Research Triangle Park, NC.
i
2. U.S. Environmental Protection Agency, 1988. A PC Based
System for Generating EKMA Input Files, EPA-450/4-88-016,
Office of Air Quality Planning and Standards, Research
Triangle Park,. NC. '
3. U.S. Environmental Protection Agency, 1988. User's Manual
for OZIPM-4 (PC Version^ f EPA-450/4-88-016, Office of Air
Quality Planning and Standards, Research Triangle Park, NC.
i
4. U.S. Environmental Protection Agency, 1989.: User/s Manual
for OZIPM-4 fOzone Isppleth Plotting with Optional
Mechanisms) r Volume 1. EPA-450/4-89-009a, Office of Air
Quality Planning and Standards, Research Triangle Park, NC.
i
5. Memorandum from William G. Laxton and John Calcagni to U.S.
EPA Regional Office Air Division Directors, "Subject:
Modeling Requirements Implied by the 1990 Clean Air Act",
(September 18, 1991).
6. Possiel, N.C., R.D. Scheffe, S. Chu, R.A. Wayland, (February
1992), Regional Modeling Protocol, Ozone SIP Development
Support, U.S. Environmental Protection Agency, Office of Air
Quality Planning and Standards, Technical Support Division.
I
7. U.S. Environmental Protection Agency, 1991. Gridded Model
Information Support System fGMTSS) User's Cu-irl^f volume III:
Model Concentration Data Retrieval Subsystem, EPA-450/4-91-
032, Office of Air Quality Planning and Standards, Research
Triangle Park, NC. ;
19
-------
-------
TECHNICAL REPORT DATA
(Please read Instructions on the reverse before completing)
1. REPORT NO.
EPA-450/4-92-009
2.
3. RECIPIENT'S ACCESSION NO.
-------
-------
-------
U.S.EPAQAQPS
RESEARCH TRIANGLE PARK, NC
------- |