United States
Environmental Protection
Agency
Air and Energy Engineering
Research Laboratory
Research Triangle Park NC 27711 /
Research and Development
EPA/600/S9-89/047 Dec. 1989
v°/EPA Project Summary
Flexible Regional Emissions
Data System (FREDS)
Documentation for the 1985
NAPAP Emissions Inventory
Lysa G. Modica, Daniel R. Dulleba, Robert A. Walters, and John E. Langstaff
The Flexible Regional Emissions
Data System (FREDS) is a modular
software system that takes the
NAPAP annual point and area source
emissions inventories and derives a
resolved emissions data base
suitable for input to atmospheric
pollution simulation models, such as
the Regional Acid Deposition Model
(RADM). The primary functions of
FREDS are to resolve annual
emissions to hourly values, to
apportion county-level area source
emissions to grid cells, and to
perform speciatlon of selected
pollutants into user-defined species
classes. FREDS consists of seven
primary modules written in SAS* and
Fortran which perform the tasks of
extraction of desired data from the
annual inventories, 'temporal and
spatial allocation, speclation,
conversion to modeling format and
quality control of the flow of data
through the system. The order in
which the allocation and speclation
modules are to be executed is
flexible, and not all of these modules
must be executed, allowing for
different applications and desired
formats. The user can specify the
parameters of execution and define
the allocation and speciation both
geographically and by source type by
means of control options files and
allocation factor files. FREDS was
first designed and used to process
the 1980 NAPAP emissions inven-
tories, and has been significantly
enhanced for processing the 1985
NAPAP emissions inventories. The
flexible design of FREDS ensures that
it will be a useful system for
processing other emissions Inven-
tories for modeling applications.
This Project Summary was
developed by EPA'a Air and Energy
Engineering Research Laboratory,
Research Triangle Park, NC, to
announce key findings of the research
project that Is fully documented In a
separate report of the same title (see
Project Report ordering Information at
back).
Background
The National Acid Precipitation
Assessment Program (NAPAP) was
established by Congress in 1980 to
coordinate and expand research on
problems posed by acid deposition in
and around the U.S. The program is
managed through the Interagency Task
Force on Acid Precipitation which
currently coordinates seven task groups
having specific technical responsibilities.
The Task Group on Emissions and
Controls is charged with development of
comprehensive and accurate inventories
of emissions from anthropogenic sources
thought to be important in acid deposition
processes. To fulfill its objective and to
support other related NAPAP research,
the Task Group on Emissions and
Controls is generating a number of major
emissions data bases using 1980 and
1985 as base years.
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The primary focus of the NAPAP
inventories is the fulfillment of the
emissions data requirements for applica-
tion of the Eulerian Regional Acid Dep-
osition Model (RADM). In addition,
emissions data are used to support appli-
cations of other regional models including
the Regional Oxidant Model (ROM). To
support development and testing of these
models, the 1985 NAPAP annual inven-
tory must be resolved temporally,
spatially, and by component species. The
temporal, spatial, and species resolution
of the annual and resolved emissions
data bases are summarized in Table 1.
For RADM, annual emissions are re-
quired at the hourly level for a typical
weekday, Saturday, and Sunday in each
season (12 temporal scenarios); county-
level area sources and major and minor
point sources must be spatially resolved
to modeling grid cells; TSP emissions are
assigned to species and size classes;
NOX emissions are split into
and
HC>2 constituents; and VOC emissions
are apportioned into approximately 30
photochemical reactivity classes. The
Flexible Regional Emissions Data System
(FREDS) was created to meet these
needs.
FREDS was originally developed for
the processing of the 1980 NAPAP Emis-
sions Inventory. To meet the needs of the
1985 inventory, several significant en-
hancements to the FREDS software were
undertaken. Some of these changes were
necessary to accommodate new and/or
expanded data requirements, particularly
in the area of hydrocarbon and participate
speciation; other modifications and addi-
tions were identified as desirable as a
result of experience with the 1 980 inven-
tory. These enhancements ensure that
FREDS will continue to be a valuable tool
for future applications.
The primary objectives of this effort
are to document the FREDS software
used to process the 1 985 NAPAP Annual
Emissions Inventory and to provide the
user with the necessary specifications for
execution of FREDS modules. Input/ out-
put formats are also supplied for all files
based on the order of module execution
for RADM modeling inventory develop-
ment.
FREDS Overview
FREDS is a modular software sys-
tem that extracts pertinent modeling
parameters from annual emissions inven-
tories and applies spatial, temporal, and
pollutant species allocation factors in
order to create a resolved emissions
inventory suitable for use as model input
to Eulerian regional models. Written in
SAS and Fortran, FREDS consists of
seven primary subsystems:
• The Hydrocarbon Preprocessor
(HCPREP) is used to interconvert be-
tween total hydrocarbons (THC) and
nonmethane volatile organic com-
pounds (VOC), providing a consistent
basis for hydrocarbon emissions est-
mates. It also compensates for the
lack of aldehydes in AP-42 emission
factors calculated using flame ioniza-
tion detection (FID).
• The Model Data Extraction Module
(MDEM) reads an annual point or area
source emissions file, condenses it by
retaining only pertinent modeling
parameters, and produces a file suit-
able for processing through the rest of
FREDS. MDEM can also produce
industry-specific subfiles, and sepa-
rate "major" and "minor" point
sources if specified by the user.
• The Temporal Allocation Module
(TAM) accepts a FREDS-compatible
file as input, and applies seasonal,
daily, and hourly allocation factors to
annual emissions records. For point
sources, TAM can construct these fac-
tors from NEDS operating rate data if
a profile is not provided for the source.
TAM also offsets all temporal data to
Greenwich Mean Time (GMT).
• The Speciation Module (SM) accepts
SAS-formatted emissions files and
merges them with hydrocarbon and
NOX speciation factors generated by
the Pollutant Splits System (PSPLIT)
and/or factors in a Speciation Factor
File, such as particulate alkalinity and
size classes. Users may, by manipu-
lating the input files, speciate any of
the annual pollutants into as many as
32 classes.
• The Spatial Allocation Module (SAM)
matches and merges area source
emissions with spatial allocation fac-
tors, enabling the emissions to be
assigned to modeling grid cells. Point
sources are assigned to grids based
on latitude/longitude or UTM coordin-
ates, while area source emissions are
apportioned on a county basis to grids
according to known distributions of
surrogate spatial indicators.
• The Model Input Preprocessor (MIP)
combines the resolved emissions files,
sorts the resulting data set, and pro-
duces a point or point or area source
modeler's tape in either SAS or
EBCDIC format. For point sources, the
MIP output consists of an emissions
file with allocation factors assigned to
each source. Due to space consid-
erations, area source MIP output is a
gridded, hourly emission file for one
user-specified temporal scenario.
• The Quality Control Module (QCM)
accepts FREDS-compatible files at
any stage of processing and compares
national, state,and source category
emissions totals to baseline emissions
totals input to FREDS, supplementing
the diagnostic checks carried out
within the other modules. QCM also
ensures that the point source temporal
allocation fractions sum to unity within
user-specified tolerances.
Figure 1 is a simplified diagram of
FREDS processing for the 1985 NAPAP
Emissions Inventory, illustrating the
interrelationship of the various major
components. National Emissions Data
System (NEDS) data provide the basis
for the NAPAP point and area source
emissions estimates for criteria pol-
lutants; emissions data for noncriteria pol-
lutants were developed by EPA's Air and
Energy Engineering Research Laboratory
(AEERL). Hydrocarbon emissions are
adjusted to a consistent basis using
HCPREP; the resulting files represent the
NAPAP Annual Inventory. Resolution of
emissions is provided in the three alloca-
tion modules (SM, SAM, and TAM); these
can be run in any order but must be
preceded by MDEM, and MIP must be
the last module executed. Output data
sets from any module can be routed
through QCM to ensure that emissions
totals are not being altered during the
resolution process. While the primary
function of FREDS is to fulfill the date
requirements for RADM development and
testing, the design of the system allows
sufficient flexibility for a variety o
applications. FREDS allows user defini
tion of the pollutants to be processed
and the user can readily vary tempora
factor data, the extent and origin of the
spatial grid and the grid cell size, and the
number and relationship of pollutant sub
species. Each module also utilizes <
control options file to pass job param
eters to the program, which can bi
adapted to suit individual data needs.
Report Organization
The documentation of FREDS i
structured in accordance with EPA'
automated data processing standard
and consists of:
Introduction
System Charts
Detailed Program Description
Input/Output Format Description
Control Statements
Operating Instructions
Environment
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Table 1.
1985 NAPAP Emissions Inventory Coverage.
Annual Emissions Inventory
Regional Modeling Emissions Inventory
Anthropogenic point sources Stationary sources emitting greater than or equal to 100 tons of criteria pollutants in 1985
Anthropogenic area sources County-level area sources and stationary sources emitting less than 100 tons of criteria pollutants in 1985
Natural area sources
Geographic domain
Pollutants
Temporal resolution
Spatial resolution
Emissions of sulfur compounds, nitrogen compounds, hydrocarbon species and ammonia from biogenic and
geophysical processes; TSP from natural sources
The 48 contiguous states and part of Canada
SO2, SO* CO, TSP, HCI,
HF, NOX, WHg, VOC, THC
Annual
SO2, SO* CO, TSP (reactive Ca, Mg, K, A/a: 0-2.5 inn, 2.5-
10 urn, and total; TSP: 0-2.5, 2.5-6, and 6-10 pm), HCI, HF,
NO, NO2, NHz VOC, THC, 30 VOC species classes
Hourly emissions values for typical weekday, Saturday, and
Sunday for all four seasons
Point source locations specified by latitude and Point and area sources assigned to grid cells 1/6" latitude
longitude; area sources at the county level by 1/4" longitude (approximately 20 x 20 km)
• Example Speciation Module Run and
Description
t Conclusion
FREDS software provides versatile
and powerful computer programs to
allocate emission inventory data into
various levels of spatial, temporal, and
species resolution. The system was used
successfully in a first of a kind application
to process the 1980 NAPAP Emissions
Inventory to support the specific require-
ments of acid deposition and photo-
chemical oxidant atmospheric models.
For use with the 1985 NAPAP emissions
data base, several enhancements and
modifications were implemented to allow
for new and expanded data requirements,
to improve processing efficiency, and to
provide higher quality output data. The
successful completion of these modifi-
cations will facilitate the processing of the
1985 NAPAP Emissions Inventory in a
timely and cost-effective manner while
maintaining maximum flexibility for
specialized applications.
•&U S. GOVERNMENT PRINTING OFFICE 19RQ / IL. R-n i -> In 11 a *
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f 985 Annual Point Source Emissions
1985 Annual Area Source Emissions
Hydrocarbon adjustment
factors
*• Hydrocarbon Preprocessor (HCPREP)
I
)985 NAPAP Annual Emissions Inventory
i
Model Data Extraction Module (MDEM)
Speciation factors for TSP, NOX, hydrocarbons
Spatial allocation factors
Temporal allocation factors
Speciation Module (SM)
±
Spatial Allocation Module (SAM)
Temporal Allocation Module (TAM)
Model Input Preprocessor (MtP)
J985 NAPAP Regional Modeling Emissions Inventory (Modeler's Tapes)-
Figure 1. Simplified diagram of FREDS processing.
Quality Control
Module
(OCM)
Diagnostic/QC
report, FREDS
intermediate
file
Lysa G. Modica, Daniel R. Dulleba, Robert A. Walters, and John E. Langstaff are with Alliance Technologies
Corp., Bedford, MA 01730.
Robert C. Lagemann is the EPA Project Officer (see below).
The complete report consists of tape and paper copy, entitled "Flexible Regional Emissions Data System
(FREDS) Documentation for the 1985 NAPAP Emissions Inventory:"
Paper Copy (Order No. PB 89-198 816/AS; Cost: $42.95)
Magnetic Tape (Order No. PB 89-224 174/AS; Cost: $1125.00, cost of magnetic tape includes paper copy)
The above documents will be available only from: (costs subject to change)
National Technical Information Service
5285 Port Royal Road
Springfield, VA22161
Telephone: 703-487-4650
The EPA Project Officer can be contacted at:
Air and Energy Engineering Research Laboratory
U.S. Environmental Protection Agency
Research Triangle Park, NC 27711
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EPA/600/S9-89/047
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