United States
Environmental Protection
Agency	
Atmospheric Research and Exposure
Assessment Laboratory
Research Triangle Park NC 27711
Research and Development
 EPA/600/S3-89/057  July 1989
Project  Summary
EPA  Regional  Oxidant  Model
(ROM2.0):  Evaluation on  1980
NEROS Data  Bases
Kenneth L. Schere and Richard A. Wayland
  The second  generation  USEPA
Regional Oxidant Model (ROM2.0) has
been evaluated  for the northeastern
United States using the 1980 NEROS
data  bases. The theoretical basis of
the model and Its structure  and
organization are described. The data
bases available from  the summer
1980  period include routine air quality
and meteorological monitoring data
In addition to  data from  several
extensive field measurement projects
conducted during the  summer of
1980  in  the  northeastern U.S. on
regional  and  urban scales.  Also,  a
complete emissions inventory, com-
posed of anthropogenic and biogenic
components, was  assembled for the
1980  base year  for use in  air quality
modeling. The ROM2.0 evaluation  was
conducted  using quasi-deterministic
and  diagnostic techniques. Strict
temporal and spatial pairing between
observations and predictions was not
used in  the analysis.  Model simu-
lation was conducted during  the
period of July 12 to August 31, 1980.
Model performance over the simu-
lation period  showed an overall 2%
overprediction of  the daily  surface
maximum O3 concentrations. ROM-
predicted concentrations, however,
had a narrower range for ambient O3
with  underestimation  of highest
values and overestimation of lowest
values. The spatial extent and con-
centrations of urban O3 plumes were
generally simulated well, although  a
bias  in the transport direction along
the East  Coast caused  frequent mis-
alignment  of the plumes. Model
performance  analyses using aircraft
data showed the model to under-
predict the regional O3 tropospherlc
burden under episodic conditions,
although individual plumes  were
modeled well.
  This Project Summary was devel-
oped by EPA's Atmospheric Research
and Exposure Assessment Laboratory,
Research Triangle Park, NC,  to  an-
nounce 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).
Introduction
  The initial development of a regional
(-1000 km) air quality simulation model
began  in the late 1970's after  the
realization that photochemical smog often
extended beyond individual urban areas
to entire sections  of the U.S. Interstate
transport of 03 and its precursors  was
observed during field programs of  the
1970's, especially in the Northeastern
U.S.  Long-range transport of O3  and
precursors and multi-day chemical ef-
fects  could not be properly treated by
existing urban-scale  photochemical
models. The need became apparent for
an appropriate simulation  model to  test
the effectiveness of particular emissions
control strategies on O3 concentrations in
urban airsheds as well as region-wide.
  The first generation EPA Regional
Oxidant Model (ROM 1.0) became opera-
tional in 1984. It was a test bed for the
future  production version  of the model,
the second generation  ROM2.0.  The

-------
earlier model  contained a  very con-
densed  chemical  kinetic  mechanism,
could not treat natural hydrocarbons, had
limited treatment of vertical mass flux
induced by clouds, had constant layer
depths, and contained very limited terrain
effects. Nevertheless, ROM1.0 was used
for extensive testing of various emission
control scenarios in  the Northeast U.S.
  ROM2.0 became operational in  1987.
This second generation  version  of the
model was to  become  the  production
version. It included  a more sophisticated,
contemporary  chemical kinetic  mech-
anism capable of  treating  both anthro-
pogenic and natural precursor species.
The ROM2.0 system also corrected most
of the deficiencies  and simplifications  of
the  first  generation  system,  such as
cloud-induced mass flux, variable layer
depths, and terrain  effects. Once opera-
tional, ROM2.0  was used  for extensive
testing of emissions control  scenarios
within the Northeast U.S. for EPA's Office
of Air Quality  Planning  and Standards
(OAQPS), as well as the Vice President's
Commission  on  Clean  Coal  Technology,
and the Congressional Office of Technol-
ogy Assessment.
  A large field project in the Northeast
U.S. was planned  and  conducted con-
currently  with the  ROM  model  devel-
opment effort. The  purposes of the field
program  were  to gather data  to better
understand  the  important  processes
responsible for photochemical smog on
the  regional scale so they  could  be
properly simulated  by the model  and  to
provide a data  base for testing  and
evaluation  of  the  model.  The field
program  was  carried  out  over  two
summer periods during 1979 and 1980.
Measurements were taken from Ohio and
Michigan to the East Coast, both  in
regional and in local projects. Extensive
aircraft measurements supplemented the
ground-based network.  The  data base
from  1979  was used primarily  in the
model development, testing, and evalua-
tion phases of ROM1.0.  The  1980  data
base  was used almost  exclusively for
model evaluation of  ROM2.0.
  This project presents the results of the
evaluation  of  ROM2.0 on the  1980
Northeast U.S. data base. Emphasis  is
placed on the comparison between pre-
dicted and  observed 03 concentrations,
although NOX and hydrocarbons are eval-
uated also, to  the  extent that the  data
allow. Ground-based and  aircraft data are
used in the analysis. The purpose of this
evaluation is essentially  a confidence
building exercise in the  ROM2.0 for  its
use as an air quality planning tool.
Model Application

  The  ROM has  been designed  to
simulate most of the important chemical
and  physical processes responsible for
the production of photochemically pro-
duced  03  on  scales of 1000 km,  or
several  days of  transport time.  These
processes include  horizontal  transport,
atmospheric chemistry,  nighttime wind
shear and  turbulence episodes associ-
ated with the nocturnal jet, cumulus cloud
effects  on  vertical  mass transport and
photochemical reaction  rates, mesoscale
vertical  motions induced  by terrain and
the large scale flow, terrain effects on
advection, diffusion, and deposition, sub-
grid  scale  chemistry processes,  emis-
sions of natural and  anthropogenic pre-
cursors, and deposition. They are mathe-
matically simulated  in the 3-D Eulerian
model with  3-1/2 vertical layers including
the  boundary  layer and the  capping
inversion or cloud layer. Horizontal reso-
lution is  1/4° of longitude  by  1/6°  of
latitude, or about 18.5 km.
  The  particular  application of ROM2.0
used in  this evaluation exercise was
conducted on a historical data base, with
model  simulation beginning at 1200  h,
local standard  time (LST) on  July  12,
1980 and continuing through 1200 h, LST
on  August  31, 1980.  The domain  of
application  is that of the Northeast U.S.,
shown  in Figure  1.  The simulation was
not reinitialized at any time after it began.
It was  continuous in  time, performed in
contiguous  3-day  segments,  with  the
simulation results from  the final step of
one  segment used as restart conditions
for the initial step of the next  segment.
The  simulation period contained several
significant  O3  episodes  in the  North-
eastern  U.S., with measured concentra-
tions as high as 300 ppb.
  The  data  bases  used  in  this project
include  meteorological, air quality, and
emissions   components.  The   ROM
requires all three  types of  data  for
simulating  regional air quality.  The
performance evaluation of the model pre-
dictions primarily requires the  air quality
data base. The summer 1980 period was
chosen  for  this  effort because  it
coincided  with  several major  field
projects, conducted in the Northeast U.S.,
designed to study the regional and  urban
03  problems. These projects  provided
special data bases which supplemented
the  standard air quality and meteor-
ological measurements archived in  EPA's
SAROAD (Storage and Retrieval of Aero-
metric  Data) system and collected by
NOAA's   National   Weather   Service
(NWS), respectively. The  model  h«
been designed to  run in an  operation
mode solely on these routinely collects
data bases. The special study data base
are used  for  model evaluation  ar
research on model parameterizations.
  The  SAROAD  data, supplemented t
monitoring data in  southern  Ontari
Canada  obtained  from  Environme
Canada and the Ontario  Ministry of  tf
Environment,  provided hourly measur
ments  of  O3,  N02,  and  NOX  at  fixe
monitoring sites within the model domai
There  were  214 sites where 03 mea
urements were made, 107 sites for NC
and 65 sites for NOX during the summ
1980 period. Most of the monitoring sit<
are within or near urban areas.
  Hourly surface  meteorological  me
surements were  available  from ««2C
stations within the ROM domain in  tf
NWS  and Canadian  meteorological ne
works.  The ROM  preprocessors assir
ilate raw meteorological  data on atmo
pheric  pressure, temperature, moistur
winds,  and clouds  from  these location
In  addition to the surface measurement
the North  American  upper air soundir
network contains 24 stations within ar
near the boundaries of the ROM doma
where  twice daily  upper air soundinc
provided  measurements  of pressur
temperature, moisture, and winds. Nir
of  these stations are located within  tf
ROM  domain  boundaries, and  the fn
quency of soundings was  increased
four  times per  day  at  these statior
during  "intensive"  NEROS  field stuc
periods.
  During the 1980 summer season EPA
Office  of  Research and  Developme
sponsored two major field studies in  tf
Northeast  U.S. The first was the Nort
east Regional  Oxidant Study (NEROS
The NEROS field measurements conce
trated  on  sampling strategies to clari
and parameterize  essential  process*
simulated  within the  ROM,  to  provic
input data for the model, and to provic
data with  which  to evaluate  the mod(
The Persistent Elevated Pollutant  Ep
sode  (PEPE)  study  was  performed
conjunction with the NEROS in  1980. I
focus was on a regional perspective co
cerning  the   broad  regions of  ha/
associated  with  large  stagnant  a
masses.
  The  Northeast  Corridor  Region
Modeling  Program  (NECRMP), spo
sored by EPA's OAQPS, included urb<
field studies during the summer of 19f
designed  to collect  the necessary i
quality and  meteorological data nece
sary to apply the Urban Airshed Model

-------
                                                                                                            N 38.00°
 Figure 1.    Northeast U.S. ROM domain. Each dot represents a corner of a grid cell.
Washington, DC, Baltimore, New  York,
and  Boston. The data requirements for
applying and evaluating this model led to
the development of a monitoring program
including air quality measurements by
aircraft upwind  of the urban area in the
morning, and over and downwind of the
urban area in the afternoon.
  There are two major components to the
emissions inventory data base needed by
the  ROM system: the  anthropogenic
emissions, and the biogenic emissions.
Anthropogenic emissions of NOX,  CO,
and  various categories  of  non-methane
hydrocarbons (NMHC)  were obtained
from the 1980 National Acid  Precipitation
Assessment Program (NAPAP) emissions
inventory. The final inventory for use by
ROM contains hourly emission  rates on
the ROM's  18.5-km grid  resolution for
NO,  N02, CO, and the NMHC categories
of ethylene, olefins, paraffins, formalde-
hyde, higher aldehydes, toluene, xylene,
and non-reactives.
  The biogenic portion of the emissions
inventory, developed at EPA, consists of
hourly, gridded values of  natural  hydro-
carbon species. Three basic components
are required to develop  estimates  of
hourly, gridded biogenic  NMHC emis-
sions: (a) emission factors representative
of vegetative species indigenous  to  the
modeling  region,  (b)  empirical  relation-
ships between emission  factors  and
specific environmental parameters,  and
(c)  quantitative  estimates  of vegetation
density of the representative species in a
designated area. The development of the
biogenic  inventory consisted  of  the
compilation and assimilation of each of
these factors.
  To circumvent any  model initialization
problems, the ROM is  initialized  on a
relatively clean day several days before
any periods of high 03 concentrations are
found to exist in the  domain. The full
domain  is assumed  to contain spatially
invariant values of  clean  tropospheric
background  concentrations of O3,  NOX,
and  NMHC.1  These species concentra-
tions  were then allowed to  chemically
equilibrate, using an independent chem-
ical solution  module. The  set  of  initial
values was  spatially invariant in   each
horizontal model layer. To further isolate
the model results from initial condition
artifacts, the results for the  first 24 hours
of simulation are not used  in the model
evaluation analysis.
  Boundary  condition  problems cannot
be circumvented in the same manner as
the initial condition  problems. The  goal,
therefore, is  to mitigate the effect of the
 1 Clean tropospheric background values used are
  O3 = 35 ppb, NOX = 2 ppb, NMHC = 15 ppb.

-------
boundary conditions. This has been done
to some extent by the specification of the
size of the model domain. While the area
of greatest interest in the simulations is in
the  Northeast Corridor from Washington,
DC  through  Boston,  the model  domain
extends in  an  upwind  direction to the
Ohio Valley and south to northern Virginia
and West Virginia. In this way the model
assimilates  all of  the significant upwind
sources potentially making an impact on
the  Northeast Corridor  and  thereby
reducing the influence of boundary  con-
ditions in that area. Obviously, the farther
west and south in the domain one goes
from the Corridor, the greater will be the
boundary condition influence.
  We have  assumed  the same  tropo-
spheric background conditions at the
ROM  boundaries as were described for
the  initial conditions, with one exception.
We allow for the fact that 03 may deviate
from this  background  value  at  lateral
boundaries.  We set the  boundary 03
concentration from ambient  monitoring
data for each day of simulation. For a
given  day and time period the same 03
value was used at all lateral boundaries.
Model Evaluation
  Most  methods of  model  evaluation
used in previous studies have been large-
ly deterministic. That  is, the model con-
centration  predictions for a  specific
location are compared to  observations
taken at that location on a given day. The
ROM's developer (R.  Lamb) maintains
that there are  inherent limitations on  the
predictability of air quality models, partic-
ularly  on regional  and  larger  spatial
scales. He suggests  that, even  if  the
model is  formulated  perfectly, the data
needed to  drive  the model  are  not
sufficient to exactly determine the state
of the atmosphere. This uncertainty in  the
atmospheric  state  gives  rise  to cor-
responding uncertainties  in the concen-
tration predictions  from even a  perfect
model.  The  magnitude  of the uncer-
tainties  in the  concentration values is
directly proportional  to  the extent  to
which concentrations  at  a receptor  are
affected by distant sources. Furthermore,
the level  of uncertainty  increases with
increasing distance  from the  nearest
meteorological  station  and with increas-
ing distance to significant sources. These
ideas  concerning  the  uncertainty  in
atmospheric state  translate directly  into
uncertainty in the wind-driven transport
component  of the  air  quality  model
solution.
  In the analyses used for this project we
use a  quasi-deterministic  mode for  the
evaluation of ROM results when  com-
paring  predictions  to  surface-monitored
observations of O3, N02, and NOX. In the
quasi-deterministic  mode we aggregate
concentrations  at  groups  of receptor
locations and compare the  aggregate
frequency distribution of concentrations
from the receptor group with  that of the
observed concentrations from the group.
This is  possible because there are suf-
ficient  numbers  of these  monitoring
stations to form coherent groups for the
aggregation  step  in the  analysis.  For
surface monitoring  of NMHC and also for
all  aircraft  monitoring there  are  not
sufficient stations,  or,  in the  case  of
aircraft, the data are  obtained  too
intermittently, to form groups for  aggre-
gation.  It is therefore  more  difficult  to
implement the quasi-deterministic meth-
od of evaluation.  In this case we form the
most appropriate spatial and/or  temporal
averages of data to  compare  with
observations. With this  combination we
attempt to maintain a balance of the use
of all  available  data with the conscious
desire  to use the  data appropriately. In
this context, the rigorous comparison of
data of dissimilar  scales  is  considered
inappropriate.


Data  Preparation
  The  evaluation of surface-based 03
concentrations follows along  the lines of
the quasi-deterministic analysis. We
focus  on the ability  of  the ROM  to
simulate 03 concentration  frequency
distributions at  groups of  receptor loca-
tions during the  simulation period. Each
group  of receptors  shall have certain
characteristics common to  all members
of the group. In our case we have chosen
the observed frequency distribution of 03
concentrations to be the common charac-
teristic. The first  step  toward forming
coherent groups of stations was to do a
histogram-type analysis on the observed
concentrations from the monitors in the
surface network over the model simu-
lation period. Only daytime (0800-1900 h,
LST) hourly values were included in the
histogram analysis. The values  used in
the  histogram  were  normalized  to
represent the fraction of observations at
each monitoring station that fell within a
given concentration range for the daylight
hours over the  model simulation  period.
Similar data were  compiled for the  214
monitoring sites and were then subjected
to a cluster analysis to form  coherent
groups of sites based on frequencies o
observed  O3 concentrations. Six  suet
groups were formed.
  Air quality monitoring for NOX and N0;
is generally not  as  extensive as that  fo
O3 in the U.S. As with  03,  nearly all o
the sites were located within urban areas
Using  this network to  verify  the per
formance of the  ROM for predicting NO
and  NO2  concentrations  poses severa
problems. The  greatest  problem is tha
the  nature  of these chemical species ir
the atmosphere is largely primary; that is
the  flux of emissions of  the species i;
generally  the  largest contributor to the
ambient  concentrations.  This being the
case,  the  large spatial variations  ir
emissions patterns  are expected  t<
produce  large  spatial  variations  ii
ambient concentrations,  especially  on the
urban scale where the emissions hetero
geneity is greatest.  Urban-oriented moni
tors, such as those available here for NO
and  NO2,  will  capture  concentratior
patterns  characteristic of the  local are;
only. Monitors located in rural  areas, o
areas  that  might  be  more regionally
representative, were generally not avail
able in 1980. Similar scale problems exis
for 03  but are mitigated  somewhat  by the
secondary nature of the pollutant and it;
smaller spatial  concentration gradients
For the quasi-deterministic analysis usec
for  the evaluation,  data from NOX anc
NO2  monitors  were  aggregated  ir
individual  urban areas  with large NO
source emissions.  These  were  majo
metropolitan areas  that  contained multi
pie  monitoring  stations.  The number o
monitors in each group  varied from 2  fo
the  Boston and  Washington areas to  1(
for the New York area.
  Unlike  the  evaluation analyses  fo
surface concentrations of O3, NO2, anc
NOX> the  ROM  evaluation for surface
NMHC and all  aircraft  observations ii
more diagnostic than operational.  There
are a  number of reasons for this. First
the  intermittency of  the data poses some
problems in setting up  evaluative tests
The NMHC and aircraft data are sparse ir
both  space  and time. Group  aggre
gations,  as  performed  for the  othe
species,  are more  difficult to  perform
Therefore, the comparisons  of ROM pre
dictions and observations are made in <
deterministic manner for diagnostic pur
poses  to  show  whether  there is a clea
systematic bias  in  the way  in which the
ROM predictions of surface NMHC anc
concentrations  predicted  aloft  compare
with observations. Close statistical com
parison of the data set is not warranted.

-------
"ummary of Results and
 Conclusions
  The  analysis using  standard  surface-
monitored concentrations has shown that
ROM2.0  predicts  hourly O3 concentra-
tions  above  80  ppb fairly  well,  and
concentrations between 60 and  100 ppb
particularly well. The average percentage
of daylight hours (08-19 h,  LST)  over the
simulation period showing concentrations
above 80 ppb was 21.7% in the observed
data set and 19.3% in the predicted data
set  for station groupings 1-3. These were
the  station groups which showed high to
moderate values of observed 03 concen-
trations. This statistic was compiled from
data over the nearly 50 day simulation
period spanning the  summer of  1980.
Cumulative concentration frequency dis-
tributions and  histogram  analyses of
daytime hourly 03 data have  shown the
model to typically  predict a narrower
overall concentration range than ambient
observational data indicate. High  hourly
values are generally underpredicted and
low values are overpredicted. This feature
was evident in nearly all groups of
monitoring stations. The cumulative fre-
quency distributions  treat  the observed
and predicted data sets independently for
the  simulation period. Table 1 compares
  ie  predicted  and observed  frequency
jistributions for daylight hourly  03 con-
centrations for all station groups.
  The  model has shown good  perform-
ance  in  predicting maximum daily 03
concentrations  averaged  within station
groups during the simulation period. The
average daily maximum 03 concentration
over the  simulation  period for station
group  1 was 88.1 ppb for the observed
data set and 82.6 ppb for the predicted, a
6.2%  underprediction.  An examination of
the  time series of observed  and predicted
maximum 03  concentrations, however,
revealed  that for  this  group there were
often  more significant  differences
between predictions and observations on
any given day. At  the  75th  percentile
level of daily maximum 03 concentrations
the ROM tended to underpredict by 30-
50  ppb  during episodic  periods.  For
group  2,  the average  daily  observed
maximum   was  76.9  ppb   and  the
corresponding predicted value was 79.5
ppb, a 3.4% overprediction. For group 3,
the observed maximum was  64.5  ppb
and the  predicted maximum  was 70.1
ppb, an  8.7% overprediction.  The time
series analysis for group 3 showed that,
on a  daily  basis,  the median and 75th
percentile levels  of the  maximum  03
concentration showed better  agreement
between  predictions  and  observations
than did  the group 1  results,  with both
over-  and  underpredictions  occurring
throughout  the  simulation  period.  The
average performance  over these three
groups was  a 2% overprediction  of  the
daily maximum 03 concentration.
  A key indicator  of model performance
on the regional scale is the accuracy of
simulating the spatial extent and location,
as well as the magnitude of the pollutant
concentrations within  plumes  from  sig-
nificant  source areas  on  the regional
scale, such  as those  emanating from
major  metropolitan areas within  the
model domain.  ROM2.0  performance
analyses  in plume  simulation  were
conducted for the  Northeast Corridor sub-
domain  of NEROS, including  the major
metropolitan  areas  from  New  York
through Boston.  During episodic  condi-
tions  during  the  simulation period,  the
urban  plumes  from Washington,  DC,
Baltimore, New York and Boston could be
clearly discerned  in the model predic-
tions.  There  was  a  systematic under-
prediction   in  the  03 concentrations
downwind of Philadelphia, often making it
difficult to discern  an integral  urban
plume. Figure 2  presents an example of
the comparison  of  observed  and  pre-
dicted  contours  of maximum hourly 03
concentrations over an episode.
  Aggregate groups  of monitoring  sta-
tions for  NOX and NO2 were formed for
the major urban  areas within the model
domain.  Results  of  model  performance
analyses  for NOX and  N02 showed that
the ROM2.0  significantly underpredicts
NOX and N02  among  urban  station
groups at  the  90th  percentile of  the
cumulative  concentration frequency dis-
tribution.  Table  2 presents the average
ratio of observed to  predicted NOX and
N02 concentrations at the 50th and  90th
percentile  levels,  averaged over all
station groups. Spatial patterns of 06-09
h, LOT concentrations of NOX and  NO2
were  also analyzed   for the  Northeast
Corridor sub-domain.  Results of this anal-
ysis demonstrate that concentrations in
this morning period show factors of 2-3
model  underprediction. Exceptions occur
in the Toronto  and  Philadelphia areas
where  the model predictions of NOX and
N02 appear to  be  significantly higher
than than those in other areas. This  may
infer overestimates of NOX emissions for
these areas. A confounding factor in the
performance analysis for NOX and  NO2
was the  scarcity  of  significant areas of
concentrations above 5 ppb,  either in the
model  predictions or in the observations,
for large areas  of  the domain.  The
accuracy of standard  NOX and NO2 moni-
tors degrades greatly below this level,
and  observed data cannot  be trusted to
be accurate when concentrations are less
than 5  ppb.
  Model  performance on surface-derived
NMHC concentrations was performed in
a diagnostic manner because of the inter-
Table 1.    Frequency Distribution of Daylight Observed and Predicted Oj Concentrations
           Within Receptor Groups for the Period 14 July - 31 August 1980

                         Percent of Daylight (08-19 h, LST) O3 Concentrations Between:
Group
1
2
3
4
5
6
Number of
Sites
35
39
64
54
20
2
5-20 ppb
Obs.
8
15
16
22
42
0
Pred.
1
1
1
1
2
0
2 1-40 ppb
Obs.
19
23
28
37
38
26
Pred.
7
9
9
12
16
4
4 1 -80 ppb
Obs.
39
41
46
36
19
63
Pred.
66
69
79
80
73
93
> 80 ppb
Obs.
34
21
10
5
1
11
Pred.
26
21
11
7
9
3
                                          Tattle 2.    Average  Ratio (Obs./Pred.)
                                                     Over Station Groups at  50th
                                                     and 90th  Percentiles of Cum-
                                                     ulative  Frequency Distribu-
                                                     tions
Daytime
08- r 9/7, LST All Hours
Percentile Percentile

NOX
NO2
50th
1.8
2.2
90"1 SQth
2.3 1.9
2.2 2.1
grjth
2.5
1.9

-------
mittency of the  measurements. All  ob-
served  concentrations  were calculated
from a  sum of  the concentrations of
individual  species determined from  gas
chromatographic analyses of the NMHC
samples.  The  ratios of  observed to
predicted   NMHC  concentrations aver-
        N43.
       N42.
       N41.
      N40.
                             aged over the 06-09 h, LDT period were
                             generally in the range of 4-7 for  large
                             urban areas,  and the  ratio for afternoon
                             hours outside of major urban areas was
                             in the  range of 1-3.  Despite the  large
                             model  underpredictions,  an  analysis of
                             the carbon distribution among reactivity
      N39.
 (a)
 (b)
Figure  2.
       A/42,
      N41.
     N40.
     N39.
Contours of maximum hourly 03 concentrations over the period July 20-22, 1980
for (a) observed and (b) predicted data sets. Contours of observed data are in
concentration units of ppb and  contours  of predicted data are in units of
ppb/100.
classes in the observed and predictec
data sets showed quite good agreemen
in  the relative  distribution of carbor
mass between higher and lesser reactive
classes.  The biogenic  portion  of the
NMHCs  (as  judged by the explicitly
modeled isoprene compound)  did no
show up consistently in the  measurec
NMHC samples.  It was therefore difficul
to  judge ROM2.0 performance  on  ar
absolute basis. The model predictions o
isoprene  concentrations,  however,  were
in  good agreement  with  surface value;
quoted in the literature from special fielc
studies.
  Model  performance  analyses  usiru
aircraft data were also  performed in ;
diagnostic manner because of the  inter
mittency  of the flights both in time an<
space. The  analysis for 03 concentra
tions  shows  that, in general, the overal
background  values  in   the  planetary
boundary layer do not build up as higl
under  episodic  conditions in  the pre
dictions as they  do  in the observations
Typically, regionwide 03 concentration;
predicted by  ROM2.0 were in the 40-6(
ppb range, while corresponding  concen
trations measured by aircraft monitor!
were  40-90  ppb, with  the higher ob
served values occurring  under strong
episodic  conditions.  Most instances d
regionally elevated O3  values  wen
underestimated  by  20-30 ppb.  Ozon<
aloft in the  morning, upwind of  urbai
areas, was generally underpredicted oi
days  when  aircraft  measurement!
showed values greater  than  -70 ppb
The regional background 03 underpre
diction by the ROM  was, however,  not i
totally pervasive phenomenon.  Exam
ination  of  predicted spatial  pattern:
reveals the model to predict large area:
of  >80 ppb  concentrations which  buil<
up, especially during daytime hours, am
are  transported through the  mode
domain.  These areas often merge witl
each  other as they  grow larger and  an
moved by the transport fields. Typically
they shrink in size after the sun sets am
gradually  dissipate  over the nighttimi
hours. Ambient  patterns,  as judged b
the  intermittent  aircraft  observations
appear to show  more widespread  area
of   >80  ppb 03 concentrations  unde
episodic  conditions.  These  areas als
apparently do not  shrink  in size an*
magnitude over  the nighttime period a
much  as the ROM  predictions sugges
as judged by the early  morning aircra
flights. Background  values of NOX wer
also underpredicted, by factors of 2-J
Observed values of NOX concentratio
were often  in the 5-10  ppb range o

-------
regional flights with predictions along the
 ame flight path typically less than 5 ppb.
  Flights conducted in and downwind of
urban areas showed ROM's 03 concen-
tration predictions to  be  very credible,
especially  when model  wind  fields
provided transport along  the Northeast
Corridor  from  a southwesterly direction.
The urban plumes simulated downwind of
Boston,  New York,  and Washington
especially  showed good  agreement with
aircraft observations. The  ROM tended to
underpredict the maximum concentration
areas within the  plumes,  although  the
degree of underprediction was not great
for concentrations as  high  as  150-180
ppb.  For observed concentrations over
200   ppb,  as  measured  by  aircraft
monitors, the model underprediction was
generally more substantial. Model  per-
formance or  NOX concentrations  ob-
served in the aircraft data shows ROM2.0
to generally underpredict, with observed
to predicted ratios of  + 5  ppb NOX in the
range of  1-2. These ratios  were generally
somewhat  less  than those  for  the
corresponding NOX ratios  in the  aircraft
background measurements  and  for  the
surface concentration  analyses. Concen-
trations  of NMHC  aloft  during  the
morning  period  were observed  to be
considerably lower (by up to a factor of
10 or more) than the morning  surface
NMHC concentrations. ROM2.0 still gen-
erally underpredicted the  NMHC concen-
trations observed from aircraft samples,
but by a smaller factor (1-3, as opposed
to 4-7 in the surface data).
  It is clear  from  our study that a critical
factor in the utility  of regional  model
results is the  correct  simulation  of  the
location  of  regional  concentration  pat-
terns, especially from urban area plumes.
The  important factor  in  the vicinity  of
major urban areas  is the correct simu-
lation of the mixing of upwind, over, and
downwind air  concentrations.  Providing
accurate wind fields to regional  models
will help  ensure this.  We  are attempting
to correct  some  transport  biases  dis-
covered  in  ROM2.0 from this perform-
ance evaluation. The problem of localized
circulation features that often exist on
scales smaller than the existing meteoro-
logical   monitoring   network  will   still
remain. For  Northeast Corridor cities,
these local circulations may greatly influ-
ence plume transport patterns.  Ulti-
mately, a nested scale predictive meteor-
ological  model  may  be  needed  to
generate  the transport fields  used  in
ROM to  most  accurately  model plume
transport on  regional  scales in  areas  of
complex flow.
  While  the  overall  performance  of
ROM2.0 for predicting 03  concentrations
has  not  shown sufficient  cause  for
rejecting  use of the rrtodel in regulatory
analyses,2 a number of issues  have
arisen that prevent recommending use of
the model in a simple, unassisted manner
for studies involving violations of the 03
air quality standard. These include  day-
to-day  variability  of model bias results,
systematic transport  biases  seen in the
spatial  patterns, and perhaps  most
importantly,  a general underprediction  of
regional background   03 concentrations
under  episodic conditions. For  applica-
tions studies,  such   as  the upcoming
ROMNET (Regional Oxidant Modeling for
Northeast Transport)  project, the  ROM
results must be used with care. Episodes
must be  chosen for which the model  is
operating at its most consistent level with
best fidelity. Careful analysis of the simu-
lated transport patterns and background
O3  levels must be made for  a given
episode before  model  results  can be
used for subsequent  analysis.  Sensible
guidance for use of ROM  results will re-
quire strong interaction of the modelers,
with  their insights and ability to interpret
model results, and the regulatory  users of
the information.
  This model performance study has also
raised  some key questions concerning
the data  base with perhaps the  greatest
inherent uncertainty, the emissions inven-
tory. The large and consistent underpre-
diction of NMHCs seems to  indicate de-
ficiencies in  the hydrocarbon portion  of
the inventory. These deficiencies may be
across the board on all sources since the
2Model evaluation studies, such as this one, will not
 indicate  model acceptance, but rather will only
 indicate  whether model rejection  is warranted.
 Model acceptance comes only after non-rejection
 in many evaluation studies ovier tme.
normalized  carbon  fractions seem to
agree fairly  well in the observations and
predictions of NMHC  reactive classes.
Missing or incorrect temperature sensitiv-
ities of  both biogenic and anthropogenic
precursor emissions may be responsible,
in part, for  the  failure of the model to
build  the background tropospheric  03
concentration levels as high as they have
been  observed from  field  study  results
during  episodic  conditions.  Current
efforts toward the development of a 1985
base year emissions inventory by NAPAP
will take  steps to rectify some  of the
known deficiencies in the  1980 inventory.
  To  complete  the picture of  model
performance evaluation, there must be a
corresponding model sensitivity study. A
systematic sensitivity study of a complex
regional  model such as  ROM is  a very
resource-intensive task, and was outside
the scope of the present effort. Results
from a sensitivity  study will, among other
purposes, help guide the application of
resources to narrow the  uncertainty in
those required data for which the  mode!
is most sensitive. Results from a  model
evaluation study, such as this  one, will
help  to  provide invaluable guidance
toward establishing some of the critical
sensitivity tests. We hope to begin such a
sensitivity study soon. The combination
of performance evaluation and sensitivity
results is key to understanding  why a
model has performed  in  the manner it
has under varying conditions.
  Model  performance is a  continuing
task. Once a model is used in production
for multiple  applications  some type of
performance  study  is  required  for each
application. Even though the science em-
bodied  in the model may  be   up to
contemporary  standards, the stochastic
nature  of the  atmosphere  can   cause
variations in model  performance  from
location to location and from time to time.
Detailed  data  bases,  including aircraft
based measurements, such as  those
used  in  this study,  are  not  commonly
available.  However, the methods of eval-
uation demonstrated here may also  be
applied  to routinely available  data  bases
for less rigorous evaluation exercises.

-------
The EPA author. Kenneth L Schere (also the EPA Project Officer, see below), is
 on  assignment  to  the Atmospheric  Research  and  Exposure  Assessment
 Laboratory, Research  Triangle Park,  NC 27711, from the National Oceanic and
 Atmospheric  Administration,  Richard A. Way/and is with  Computer Sciences
 Corporation, Research Triangle Park,  NC 27709.
The complete report,  entitled "EPA Regional Oxidant  Model (ROM2.0): Evaluation
 on  1980 NEROS Data Bases," (Order No. PS 89-200 8281 AS; Cost: $36.95,
 subject to change) will be available only from:
        National Technical Information Service
        5285 Port Royal Road
        Springfield, VA 22161
        Telephone: 703-487-4650
The EPA Project Officer can be contacted at
        Atmospheric Research and Exposure Assessment Laboratory
        U.S. Environmental Protection Agency
        Research Triangle Park, NC 27711
United States
Environmental Protection
Agency
Center for Environmental Research
Information
Cincinnati OH 45268
Official Business
Penalty for Private Use $300

EPA/600/S3-89/057
             CHICAGO

-------