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Environmental Modelling & Software 15 (2000) 503–511

www.elsevier.com/locate/envsoft

Application of a parallel photochemical air quality model to the


Campania region (southern Italy)
a, b,*
G. Barone , P. D’Ambra b, D. di Serafino b, c
, G. Giunta b, d
, A. Murli a, b
,
A. Riccio a, b
a
Department of Chemistry, University of Naples “Federico II”, via Mezzocannone 4, 80134 Naples, Italy
b
Center for Research on Parallel Computing and Supercomputers (CPS) — CNR, Naples, Italy
c
The Second University of Naples, Caserta, Italy
d
Naval University of Naples, Naples, Italy

Abstract

During most of the year, the concentrations of both primary and secondary air pollutants over the Campania region (southern
Italy) do not comply with the Italian air quality standards. To gain insight into the chemical and meteorological processes that lead
to high air pollutant concentrations over this area, the parallel package PNAM (Parallel Naples Airshed Model) has been developed,
for the numerical simulation of photosmog episodes on urban and regional scale domains. PNAM has been applied to a photosmog
episode which occurred on 26 July 1995. On this day, due to the stagnant conditions and the intensive solar radiation, a high ozone
concentration was reported for the Naples basin. The performance of PNAM has been assessed by comparing measured air quality
data with simulated data for O3, NO, NO2 and CO. PNAM was able to reproduce temporal and spatial characteristics of measured
air quality data, although some discrepancies were evident, probably mainly due to the emission inventory, which was based only
on total annual emissions.  2000 Elsevier Science Ltd. All rights reserved.

Keywords: Air pollution modeling; Photosmog numerical simulation; Parallel computation

1. Introduction numerical simulation of air pollution episodes in urban


and regional scale domains, on MIMD distributed-mem-
The Campania region, in southern Italy, is one of the ory parallel machines. It is based on an Eulerian
most densely-populated regions in Europe. The associa- approach, i.e. the pollutant dynamics are described by
ted anthropogenic emissions result in high air pollution solving the mass-balance equation for each chemical
levels, which often exceed the air quality standards set compound. The present version includes the LCC chemi-
by the Italian laws. To gain insight into the chemical and cal mechanism (Lurmann et al., 1987) and the same dry
meteorological processes that lead to high air pollutant deposition module used in the CIT airshed model
concentrations over this area, a research activity has (Harley et al., 1993); symmetric time splitting is applied
been carried out at the Center for Research on Parallel to decouple advection and diffusion-chemistry operators.
Computing and Supercomputers (CPS–CNR) in Naples, The parallel implementation is based on grid partitioning
in collaboration with the Department of Chemistry of the and dynamic load balancing is also addressed. The code
University “Federico II” and the Faculty of Environmen- is written in Fortran 90 and is based on the parallel Run-
tal Science of the Naval University of Naples (Barone time Software Library (RSL) (Michalakes, 1994).
et al., 1998a,b,c). This activity has led to the develop- In this study, PNAM has been used to simulate a pho-
ment of the first version of a parallel software package, tosmog episode which occurred between 25 and 27 July
the Parallel Naples Airshed Model (PNAM), for the 1995. During this period a high ozone concentration
(about 150 ppb) was observed for the Naples basin. In
addition, air quality data from the Campania region
* Corresponding author. Tel.: +39-081-2536602; fax: +39- monitoring network (MARC) and meteorological
0815527771. measurements from the monitoring network of the Naval
E-mail address: barone@chemistry.unina.it (G. Barone). University and the Italian Meteorological Service were

1364-8152/00/$ - see front matter  2000 Elsevier Science Ltd. All rights reserved.
PII: S 1 3 6 4 - 8 1 5 2 ( 0 0 ) 0 0 0 4 0 - 2
504 G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511

available, thus giving the possibility to validate model emissions, concentrations of atmospheric pollutants
results. often exceed the Italian air quality standards. For
In Section 2 we outline the topographical features and example, the city of Naples, with a population density
the air pollution situation of the Campania region. In of about 9000 inh./km2 downtown, and about 3000
Section 3 we give a short description of PNAM, outli- inh./km2 in the suburbs, is characterized by a constant
ning the mathematical model, the numerical solution presence of photochemical smog during the summer
methods and parallel implementation issues. The photos- months, especially on days with atmospheric stagnant
mog case study which PNAM has been applied to, the conditions, while during the winter months it is charac-
data setup and a discussion about the results of the terized by high concentrations of primary pollutants
simulation are given in Section 4. (particularly NOx). Moreover, in the last three decades,
many urban centers were included in the urban area of
Naples, so that presently a unique large urbanized area
2. Campania region topography and air quality extends towards the north up to the city of Caserta (about
situation 40 km inland), and towards the south-east up to the city
of Salerno. The provinces of Avellino and Benevento,
The geographical region under study is shown in Fig. extending across the Appennini chain, have a compara-
1. This region is characterized by complex topographical tively lower inhabitant density. It is impressive to con-
features. The city of Naples is located on the coast and sider that during 1995, as measured from MARC, the
is surrounded by fairly high mountains and hills on three NO2 concentration exceeded the 1-h average level of 200
sides: the Camaldoli hills to the east and north and the µg/m3 approximately 800 times, the CO concentration
Vesuvio volcano (more than 1000 m) to the west. To the exceeded the level of 15 mg/m3 approximately 40 times,
south-east of Naples, the Monti Lattari mountain chain and the O3 concentration exceeded the level of 180
extends about 30 km to the sea, determining two gulfs: µg/m3 65 times, in the urban area of Naples. This means
the Gulf of Naples and the Gulf of Salerno. A large flat that during the winter and most of the summer, both
land extends to the north of Naples (the famous latin primary and secondary air pollutants did not comply
Campania Felix). The inland territories are mountainous with the Italian air quality standards.
and characterized by the presence of the Appennini
chain, with mountains higher than 2000 m. The southern
part of the Campania region (Cilento) is also a mountain- 3. A short description of PNAM
ous region.
During the summer season the background synoptic 3.1. Mathematical model
flow is generally weak, the ventilation is poor (the wind
magnitude often does not exceed 3 m/s) and the mixing PNAM is based on an Eulerian approach, i.e. the air
height is shallow, so that pollutants stagnate near the pollution dynamics is modelled by the following system
ground. Moreover, as a consequence of the high-density of coupled nonlinear partial differential equations:
population and of the high associated anthropogenic
∂ci
⫽⫺ⵜ·(uci)⫹ⵜ·(K·ⵜci)⫹Ri(z, t, c)⫹Di(x, t, ci) (1)
∂t
⫹Ei(x, t) i⫽1, …, n
where c=(c1, …, cn) is the vector of the concentrations
of n chemical species, u is the wind velocity field, K is
the turbulent diffusion tensor, Ri, Di and Ei are the reac-
tion, dry deposition and emission terms, respectively,
and x=(x, y, z).
The solution of these equations is decoupled from that
of the Navier–Stokes equations, i.e. any dependence of
the turbulent diffusion tensor and of the radiative proper-
ties of the atmosphere on the chemical processes is neg-
lected.
The chemistry and dry deposition modules have been
extracted from the cit photochemical model (Harley et
al., 1993; McRae et al., 1982). The present chemical
module is based on the LCC/SAPRC mechanism (Harley
Fig. 1. Campania region topography. Contour lines are at 0, 100, et al., 1993; Lurmann et al., 1987), involving 42 species
500, 1500 and 2000 m. and 107 gas-phase chemical reactions. The dry depo-
G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511 505

sition is computed using a three-layer resistance scheme, kth vertical grid point, Dk is the discretized diffusion
to account for the transport through the boundary layer operator and M is the total number of grid points in the
and the laminar sublayer and for pollutant–surface inter- vertical direction. The following boundary condition is
actions. For more details see Harley et al. (1993), Lurm- applied at the ground level:
ann et al. (1987) and McRae et al. (1982) and the refer-
∂c
ences therein. ⫺Kzz ⫽E⫺vgc (4)
∂z
3.2. Numerical methods where Kzz is the vertical turbulent diffusivity and vg is
the dry deposition velocity. A zero-gradient boundary
The governing equations (1) are discretized on a three- condition is applied at the top of the computational
dimensional grid. The grid spacings are uniform in both domain.
horizontal directions, while they are non-uniform in the The integration of system (3) accounts for a large part
vertical direction, to better resolve near-surface gradi- of the computational work in an air quality simulation,
ents; a σ terrain-influenced coordinate transformation is thus requiring effective numerical methods and software.
used in the vertical direction. The grid is an Arakawa We use a modified version of the VODE package, which
C-grid, with wind velocities defined at cell-face centers solves stiff ODEs using BDF formulas. To fully exploit
and concentrations at cell centers. the sparsity of the linear systems arising from the appli-
A symmetric time-splitting is applied to (1), which cation of modified Newton iterations, we apply an iterat-
decouples advection from diffusion and chemistry, i.e. ive method, based on a block-Jacobi relaxations. We also
cn+1⫽T ⌬t/2 ⌬t ⌬t/2 n
A T DCT A c (2) use the kinetic pre-processor (KPP) tool (Damian-Iorda-
che and Sandu, 1995) to minimize the fill-in arising from
where TA and TDC are the advection and the coupled the LU factorization of subblocks of the Jacobian matrix,
diffusion-chemistry operators, respectively, and n is the and to generate efficient code that performs the corre-
current time level (the index i in cni has been dropped sponding forward and backward substitutions. Details
for convenience). The former operator is treated are given in Barone et al. (1998b).
explicitly, while the latter implicitly.
The advective transport is solved using the method of 3.3. Parallel implementation
lines. A third-order positive upwind method with flux
limiters is applied in the horizontal direction (for more In PNAM the three-dimensional grid is partitioned
details see Hundsdorfer et al., 1995), and a first-order along the x and y directions, i.e. the domain is decom-
upwind in the vertical direction. A second-order Runge– posed into vertical air columns, which are mapped onto
Kutta (Heun) method is used to solve the system of a two-dimensional logical grid of processors. This is a
ODEs arising from the semidiscretization of the advec- natural approach in atmospheric modelling (see for
tive transport. The lateral boundary conditions for the example Dabdub and Manohar, 1997; Dabdub and Sein-
advection steps depend on the flow direction: in the case feld, 1996; Elbern, 1997), since it avoids communi-
of inflow a constant extrapolation is used; in the case of cations involving diffusion and radiation processes.
outflow they are determined using a second-order extra- Moreover, this choice allows the use of efficient and
polation, clipped to avoid negative concentrations. The reliable sequential software, such as the modified VODE
use of the constant extrapolation in the case of inflow package mentioned in Section 3.2, for the solution of the
has been mainly motivated by the need for avoiding new vertical diffusion and chemistry operators, and nearest-
extrema in the solution, due to the extrapolation (van neighbor communications occur only to exchange sub-
Loon, 1995). A zero-gradient boundary condition is domain boundary data during the advection steps.
applied at the top of the modeling domain, while a zero- Load balancing is also addressed in PNAM. An equal
flux boundary condition is applied at the bottom, where partition of columns among processors generally leads
the velocities are equal to zero (the first vertical level, to load imbalance during the chemistry-diffusion stage,
plus the displacement height and the surface roughness and hence to a degradation of the parallel performance.
length, matches the terrain height). The main sources of load imbalance are the different
The vertical diffusion and chemistry are treated dynamic conditions in different subdomains, for
implicitly. The diffusion term is previously discretized example, different emission rates from urban and rural
by a second-order centered finite-difference scheme, so areas and different time steps chosen by the variable time
that the diffusion-chemistry equation assumes the form step chemistry solver (photochemical reactions activate
d at sunrise and deactivate at sunset, thus changing the
c ⫽F (c)⫽Dk(z, c)⫹R(ck), 1ⱕkⱕM (3) stiffness of Eq. (1)). A dynamic load balancing strategy,
dt k k
similar to that used in the MM90 software (Michalakes,
where c is the complete concentration grid vector along 1997), is implemented in PNAM. The workload measure
a vertical column, ck is the concentration vector at the is based on the accumulated time per single vertical col-
506 G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511

umn for solving the advection and diffusion-chemistry Vorticity-mode Mesoscale-β (TVM) model (Bornstein et
operators and a global-decision/local-migration algor- al., 1996; Schayes et al., 1996). It was run offline, i.e.
ithm is used to periodically redistribute columns among hourly, two- and three-dimensional fields were first gen-
available processors. erated and then supplied to PNAM. The TVM model is
The Runtime System Library (RSL) (Michalakes, three-dimensional and non-hydrostatic. It uses a σ ter-
1994) has been used for the parallel implementation of rain-influenced coordinate system to account for topo-
PNAM. It provides high-level constructs for automatic graphical features, and the Navier–Stokes equations are
domain decomposition, nearest-neighbor and global written in terms of vorticity. The equations are simplified
communication, dynamic remapping of work onto pro- by using the incompressible and the shallow Boussinesq
cessors for load balancing, and also for grid refinement approximations. TVM has already been validated and
and irregularly shaped nesting. More details on the paral- used to simulate atmospheric circulation phenomena
lel implementation and the dynamic load balancing strat- (Bornstein et al., 1996; Grossi et al., 1996; Schayes et
egy, with performance results on an IBM SP2 machine al., 1996). In our case study, TVM used the same grid
with 12 processors, are given in Barone et al. (1998a). of PNAM, but with a greater number of vertical points,
i.e. 24, up to a cumulative height of 15 km.
The roughness lengths were estimated from landuse
4. Application of PNAM to an air pollution episode data, both for the meteorological and the air quality
model. The landuse field was extracted from the Italian
4.1. Case study Army Geographic Institute (IGM) archive at an original
resolution of 250×250 m2 and mapped onto the corre-
From a meteorological point of view, the period under sponding CIT categories.
study was characterized by a high pressure weather sys- Ultraviolet and total solar radiation fields, as well as
tem and stagnant conditions. The geostrophic wind initial conditions, were estimated from the data of the
direction, estimated from synoptic maps, was north-west MARC database. Presently, MARC, operated by the
and its intensity was about 4 m/s. The intense solar radi- Campania Regional Board, automatically detects the
ation determined an intensive photochemical activity concentrations of various atmospheric pollutants, e.g.
with a high production of ozone and other photochemical SOx, NOx, O3, PAN, CO and VOCs, in the main urban
oxidants. For these reasons, during 25–27 July 1995 the areas of the Campania region, in order to alert local auth-
Naples urban area experienced a photosmog episode, and orities to dangerous exceedances. Air quality data from
ozone concentration exceeded 150 ppb, i.e. it was well 17 stations were available. These data were interpolated
above the attention level of 180 µg/m3 defined by the to derive initial conditions for NOx, CO, NMHC and O3
Italian legislation. concentrations at ground level. For MEK, ALD2 and
The modeled domain extends over a volume of HCHO, the background value of 3 ppb was used. Unfor-
384×384×2.4 km3 and was discretized using a rectangu- tunately, initial conditions at upper levels were not avail-
lar grid with 64×64×16 cells in the x- y- and z-directions, able; for this reason, the initial concentrations at upper
respectively (the inner part of this region in shown in levels were calculated by linear interpolation from the
Fig. 1). The horizontal grid spacings were uniform and ground level concentrations and the natural background
equal to 6 km in both the x- and y-directions; vertical values at the simulated maximum mixing height. To
level spacings ranged from ⌬z=10 m at the ground level minimize the impact of initial conditions, a startup time
to ⌬z=649 m at the uppermost level. A stretching func- of 24 h was used, i.e. the simulation started on 25 July at
tion was applied by PNAM to make the grid uniform 0:00 LST, and only the results for 26 July were analyzed.
also in the vertical direction. As it is well known, the results of an air quality simul-
A splitting interval of 15 min was used in the simula- ation are sensitive to the accuracy of the emission inven-
tions, and meteorological data were read every hour. tory; moreover, a high quality inventory is compulsory
if a photochemical model has to be used for selecting
4.2. Initial data setup effective air pollution abatement strategies. Unfortu-
nately, an accurate and well-documented emission
As it is widely known, a large amount of input data inventory for the Campania region has not yet been
are needed by an air quality model, such as spatially and developed. The only available data are the annual emis-
temporally resolved emission inventories, temperature, sions from the five provinces of the Campania region for
humidity, mixing heights, landuse and surface roughness 1995 (Naples City Council, 1987). In order to spatially
fields. In the following, the most important data sources and temporally resolve the available data, we used an
are described. approach similar to that described in Ziomas et al.
Meteorological data (wind velocity, diffusion tensor, (1995). The traffic daily emissions were calculated by
Monin–Obukhov length, friction velocity, mixing height taking into account the typical seasonal and
and temperature) were generated by the Topographic weekday/weekend traffic volumes of each province
G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511 507

(Naples City Council, 1987). The daily emissions for the


weekday of the calculation, 26 July 1995, are summar-
ized in Table 1. Most of the atmospheric pollutants are
emitted from the urban area of Naples, i.e. about 40%
of NOx, 60% of CO and 60% of VOC emissions from
the Campania region are emitted from the Naples basin.
The traffic daily emissions were split into 24 hourly
emissions, proportionally to the corresponding traffic
volumes, to assign an hourly emission to each cell of
the computational grid. Hydrocarbon emissions were
distributed according to the appropriate categories for
use in the LCC chemical mechanism (Lurmann et al.,
1987), and NOx emissions were split into 90% of NO
and 10% of NO2. Biogenic emissions and emissions
from harbor and airport activities were not taken into
account; furthermore, since we considered a summer
day, emissions from civil heating were not included.
Industrial emissions were taken into account according
to available data about localization and cycles of oper-
ation.

4.3. Results

In Fig. 2 the simulated horizontal wind fields in Cam-


pania are reported at 9:00 and 15:00 LST. In the morning
hours a westerly flow is well established over the
domain, according to the background synoptic flow, and
the wind velocity is generally very weak (about 1 m/s).
During the afternoon, the difference in temperature
between land and sea results in a strengthening of the
flow. The mean wind velocity at the first computational
level (about 10 m above the ground level) is about 3.0
m/s. The hills to the north of Naples and the Vesuvio
Fig. 2. Simulated horizontal wind field at the first computational level
volcano generate a channeling effect, so that the wind (⬇10 m) at 9:00 LST (top) and 15:00 LST (bottom).
is canalized through the plain between the mountains.
Various channeling effects are also visible through the
gaps of the Appennini chain. The wind blows from the The results from the meteorological model have also
south-west over the city of Salerno, where a sea breeze been compared with available measured data, to assess
cell develops; unfortunately, no experimental data are the reliability of the computed wind field before provid-
available for this location. Further results from the ing it as input for PNAM (see, for example, Grossi et
meteorological model (data not shown) have also al., 1996, for a sensitivity study about wind field
revealed a very shallow mixing height near the coast, so predictions). In Fig. 3 simulated vs. measured wind data
that pollutants stagnate over the Naples basin during the at the first grid level are reported at five monitoring sta-
night and most of the morning. tions of the Campania region. During the night, the wind
speed is very low (⬍1 m/s) in all the locations, and is
often below the minimum threshold revealed by the
Table 1 instruments. During the early morning a shift in the wind
Daily emissions (tonn/day) of atmospheric pollutants from the Cam- direction (from westerly to southerly) is observed at the
pania provinces on 26 July 1995
Naples monitoring station, where the wind direction
NOx NMHC CO changes by about 90°; the transition between the night
and day circulation is due to the sea breeze, which
Naples 84.5 78.0 877.4 develops in the morning hours and lasts until late after-
Caserta 19.5 7.6 186.5 noon. During the whole time of simulation, the mean
Salerno 23.5 19.8 226.2
Benevento 5.8 2.4 52.2 wind direction is westerly in Ischia, Licola and Caserta
Avellino 22.7 5.5 64.0 monitoring stations (see Fig. 1 for the location of these
stations) and there is no drastic change in the wind direc-
508 G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511

Fig. 3. Observed (×) and simulated (———) wind speed and direction at five locations of the Campania region.

tion, according to the mean synoptic flow. At the Benev- of the pollutant mass. During the morning hours, the
ento station, the simulated wind again blows from the maximum CO concentration is about 5 ppm over the city
west, but the wind speed is overestimated. The model of Naples. At 12:00 and 15:00 LST the sea breeze is well
reproduces a stronger flow along the main axis of the developed and the polluted air is transported towards the
valley, which is not observed in the experimental data. north-east, through the gaps of the Appennini chain. The
This finding requires more investigation; probably local lower concentrations are also due to the deeper mixing
forcings affect the measured wind pattern and the coarse height. At 18:00 LST the sea breeze declines and the
horizontal grid resolution is not sufficient to resolve the vertical mixing is less vigorous, hence CO is trapped in
smaller scale features of the flow (Benevento is located a shallow layer close to the ground, and its concentration
in the middle of the Appennini chain, where the topogra- begins to increase over the urban areas.
phy is very complex). The ozone concentration pattern follows the typical
Among modeled species are CO, O3, NO and NO2, daily cycle. The concentration is negligible before sun-
for which measured air quality data are available from rise (⬍30 ppb) because of depletion reactions, mainly
the MARC monitoring network. In Figs. 4 and 5, hori- with NO. During the morning, O3 concentration begins
zontal concentration isophlets at the first grid level are to increase and reaches a peak at about 12:00 LST. The
shown for CO and O3, at different hours during the day maximum concentration is about 180 ppb about 20 km
of simulation. The highest pollutant concentrations are to the north of the Naples urban area. A large production
observed in the Naples basin, from which the majority of ozone is also observed in the Salerno and Caserta
of pollutants are emitted. areas.
CO can be considered as an almost inert pollutant, so A comparison of measured O3, NO, NO2 and CO data,
that its concentration is an ideal tracer for the transport in the main urban areas of the Campania region, with
G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511 509

Fig. 4. Simulated diurnal variation of surface CO concentration in the Campania region on 26 July 1995.

Fig. 5. Simulated diurnal variation of surface O3 concentration in the Campania region on 26 July 1995.

simulated results in the corresponding grid cells is shown to be affected by local influences. Taking into account
in Fig. 6. Unfortunately, measured O3 data are available this remark, the computed results appear promising,
only from the Naples and Caserta monitoring stations. since they show the capability of PNAM of reproducing
Note that in this study a coarse horizontal resolution the temporal and spatial patterns of measured air quality
(6×6 km2) was used, so that local effects cannot be data, although some discrepancies are evident. Let us
resolved, while point-wise experimental data are likely analyze, for example, the situation in Naples. During the
510 G. Barone et al. / Environmental Modelling & Software 15 (2000) 503–511

shoreline was very shallow (less than 500 m at about 10


km downwind of the shoreline).
The comparison between predicted and experimental
results is satisfactory, although some discrepancies are
evident, probably mainly due to fact that only the total
annual emissions were available to build the emission
inventory for NOx, CO and NMHC. The reasons for
these deviations will be analyzed in the frame of future
sensitivity studies.
Future work will also include control strategy design,
study of aerosol processes, as well as the use of nesting
techniques to improve the resolution near the urban
areas, where large gradients can develop.

Acknowledgements
Fig. 6. Computed (———) and measured (· · ·) profiles of pollutant
concentrations in the Campania region on 26 July 1995. The authors wish to thank J.H. Seinfeld and D. Dab-
dub for providing the CIT airshed model, from which
the LCC chemical mechanism and the dry deposition
module were extracted.
night, the O3 concentration is lower than that observed;
PNAM predicted an almost null concentration, below the
background concentration of about 30 ppb. This undere-
stimation is probably in conjunction with the overestim- References
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