em • feature
by Panos Georgopoulos,
UMDNJ – RWJ Medical
School and Environmental
and Occupational Health
Sciences Institute (EOHSI);
Sastry Isukapalli, UMDNJ
– RWJ Medical School;
Janet Burke, U.S. Environmental Protection Agency
National Exposure Research
Laboratory; Sergey
Napelenok, U.S. Environmental Protection Agency
Atmospheric Modeling
Division; Ted Palma and
John Langstaff, U.S.
Environmental Protection
Agency Office of Air Quality Planning and Standards;
Mohammed Majeed,
State of Delaware Department of Natural Resources
and Environmental Control;
Shan He, New Jersey
Department of Environmental Protection Division
of Air Quality; Daewon
Byun and Mark Cohen,
National Oceanic and
Atmospheric Administration; and Robert Vautard,
Laboratory of Climate and
Environment Sciences
(CEA/CNRS/UVSQ). Contact Panos Georgopoulos:
panosg@fidelio.rutgers.edu.
26 em october 2009
Air Quality Modeling Needs
for Exposure Assessment from the
Source-to-Outcome Perspective
Humans are exposed continuously to mixtures of air pollutants. The compositions
of these mixtures vary with time and location and their components originate from
many types of sources, both local and distant, including industrial facilities, vehicles,
consumer products, and more. Exposure characterization is often the weakest link
in the “source-to-outcome” sequence of processes and events affecting human
and ecological health risks from environmental pollutants (see Figure 1).
It is recognized1 that it is generally easier to characterize exposures for ecosystems than for human
populations, as in the latter case exposures can be
particularly sensitive to high-resolution spatial and
temporal variations in ambient concentrations and
the “micoenvironmental” adjustments imposed by
a variety of indoor and outdoor settings (occupational,
residential, recreational, commuting, etc.).
Ultimately, quantifying inhalation exposures of
humans to atmospheric contaminants, such as criteria air pollutants and air toxics, requires characterization of the air flow that enters the human
respiratory tract, i.e. “personal air”. Assessing personal air concentrations, in turn, requires characterization of concentrations in residential and
occupational microenvironments as well as at local
neighborhood ambient scales. The constituents of
the local outdoor air may originate from a variety
of distances, from regional to continental and
beyond. Exposure modeling, therefore, involves
processes spanning a wide range of spatial and
temporal scales.
The last decade has seen an evolution in the practice
of exposure assessment, with the focus changing
from considering potential exposures to a single
pollutant that would occur outdoors at a given
location or across an area of concern, to “person
oriented” multi-pollutant exposure assessments.
Current assessments take into account the behavioral and physiological dynamics of contact with
various contaminants, as individuals (actual or
“virtual” in the case of computer simulations) move
in different indoor and outdoor “microenvironments” while engaged in activities that determine
rates of contact and uptake of multiple pollutants.
To characterize inhalation intakes, airborne concentrations of co-occurring pollutants have to be
determined for each individual at the spatial and
temporal scales defined by the microenvironments
and exposure activity events. This progress was
made possible by the availability of enhanced
computational modeling resources, widespread
GIS applications, new databases on human activities, demographics, microenvironmental attributes,
Copyright 2009 Air & Waste M anagement Association
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Figure 1. An overview of the
sequence of processes and
spatial scales involved in the
source-to-dose-to-outcome
sequence for human health
risks due to inhalation
exposures.
emissions, etc.2 However, the use of more comprehensive realistic frameworks for exposure assessment
raises additional needs for air quality models. These
needs are discussed here, following a brief summary
of the current status of inhalation exposure models.
It should be pointed out that this article focuses on
modeling needs related to inhalation exposures of
airborne contaminants and not on multi-pathway
exposures from contaminants in multiple media.
Information Needs for Exposure
Assessment
Exposure is defined as the “contact of a biological
receptor with the contaminants of concern,”
resulting in the intake and subsequent (systemic)
uptake of these contaminants. Information necessary
for calculating health-relevant metrics of exposure
includes time-course profiles of concentration levels,
frequency and duration of the contact. The environmental (physicochemical) and biological properties of the contaminants determine the relevant
time scales and corresponding temporal and spatial
averaging and sampling practices relevant to
assessments of exposure and associated health
risks. Potential health effects associated with the
contaminants of concern determine the types of
exposures that need to be considered (acute,
subchronic, chronic) and subsequently the types of
environmental, behavioral, and demographic
information that needs to be collected. Spatial and
temporal scales and resolutions can differ widely in
exposure assessments, depending on the situation
of concern. In general, the resolutions of the analysis
should be consistent with the exposure events,
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while the time scale should be relevant to the
health effects of concern.
In situations involving acute inhalation exposures,
such as cases of accidental releases of chemicals,
the criteria for limiting potential outdoor contacts
are provided through the Acute Exposure Guideline
Levels (AEGLs), which combine concentration
levels and contact durations to relate exposures to
different harmful effects.3 The National Advisory
Committee for AEGLs has been developing these
guidelines to help both federal and local authorities,
as well as private companies, deal with emergencies involving spills, or other accidental releases of
hazardous chemicals. The AEGL values are intended
to serve for alert and emergency response planning as well as for disaster control. AEGL values
represent toxicologically relevant “ceiling” exposure
levels for different exposure periods (10 min, 30
min, 1 hr, 4 hr, 8 hr) and for three different degrees
of severity of toxic effects: a threshold for notable
discomfort (AEGL-1); a threshold for serious, longlasting effects or an impaired ability to escape the
area of exposure (AEGL-2); and a threshold for
lethal effects (AEGL-3).
In situations involving sub-chronic and chronic
inhalation exposures it was common practice—up
to the recent past—to use ambient levels of concentrations of criteria pollutants and air toxics as
inputs to epidemiological studies addressing questions on human health risks. Specifically, outdoor
concentrations, either from ambient central fixed
monitors or from numerical simulation models have
been used as surrogates for personal exposure.
Copyright 2009 Air & Waste M anagement Association
october 2009 em 27
However, a “key problem in using modeled or
monitored ambient concentration data to estimate
exposures is the fact that people in most societies
spend most of their time indoors”4. The fact that
actual human exposures are dominated by personal
activities and the attributes of microenvironments is
now gaining universal recognition (see Figure 2).
Figure 3 further illustrates this point by presenting
the distributions of simultaneous measurements of
background, local outdoor, indoor, and personal air
concentrations for three pollutants with different
physicochemical properties: benzene, formaldehyde,
and fine particulate matter (PM2.5). The pollutants
were collected from over 300 homes of non-smokers
in three U.S. cities representing different climatological and demographic settings (Elizabeth, NJ,
Houston, TX, and Los Angeles, CA). It is clear that
personal exposures cannot be adequately represented by ambient concentration levels. Figure 4
presents predicted concentrations vis a vis inhaled
doses of PM2.5 in Philadelphia, PA and provides
an example of a modeling analysis consistent with
this fact.
It should be noted that exposure science is a rapidly
evolving field and the development of a standard
and commonly accepted terminology is an ongoing
process. Very often, procedures that are called
exposure modeling, exposure estimation, or exposure assessment may in fact only refer to a sub-set
of the components required for exposure characterization, such as modeling local dispersion patterns of a contaminant. Though they are not
complete exposure studies per se, such efforts have
value, as they potentially improve individual
components of a comprehensive assessment.
Nevertheless, in the following, the terms “exposure
model” or “modeling” will refer specifically to formulations that explicitly describe contact with contaminants by considering (a) microenvironmental
attributes such as concentration levels; (b) behavioral attributes such as activities of individuals in a
given microenvironment; and (c) biological attributes
such as gender, age, weight, body mass index, etc.
Evolution and Current Practice of
Exposure Modeling
Existing comprehensive inhalation exposure models
consider the movement of individual human subjects (actual or virtual), or of appropriately defined
cohorts, in space and time, as sequences of activity
or exposure events. In these sequences, each event
is defined by time, a geographic location, a microenvironment, and the activity of the subject. The U.S.
Environmental Protection Agency (EPA) has supported comprehensive efforts in developing models
implementing this general concept, and these
efforts have resulted in the National Exposure
Model and Probabilistic National Exposure Model5
(NEM/pNEM), Hazardous Air Pollutant Exposure
Model6 (HAPEM), Simulation of Human Exposure
and Dose System7 (SHEDS), Air Pollutants Exposure
Model8 (APEX), and Modeling Environment for
Total Risk studies9 (MENTOR) families of models.
Table 1 summarizes essential attributes of these
inhalation exposure models that currently also represent the state-of-the-art in the field. The overall
approach followed in these models in general
consists of the following components:
1. Estimation of the background or ambient levels
of the pollutants of concern via (a) spatio-temporal
Figure 2. For most people the
majority of exposures to airborne contaminants takes
place through contact and inhalation of chemicals in indoor
(residential or occupational) microenvironments. The air in
these microenvironments contains a complex mixture of contaminants including those
entrained from outdoor (ambient) air, those emitted indoors,
and those formed via chemical
transformations in indoor air
(e.g. ultrafine particles formed
from the interaction of entrained ozone with emissions
from household air fresheners
and solvents).
28 em october 2009
Copyright 2009 Air & Waste M anagement Association
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analysis of fixed monitor data; (b) emissionsbased air quality modeling applied in a coarse
resolution mode at the regional-to-urban scales;
or (c) a combination of model output and
observations.
2. Estimation of local outdoor levels of the pollutants
of concern. These levels would typically characterize the ambient air of either an administrative unit (such as a census tract) or a conveniently
defined neighborhood. This component can
also involve: (a) spatio-temporal statistical analysis
of local monitor data; (b) application of gridbased air quality models at their highest resolution (typically around 2-4 km); (c) application of
“sub-grid” scale modeling employing local-scale
dispersion models; or (d) “refinement” of the estimates of a regional model using schemes that
take into account subgrid variation in topography and land-use combined with considerations
of subgrid transformation and mixing processes.
3. Characterization of relevant attributes of the
individuals or populations under study include
residence and work locations, occupation, housing
data, income, education, age, gender, race,
weight, body mass index, and other physiological characteristics. These factors may affect
physical activities and intake rates and subsequent systemic uptakes of chemicals. This component of the exposure analysis can be pursued
by (a) assembling the required information for
each actual person to be considered in the
study, (b) selecting a fixed-size sample population of “virtual individuals” in a way that statistically reproduces essential demographics of the
administrative unit used in the assessment or (c)
dividing the population-of-interest into a set of
cohorts representing selected subpopulations and
defining one or more representative individuals
for each cohort.
4. Development of activity event or exposure event
sequences for each member of the sample population, or for each cohort, using study-specific
information or sampling from available timeactivity databases (such as EPA’s Consolidated
Human Activity Database10) with appropriate
matching criteria for the virtual subjects.
5. Estimation of levels and temporal profiles of
the pollutants in various specific outdoor and
indoor microenvironments such as street canyons,
roadway intersections, gas stations, school yards,
parks, residences, offices, schools, restaurants,
vehicles, etc. This is typically done through either
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(a) statistical analyses of observational datasets
(typically for indoor/outdoor relationships or for
vehicle/outdoor relationships) that produce microenvironmental factors; (b) simple microenvironmental mass balance models with or without
atmospheric chemistry; (c) simplified microenvironment-specific dispersion models, such as
street canyon models; or (d) detailed Computational Fluid Dynamics (CFD) models, possibly
combined with chemistry, for indoor and
outdoor microenvironments.
6. Calculation of appropriate inhalation rates for the
members of the sample population, combining
the physiological attributes of the actual or virtual
study subjects and the activities pursued during
the individual exposure events.
7. Calculation of target tissue dose through respiratory dosimetry modeling, if sufficient information
is available.
Figure 3. Background, local
outdoor, indoor, and personal
concentration levels of three
common air pollutants across
diverse geographical areas.
Shown are distributions of 48hour integrated indoor, local
outdoor, background outdoor
(concentrations from the nearest
ambient air quality monitor) and
personal air samples of target
compounds collected simultaneously from approximately 100
homes of non-smokers (and
with no attached garages), each
in Elizabeth, NJ, Houston, TX,
and Los Angeles, CA between
1999 and 2001 (data from 46).
The three contaminants shown
are benzene (representing a
non-reactive gas), formaldehyde
(representing a highly reactive
gas that is both emitted and
formed through atmospheric
photochemistry) and PM2.5.
The above components can be implemented in a
nested manner in order to characterize both
uncertainty and variability (intra-individual and
inter-individual) involved in the exposure and dose
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october 2009 em 29
Table 1. Comparison of typical features/attributes of comprehensive inhalation exposure models
pNEM
HAPEM
REHEX
APEX
SHEDS
MENTOR
Typical Spatial
Extent/Resolution
Urban areas;
Census tract
Urban/National;
Census tract
Urban areas;
Census tract
Urban areas;
Census tract
Urban areas;
Census tract
Urban areas;
Census tract
Typical Temporal
Extent/Resolution
Year:
Hour
Season;
3 Hours
Season;
Hour
Weeks to Year;
Hour/Minutes
Weeks to Year;
Hour/Minutes
Weeks to Year;
Hour/Minutes
Population Activity
Pattern Simulation
Top-down analysis
Top-down analysis
Top-down analysis
Bottom-up analysis
Bottom-up analysis
Bottom-up
“person-oriented”
Estimation of
Concentrations in
Microenvironments
(µE’s)
Mass-balance
Empirical indoor/
outdoor ratios
Mass balance
(steady-state);
dynamically
generated µE’s
Mass balance;
empirical ratios;
fixed µE’s
Mass balance
(steady-state); empirical ratios; dynamically generated µE’s
Mass balance; empirical ratios; indoor
chemistry; dynamically generated µE’s
Indoor Source Emis- Limited sources;
sions & Micro-envi- Probability
ronmental factors
distributions
Additive terms for
sources; Probability
distributions
Additive terms for
sources; Probability
distributions
User-defined
sources; Probability
distributions
Limited sources;
Probability
distributions
User-defined
sources; Probability
distributions
Uptake and Doses
NA
NA
Potential doses and
uptake
Potential doses and
uptake
Physiologically
based doses
Exposure Character- Population distribuization; Temporal
tions; Hourly
Resolution
Limited population
distributions;
Annual
Population distributions; Hourly
Population distributions; Hourly/
Minutes
Population distributions; Hourly/
Minutes
Population distributions; Hourly/
Minutes
Notes
Has been employed Proprietary
in developing NATA implementation
estimates
Follows “One
Atmosphere”
approach for mixtures of chemicals
Different implementations for specific
groups of chemicals
Follows “One
Atmosphere”
approach for mixtures of chemicals
Potential doses
Cohort-based
model; precursor
to APEX
assessment. In order to characterize the uncertainty
in estimates of distributions of exposures, these
calculations can be performed multiple times by sampling from distributions of corresponding inputs
and parameters representing the uncertainties.
In practice, the majority of past exposure modeling
studies have either incorporated only subsets of
these components, or treated some of them in a
simplified manner, often focusing on selected factors
affecting exposure. Of course, depending on the
objective of a particular modeling study, implementation of a selected subset may in fact be adequate. For example, outdoor levels of pollutants, in
conjunction with basic demographic information
such as residential and occupational locations and
commuting patterns of individuals, can be used to
calculate metrics of potential population exposures
associated with ambient air. Such metrics can be
useful in comparing alternative scenarios related to
different meteorology, emissions, etc. Though derived
metrics would not be quantitative indicators of total
human exposures, they can serve as surrogates
of population exposures associated with outdoor
air, and thus aid in regulatory decision making
concerning pollutant standards and in studying the
efficacy of emission control strategies. This approach
has been used in comparative evaluations of
regional and local emissions reduction strategies in
30 em october 2009
the United States.11
Air quality modeling plays a critical role in the steps
associated with characterizing background, neighborhood, and microenvironmental concentration
levels. Table 2 summarizes essential attributes of
widely used air quality models in relation to different
types of exposure characterizations. The next three
sections identify specific air quality modeling needs
from an exposure assessment perspective for
regional, urban, local and microenvironmental scales.
Air Quality Modeling Needs:
Regional and Urban Scales
Model/Data Assimilation
Ambient (outdoor) concentrations of pollutants
over a regional domain may be estimated either
through emissions-based mechanistic modeling,
ambient-data-based modeling, or a combination of
both. Monitored ambient air pollutant levels generally
reflect point measurements of atmospheric concentrations at individual locations near the ground.
Air quality models provide spatially-resolved
descriptions of pollutant concentrations across a
geographical domain, but the model outputs
reflect volume-average concentrations at each grid
cell and can be inaccurate due to inadequate
physics/chemistry of the model and errors in input
data. In practice, the availability and accuracy of
Copyright 2009 Air & Waste M anagement Association
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emissions inventories are often the limiting factors
in applying mechanistic atmospheric fate and transport models on regional levels. In addition, for pollutants capable of long-range transport, either a global
simulation must be done or boundary conditions
must be supplied to account for the effects of
sources outside of the region. Depending on the
pollutant of interest, uncertainties in atmospheric
chemistry, phase partitioning, and/or deposition
phenomena can also limit the accuracy of regional/
urban models.
Ambient-data-based models typically calculate spatial
or spatiotemporal distributions of the pollutant
through the use of interpolation schemes, which
include various Bayesian approaches. These schemes
employ deterministic or stochastic models for allocating monitor observations to the nodes of a
virtual regular grid covering the region of interest.
Geostatistical techniques such as kriging provide
various procedures for generating an interpolated
spatial distribution for a given time, from data at a
set of discrete points. However, kriging techniques
are severely limited by the non-stationary character
of the atmosphere and the resulting concentration
patterns of air pollutants and this lack of stationarity
requires semivariograms that change with time.12
Alternative approaches that interpolate monitor
data simultaneously in space and time should be
more applicable to air quality assessments.13, 14
Fusion of model outputs and ambient measurements
can be performed to improve the estimates of the
spatial distribution of pollutant concentrations.15
Such approaches include data assimilation methods16 or simpler hybridization approaches, using a
method such as kriging of the model error.17
Expansion of the One-Atmosphere Approach
As human (and ecological) exposure studies further
recognize the need for multipollutant assessments
that take into account synergistic effects of cooccurring contaminants, air quality models need to
provide information on an increasing number of
air pollutants, accounting for their emissions, transport, and fate, as well as their patterns of co-occurrence and interactions (i.e. a “one-atmosphere”
approach). Various steps have taken place towards
this objective, including the incorporation of new
versions of atmospheric chemistry mechanisms in
models such as CMAQ,18 EPA's national air quality
model, to consider a larger number of organic
compounds in addition to those affecting the levels
of criteria air pollutants. Furthermore, as biogenic
emissions of allergens such as pollen, fungal
spores, etc., are associated with similar endpoints
(such as asthma) as photochemical oxidants,19 it is
necessary to include them in future versions of
regional air quality models.
Table 2. Attributes of various air quality models, including Eulerian grid-based and Lagrangian/Gaussian dispersion models
AERMOD
HYSPLIT
Calpuff
HYPACT
HPAC
CAMx
CMAQ
Developer
AMS/USEPA
NOAA-ARL
EarthTech
Alliant Inc
DTRA
Environ
USEPA
Model Type and
Solution Scheme
Gaussian plume;
Analytical
Lagrangian puff
and particle dispersion; Eulerian
option; Discrete
Lagrangian puff
dispersion;
Discrete
Lagrangian particle dispersion;
Eulerian option;
Discrete
Lagrangian puff
dispersion;
Discrete
Eulerian grid; 3D
Finite Difference
Eulerian grid; 3D
Finite Difference
Chemical
Species/
Contaminants
Individual
chemicals (nonreactive)
Individual chemicals or specific
mixtures of
chemicals†
Individual
chemicals†
Individual
chemicals
Individual
chemicals
Mixtures of
chemicals‡
Mixtures of
chemicals‡
Chemical
Interactions
Linear decay of
single chemical
Optional chemistry modules†
Optional chemistry modules†
Linear chemical
transformations
Linear decay
Complex mechanisms (CB4,
RADM, SAPRC)
Complex mechanisms (CB4,
RADM, SAPRC)
Typical inhalation
exposure scenarios where model
is most
applicable
Hourly to longterm assessments; local to
urban scales
Short- to longterm assessments; urban to
regional scales;
regional emergency response
Hourly to longterm assessments; urban to
regional scales
Short-term highresolution assessments; local to
regional scales;
computationally
demanding
Short-term highresolution assessments; local to
urban scales;
local emergency
response
Episodic (few
days) to annual
assessments for
multiple pollutants; urban to
regional scales
Episodic (few
days) to annual
assessments for
multiple pollutants; urban to
regional scales
†Custom modules exist for specific groups of chemicals (e.g. mercury, dioxins, sulfate and photochemistry in HYSPLIT; and photochemistry in Calpuff).
‡CMAQ and CAMx consider complex photochemistry for multiple contaminants simultaneously. Terminology (a) for spatial scales: local (0-5 km), urban
(5 km to 50 km), and regional (> 50 km); (b) for time scales: short-term (minutes to days), long-term (annual to multi-year). Acronyms: CB4, Carbon Bond
IV; RADM, Regional Acid Deposition Model; SAPRC: Statewide Air Pollution Research Center.
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october 2009 em 31
Figure 4. (a) 24-h averaged
local outdoor concentrations
on July 19, 1999 for 482
urban Philadelphia, PA and
Camden, NJ census tracts, derived from hourly PM2.5 predictions of the Community
Multiscale Air Quality
(CMAQ) model that were
“downscaled” at census tract
level, using the Bayesian Maximum Entropy (BME) method;
(b) Corresponding 95th percentiles, calculated for each
census tract, of 24-h aggregated total inhalation doses
from both outdoor and indoor
sources. The color scheme
shows quantiles of the concentrations and dose distributions
(source: 2 reproduced with
kind permission from Springer
Science+Business Media).
32 em october 2009
Expansion of Multimedia Linkages of
Air Quality Models
The role of air quality modeling has been expanding
to support combined assessment of ecological and
human health risks. A representative example is
the application of models such as CMAQ (a gridbased photochemical air quality model (PAQM))
and HYSPLIT to study regional-scale transport of
mercury and its contribution to watershed loading.20, 21 An example of a tool linking CMAQ with
a watershed model is provided in Schwede et al.22
Linkages may be dynamic (on-line) or static (offline) depending on the pollutant, the phenomena
of interest, or the different media involved. The
relevant spatial and temporal scales in different
media can vary dramatically and the linking of
models must consider those differences. The linkage
of models for various media is in fact an emerging
science. Lammel et al.23 compared the predictions
of multimedia models of different levels of detail
for a set of non-ionic and moderately polar organic
chemicals and found that simpler mass balance
models tend to overestimate substance sinks in air
and to underestimate atmospheric transport velocity
due to neglect of spatiotemporal variability. The
need for spatially resolved models is especially
important for semivolatile chemicals that have
intermediate lifetimes and are therefore distributed
regionally rather than locally or globally while
cycling among various environmental media.
efficient characterizations of source–receptor relationships. Several techniques exist for developing
source attribution for modeled concentrations and
deposition, including approaches based on linear
superposition,20, 24 source elimination,25 and emissions tagging.26 The suitability, efficiency and intercomparability of different approaches depend on
the pollutant involved. Furthermore, several methods
for “inverse modeling” and diagnostic sensitivity
analysis can be applied to regional air quality models;
these include direct techniques such as the Direct
Decoupled Method (DDM),27 model adjoints,28
and surrogate techniques such as the High
Dimensional Model Representation (HDMR).29
These provide alternative means for assessing
model response without requiring simulations for
each combination of different variables. The DDM
requires the addition of equations for sensitivity
calculations to the original model source code, and
calculates local derivatives with respect to perturbations in input parameters such as emissions,
chemical reaction rates, and initial/boundary conditions. Similarly, model adjoints propagate perturbations, but for receptor-based metrics and
backward in time. HDMR techniques are applied
without alteration to the computational code model
and rely on a global response of the model to
changes in inputs.
Implementation of Diagnostic Tools
In an accountability framework, assessment and
management of exposures should be ultimately
related to source activities, whether the sources
are proximal or remote. Regional/urban air quality
models employed in this context can be enhanced
by diagnostic methods that allow computationally
Local (neighborhood or subgrid) spatial variability
is a major issue with respect to characterizing local
concentrations of contaminants in most exposurerelevant settings. For example, the fast rates of
reactions in photochemical systems result in significant concentration gradients in the vicinity of
sources (e.g. titration of ozone by NOx emissions
Air Quality Modeling Needs:
Local and Neighborhood Scales
Copyright 2009 Air & Waste M anagement Association
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in the immediate vicinity of roadways). These
gradients are not resolved directly by currently
available grid-based PAQMs such as CMAQ and
CAMx. “Plume-in-grid” options have been developed for both these models and they can be used
for large point sources (such as smokestacks) that
exist within a grid cell. Nevertheless, plume-in-grid
formulations will mostly resolve gradients in upper
atmospheric layers and thus are not necessarily
relevant to human exposure calculations, which are
affected by gradients caused by a multiplicity
of smaller ground-level or near-ground-level
combustion sources.
Currently PAQMs are typically applied with horizontal resolutions ranging from 2 km to 36 km
and a surface layer thickness that is of the order of
30 m. Though, computationally, it is possible to
further increase the resolution of these modeling
grids, there are theoretical limits imposed by
assumptions inherent in the formulation of governing equations for transport and transformation
in these models; therefore, a resolution of the order
of 2 km is the highest allowable by current gridbased PAQMs.30 Application of PAQMs to urban
domains is further complicated by urban topography,
the urban heat island, and other factors. It is beyond
the scope of the present discussion to overview the
various issues relevant to urban fluid dynamics and
related transport/fate processes of contaminants.
Various reviews of these issues and of available
approaches for modeling urban fluid mechanics
and dispersion are available.31,32
One way of accounting for subgrid concentration
gradients is the hybrid modeling approach,33, 34
where concentrations from a grid-based PAQM
(such as CMAQ) and a local plume dispersion
model (such as AERMOD) are added to provide
total contributions from regional transport/chemistry
and from local-scale dispersion. In such an approach,
it is important to avoid double counting sources in
the two models.35 Furthermore, since local dispersion models such as AERMOD cannot account for
photochemical transformation of contaminants, the
hybrid approach is expected to be more appropriate
for less reactive (e.g. benzene) rather than highly
reactive (e.g. formaldehyde) components of the
urban air pollution mix.
Air Quality Modeling Needs:
Microenvironmental Scale
In the context of modeling, exposure occurs in
“microenvironments”, or the outdoor, indoor, or
in-vehicle locations where individuals spend their
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time, where the ambient atmospheric concentration
value (monitored or modeled) is modified by the
immediate surroundings of the individual person/
receptor. General categories of microenvironments
include residential indoor, occupational indoor,
public indoor, vehicular, and outdoor.
Characterizing microenvironments can involve
modeling of various local sources and sinks and
transport/fate processes, and interrelationships
between ambient and microenvironmental concentration levels. Three general approaches have
been used in the past to model microenvironmental
concentrations: empirical (typically linear regression) fitting of data; parameterized mass balance
modeling; and detailed Computational Fluid
Dynamics (CFD) modeling.
Characterization of Outdoor
Microenvironments
Empirical regression analyses have been used in
various studies to relate specific outdoor locales
defined by land-use to spatial variability of pollutant
concentrations. For example, some studies36 use
regression analysis to assess the associations between
airborne concentrations and land-use variables such
as the area of open space, traffic count and distance
from nearest highway, the length of highways and
roads within a certain radius, population density, and
industrial land–use. However, various arguments
have been made regarding the value of using landuse regression modeling to assign exposure
classifications in large-scale epidemiologic studies.
Parameterized mass balance models for outdoor
microenvironments include various local roadway,
intersection, and street canyon models.37 Nearhighway pollutant dispersion models consider
vehicle wake parameterizations derived from
canopy flow theory and wind tunnel measurements to adjust the atmospheric velocity and
turbulence fields. Typically, in parameterized street
canyon models, concentrations of exhaust gases are
calculated using a combination of a plume model
for the direct contribution and a box model for the
recirculating part of the pollutants in the street.
Parameterization of flow and dispersion conditions
in these models is usually deduced from analysis of
experimental data and model tests that considered different street configurations and various
meteorological conditions.
Various CFD-based street canyon models have also
been developed in recent years (see the series of
International Conferences on Harmonization-
Copyright 2009 Air & Waste M anagement Association
october 2009 em 33
www.harmo.org), employing various alternatives
for local closure of the turbulent transport equations. Reviews and intercomparisons of such models
vis-a-vis field data are available.38
Characterization of Indoor
Microenvironments
Numerous indoor air quality modeling studies
have been reported in the literature; however,
depending on the modeling scenario, only a few of
them address physical and chemical processes that
affect complex air pollution mixtures (e.g. photochemical oxidants) indoors39-42. It is beyond the
scope of this discussion to review in detail the current status of indoor air modeling. Various studies
have compared the different formulations of zonal
(multicompartmental) models and of more complex, CFD, models.43
Some indoor air models have considered atmospheric chemistry, which can be especially important in the presence of indoor sources such as gas
stoves,44 while others considered potential limitations of uniform mixing assumptions.45 Both can
be important issues when calculating personal exposures and need to be addressed in conjunction
with improving indoor emission inventories.
Summary
Though existing inhalation exposure modeling
systems have evolved considerably in recent years,
the air quality models that provide the inputs to
these systems can be substantially improved from
the perspective of providing exposure-relevant
estimates of air quality metrics. Deriving from the
discussion in the previous sections, various specific
and evolving needs are summarized here:
• Ambient photochemical modeling systems are
not currently optimized for estimating pollutants
at the neighborhood scale. Therefore, practical
methods are needed for downscaling regional/
urban modeling estimates to neighborhood and
microenvironmental scales, with an emphasis on
consistency in linking and coupling models at
different scales.
• Microenvironmental modeling efforts need to
balance mechanistic detail and usability by
developing simplified but adequate models that
take into account mixing, and local indoor or
outdoor chemistry. These models can be developed either directly or as simplifications of detailed
CFD methods. For population exposure assessment, there is a need for computationally efficient
methods for modeling air quality dynamics in
representative realistic distributions of outdoor
34 em october 2009
and indoor microenvironments, in ways that
allow aggregation and statistical extrapolations
of results across the range of such microenvironments within a regional/urban model cell.
These approaches should utilize high-resolution
information in urban and suburban topography,
combined with detailed microinventories of
local emission sources.
• Comprehensive air quality models such as
CMAQ can be enhanced through incorporation
of, or linking with, additional modules for dynamic
soil, water, and other compartments. In the future,
exposure assessments can be substantially
improved through the development and application of comprehensive multimedia models
that address local, regional and global scales
and can be coupled with multi-pathway human
exposure models.
• Also, in light of the synergistic effects of cooccuring pollutants, there is a need for expanding
the range of airborne contaminants included in
the one-atmosphere approach to include allergens and other biological agents.47
Modeling frameworks for exposure assessment
in the past have typically focused on individual
contaminants and on subsets of their pathways and
sources of exposure, potentially neglecting significant
contributions from remaining pathways and sources.
In recent years, the focus of environmental human
and ecological health risk analyses, pursued by
both the research community and regulatory agencies, has been gradually shifting from considerations
of single to multiple contaminants and pathways.
In the future, integrative analyses that link environmental, behavioral, and biological considerations2 will allow increased accountability and more
realistic and accurate risk assessments. em
In Next Month’s Issue…
Advances in Pollution Control Technology
EM explores advances in control technology that will help
small utility boilers control SO2 emissions, help reduce
greenhouse gas emissions, add more effective controls for
nitric acid plants, and explain key technologies for mercury
emissions from industrial boilers.
Also look for…
• PM File
• Competitive Strategy
Copyright 2009 Air & Waste M anagement Association
awma.org
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