Air Quality Modeling

Model Vs Measurement
x

Model

Measurement

Air Quality Modeling

Areas that are not in
compliance with the Ambient
Standards should use modeling
to
Estimate the effects of growth
(and expected control
measures) on future air quality
Evaluate alternative/additional
measures
Demonstrate future compliance

 Modeling efforts for most

areas include:
scoping study to assess the
nature and extent of the
problem and data gaps/needs
collection and analysis of
meteorological, air quality,
emissions, and land-use data
development and
continued refinement of
modeling databases and
capabilities

Typical Air Quality Modeling Process

Conceptual Model Development
Select episodes and domains

Model
Evaluation

Prepare/refine inputs
Apply emiss, met, models
Compare model results to
measurements
Performance OK?
Yes
Prepare future-year emissions
Conduct future-year evaluations

No

Classification of Photochemical
Air Quality Simulation Models
Lagrangian
system that

employ a coordinate
moves with air parcels

Eulerian
fixed in

the coordinate system is

space

Hybrid

incorporate features of
Lagrangian types into a
framework

Eulerian

Eulerian vs. Lagrangian

Eulerian
Fixed coordinate
Focus on the statistical
properties of fluid
velocities
Eulerian statistics are
readily measurable
Directly applicable
when there are
chemical reactions
Closure problem no
generally valid solutions

Lagrangian
Moving coordinate
Focus on the statistical
properties of the
displacements of
groups of particles
No closure problem
Difficult to accurately
determine the required
particle statistics
Not directly applicable
to problems involving
nonlinear chemical
reactions

Eulerian Model

Eulerian
Model

Eulerian Model

Scheme Lagrangian Model

Lagrangian output
15/02/02 12TU 9.5-10.5km

19/02/02 12TU 8-9km

Lagrangian

Top-view of distribution of particles

San Diego harbor

1 km horizontal resolution

Meteorology: MM5 model;

Dispersion Model

444 m horizontal resolution

Dispersion: Lagrangian Random Particle

14

15

Lagrangian Models
Many Simplifying Assumptions
Produce a simple, closed-form
analytical expression
for diffusion
Do not require numerical integration
Invoke the Assumption of Air Parcel Coherency
Breaks down quickly not far from an
emissions source, especially in
complex wind flow situations
Cost-effective solution at relatively close ranges
for a relatively small number of sources

Lagrangian Models (continued)

Chemical interactions between puffs,
segments, or particles cannot be properly
treated
Readily produce source-receptor
relationships
Severe technical limitations especially for:
large numbers of sources
regional-scale transport
applications
photochemically reactive

Lagrangian Models (continued)

Gaussian Plume Models
The earliest air models
Invoke many simplifying assumptions to obtain
closed-form analytical solutions
Steady-state (i.e., time invariant)
Spatially uniform (homogeneous) dispersion
Plume coherency
Inert or first-order decay

Gaussian plume models are not capable of treating

photochemistry

Gaussian Plume Model

The simplest dispersion modeling Gaussian approximation for the

plume spread

Not applicable to regional scales complex terrain, convective

conditions, and ground-level sources.
20

Gaussian Dispersion Models

Most widely used
Based on the assumption
plume spread results primarily by molecular diffusion
horizontal and vertical pollutant concentrations in the
plume are normally distributed (double Gaussian
distribution)

Plume spread and shape vary in response to

Z
meteorological conditions

Q
u
Y
H
Fig 7.11
5/15/16

21

Model Assumptions
Gaussian dispersion modeling based on a
number of assumptions including
Steady-state conditions (constant source
emission strength)
Wind speed, direction and diffusion
characteristics of the plume are constant
Mass transfer due to bulk motion in the xdirection far outshadows the contribution due to
mass diffusion
Conservation of mass, i.e. no chemical
transformations take place
Wind speeds are >1 m/sec.
Limited to predicting concentrations > 50 m
downwind
5/15/16

22

Gaussian Dispersion Equation

Q
C x, y , z
exp
2 y z u

2
2

1 y
z H

2
2 y
2z

Atmospheric Stability Classes

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23

Lagrangian Models (continued)

Examples of Gaussian Plume models include:
ISC
COMPLEX
RTDM
AERMOD

Lagrangian Models (continued)

Gaussian Puff Models
Fewer simplifying assumptions
employ analytical solutions for each puff, but
computers are required to track the large
number of puffs
still retain the plume coherency assumption
a few have been developed for individual reactive
plumes,
e.g., RPM-IV
numerical solution methods are needed to solve
chemical
kinetics equations

Lagrangian Models

(continued)

Examples of Gaussian Puff models include:

CALPUFF
RPM-IV
SCIPUFF
SCICHEM

Eulerian (Grid) Model Concept

Processes Treated in a Grid Model

Emissions
Surface emitted sources (on-road and non-road mobile,
area, low-level point, biogenic, fires)
Point sources (electrical generation, industrial, other, fires)

Advection (Transport)
Dispersion (Diffusion)
Chemical Transformation
VOC and NOx chemistry, radical cycle
[For PM aerosol thermodynamics and aqueous-phase
chemistry]

Deposition
Dry deposition (gas and particles)
Wet deposition (rain out and wash out, gas and particles)

Photochemical Modeling Concepts

All Air Models Solve Some Form of the
Atmospheric Diffusion Equation (a complex
differential equation) that Relates Changes in
Pollutant Concentration to:
Advection (transport by the mean wind)

Turbulent diffusion
Chemical reaction
Deposition
Emissions

General Form of the Species

Conservation (Continuity) Equation:

Mathematical solution (integration) of general

forms of the diffusion equation is difficult -simplifying assumptions are required

Eulerian Grid Cell Processes

Coupling Between Grid Cells

Eulerian Models
Generally considered to be technically superior
allow more comprehensive, explicit treatment
of physical processes
chemical processes included
interactions of numerous sources
Require sophisticated solution methods
employ discrete time steps and operator
splitting
computational grid (hence the term grid
models)
relatively expensive to apply for long periods

Eulerian Models

(continued)

Subgrid resolution can be a limitation

as grid size and time step length are reduced
accuracy increases, but
computation time also increases

advanced grid models employ variable grid

spacing or nesting
improves accuracy in critical locations
allows cost effective application on urban to regional
scales
CAMx has flexi-nesting capability

Hybrid (Lagrangian/Eulerian)
Models
Incorporate features of Lagrangian models
into
grid model framework
overcome many of the sub-grid model
limitations
Overcome many of the prior practical
advantages of Lagrangian models,
through the development of:
variable (nested) grid resolution
source apportionment techniques
Capitalize on the availability of low-cost
high speed computers

Sub-Grid-Scale Plume Concept

CAMx GREASD PiG Concept

Hybrid Models

(concluded)

Examples of hybrid photochemical grid

models include:
MODELS-3/CMAQ
MAQSIP
UAM-V
CAMx

Modules in a Grid Model

Emissions Modeling System
EPS2x, SMOKE and EMS-2003

Meteorological Modeling System

MM5 and RAMS (SAIMM and CALMET)

Preprocessors for Other Inputs

TUV (photolysis Rates)
Initial Concentrations and Boundary Conditions

Air Quality Model

CAMx/PMCAMx, Models-3/CMAQ (UAM-V, MAQSIP)

Post-Processors and Visualization

Model Performance Evaluation (MAPS, CAMXtrct, Excel,
SURFER)
PAVE
Flying Data Grabber

General Model Summary

Photochemical grid/hybrid models have evolved as the preferred
means of addressing complex and nonlinear processes affecting
reactive air pollutants in the troposphere
These models invoke fewer assumptions but require high speed
computers and sophisticated numerical integration methods
Higher accuracies require more computer resources
Modern hybrid models utilize variable grid spacing (nested grids)
in combination with a Lagrangian puff sub-model to treat subgrid
resolution of plume dispersion and chemistry

Overview of the CAMx Regional

Photochemical Model

Simulates the physical and

chemical processes governing
the formation and transport of
ozone in the troposphere
three-dimensional, Eulerian (gridbased) model
requires specification of
meteorological, emissions, land-use,
and other geographic inputs
output includes hourly concentrations

CAMx Overview

(continued)

Mathematically simulates the following

processes:
emission of ozone precursors
(anthropogenic and biogenic)
advection and diffusion
(transport)
Photochemistry
deposition

Example of a Multiply Nested CAMx

Domain: Denver 8-hr EAC Study
4-km grid
36-km grid

12-km grid

1.3-km grid

CAMx Model Formulation

uci vci wci
ci

t
y
z
x
Change in = Advection by Winds
Concentrati
on
c
c

KH

K H

ci
KV

z
z

Turbulent
Diffusion

+ Ri + Si + Li

Chemical Emissions Surface

Removal/Depositi
Reaction
on

CAMx Modeling System

Features
Carbon-Bond-IV chemical mechanism with
enhanced isoprene and toxics chemistry
Two-way interactive nested-grid
capabilities
Plume-in-grid (P-i-G) treatment
Accepts output from a variety of dynamic
meteorological models

CAMx Input Requirements

Meteorological Inputs
Three-dimensional winds
Three-dimensional temperatures
Three-dimensional water-vapor concentration
Surface pressure
Three-dimensional vertical diffusivity (effective
mixing height)
Two-dimensional cover
Rainfall rate

CAMx Inputs

(continued)

Emissions Inputs
Low-level anthropogenic emissions

Point sources
Area sources
On-road motor vehicles
Non-road sources

Elevated point source emissions

Biogenic emission estimates

CAMx Inputs

(continued)

Air quality related input files

Initial conditions (all grids, initial hour)
Boundary conditions (outermost grid, all
hours)

Chemistry input files

Chemical reaction rates
Photolysis rates

Geographic/other input files

Land-use, Land-cover
Albedo, turbidity, and ozone column

Regional Scale Ozone Tile Plots

Daily Maximum 8-hr Ozone Concentrations (ppb) on 31 July 2001

Over the Eastern United States: 36 km CAMx Grid Domain

Local Scale Ozone Tile Plots

Daily Maximum 8-hr Ozone Concentrations (ppb) on 3 Aug 2000 Over

The San Juan Basin/Four Corners Region: 4 km CAMx Grid Domain

Ozone Time Series Plots

Hourly Ozone Concentrations (ppb) on at Mesa Verde National Park

For 31 July 4 August 2000 Over the San Juan Basin/Four Corners Region

Ozone Time Series Plots

Hourly Ozone Concentrations (ppb) on at Substation For 31 July to

4 August 2000 Over the San Juan Basin/Four Corners Region: 4 km Grid

Hourly Ozone Scatter Pots

Scatterplot of Hourly Ozone Concentrations (ppb) on 22 June 2001

Over Lower Lake Michigan: 4 km CAMx Grid Domain

Quartile-Quartile Ozone Plots

Q-Q Plot of Hourly Ozone Concentrations (ppb) on 24 June 2001

Over Lower Lake Michigan: 4 km CAMx Grid Domain

CAMx 3-D Animation

Case Study:
Jakarta city, Indonesia

Publications:
Asep Sofyan, T. Kitada, and. G. Kurata, Numerical Study of NOx and SOx
Dynamics under Land/Sea Breezes in Dry Season in Jakarta, Indonesia,
Journal of Global Environment Engineering, Volume 13, 2008, pp. 69-96.
Kitada T., Asep Sofyan, and Kurata G.(2008) Numerical simulation of air
pollution transport under sea/land breeze situation in Jakarta, Indonesia in
dry season. Air Pollution Modeling and its Application XIX, C. Borrego and
A.J. Miranda (eds.), 243-251, Springer.
Asep Sofyan, T. Kitada, and. G. Kurata, Difference of Sea Breeze in Jakarta
Between Dry and Wet Seasons: Implication in NO 2 and SO2 Distribution in
Jakarta, Journal of Global Environment Engineering, Volume 12, 2007, pp.
63-85.

Back Trajectory
Techniques in Air Pollution
Trajectories: the paths of infinitesimally small
particles of air as they move through time
and space.
Such fluid particles, marked at a certain
point in space at a given time, can be traced
forward or backward in time along their
trajectory.
Backward (back) trajectories:
indicate the past path of a particle

Forward trajectories:
indicate the future path of a particle

Example Back Trajectory

recept
or

7-day Back trajectories from the ship

(receptor) have been calculated using
the HYSPLIT 4 model (HYbrid
Single-Particle Lagrangian Integrated
trajectory).

Applications of Back Trajectories

Synoptic meteorology
Investigate air mass flow around mountains
(Steinacker, 1984)

Climatology

Environmental Sciences

Identify pathways of water vapor transport

(DAbreton and Tyson, 1996) or desert dust
(Chiapello et al., 1997)
Establish source-receptor relationships of air
pollutants (Stohl, 1996a)

Law Enforcement

Combine with pollen measurements to find possible

locations of marijuana cultivation (Cabezudo et
al.,1997)

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66

Air Quality Research

Data collection: Emission
inventory
Management: Scenario and
policy for transportation,
industry, forest fire
Climate change: co-benefit
Impact: Health, Plant
Measurement: gas,
particulate,black carbon