University of Houston Air Quality Modeling and Monitoring Projects

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University of Houston Air Quality Modeling and
Monitoring Projects
Daewon W. Byun Geosciences
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Mission

• Develop and apply state-of-science air quality
  and environmental models
• Assist assessment of environmental regulations
  and policies of the local, regional, national,
  and international implications
• Educate next generation of environmental
  scientists

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(External non UH mission)
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EPA cooperative agreement
Pis Haymet, He, Amundson

• Projects to help Houston/Texas Air Quality
  Community and Agencies
• CAMx modeling for the Houston-Galveston area
• 1993 episode tested for CAMx V2 V3
• 2000 ozone episode underway
• Build emissions modeling capability
• SMOKE processing of TNRCC and EPAs emissions
  inventories
• Targeted to supply emissions modeling data

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EPA cooperative agreement
(continued)

• Exploratory Research
• Evaluation of Russian Atmospheric Dynamics with
  On-line Chemistry model for Houston-Galveston
  area
• Development of advanced aerosol thermodynamics
  module to be used in comprehensive AQMs
• Development of high-resolution finite element air
  quality modeling techniques

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2002 TNRCC Projects (PI Byun)

• Umbrella contract to assist TNRCCs air quality
  modeling needs
• Development of air trajectory analysis tool for
  TexAQS data analysis
• Hysplit trajectory tool
• Web-based user interface
• Algorithm study

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Photochemical Modeling Technical Committee
Members NAME REPRESENTING Dave Allen University
of Texas at Austin Ramon Alvarez Environmental
Defense Fund Dan Baker Equilon Entreprises
LLC Rob Barrett Harris County Pollution Control
Division Pamela Berger Mayors Office, City of
Houston Craig Beskid National Urban Air Toxics
Research Center Daewon Byun Department of
Geosciences, University of Houston Hsing-wei Chu
Lamar University Walter Crow URS Radian Alex
Cuclis Environmental Institute of Houston Mike
Cybulski Clean Air Engineering Bruce C.
Davis Doug Deason ExxonMobil Chemical
Company John Dege USA DuPont Tom Diggs U.S. EPA,
Region VI Jon Fisher Texas Chemical Council
Richard Flannery TNRCC, Region 12 Candy Garrett
TNRCC Monica R. Gaudet Metropolitan Transit
Authority Reza Golkarfard Houston Galveston Area
Council Dennis Griffith Granherne Inc. K Hackett
HGAC John Hall Regional Research Consortium Alan
Hansen EPRI Tony Haymet University of Houston
Clear Lake Al Hendler URS Corporation Liz Hendler
Business Coalition for Clean Air T. F.
Henken April Hinson DuPont David Hitchcock The
George and Cynthia Mitchell Center for
Sustainable Development Thomas Ho Lamar
University Robert E. James TNRCC, Region 12 S.C.
Kilpatrick Dow
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Photochemical Modeling Technical Committee
Members NAME REPRESENTING Alan J. Krol BP America
Inc. John Kush Reliant Energy Jane Laping City of
Houston Carole Lenz Commissioner Radack, Harris
County, RAQPC, H-GAC Jacqueline Lentz City of
Houston Jim Lester University of Houston Fred
Manhart Entergy Gene McMullen Bureau of Air
Quality Control, City of Houston Susan Moore
BP Quang Nguyen EPA Robert Nolan Exxon
Mobile Greater Houston Partnership Bradley Oehler
TNRCC Hans C. Olavson Barbara Pederson
DuPont Charles E. Pehl Pehl Environmental
Consulting Karl Pepple HGAC Garry W.
Phillips Chris Rabideau Eguilon Dick Robertson TXU
Charles Schleyer ExxonMobile Diane Sheridan Gary
Scoggin George Smith Sierra Club Steve Smith
Lyondell Equistar Erik Snyder U.S. EPA, Region
VI Leonard Spearman TNRCC (Region 12) Randall N.
Stowe Dow Chemical George Talbert Lamar
University T.W. Tesche Alpine Geophysics Ellen
Treadway Usha-Maria Turner TXU Melvin R.
Vyvial Lilly Wells HGAC Alan R. Weverstad Mike
White Shelley Whitworth HGAC John Wilson
GHASP Jim Yohn BP America, Inc. Steve Ziman
Chevron
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INTERIM SCIENCE COORDINATING COMMITTEE Members of
Executive Committee, Steering Committee, Work
Groups and Synthesis Team EXECUTIVE
COMMITTEE NAME AFFILIATION Allen, David
University of Texas Austin Alvarez, Ramon
Environmental Defense Byun, Daewon University of
Houston Cowling, Ellis North Carolina State
University Deason, Doug ExxonMobile Chemical
Company Donaldson, Guy U.S. EPA, Region
6 Nielsen-Gammon, John Texas AM
University Nolan, Robert Houston Regional
Monitoring Corp/ExxonMobil/Greater Houston
Partnership Talbert, George Texas Hazardous Waste
Center Thomas, Jim TNRCC, Committee Chairman
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2002 TNRCC Projects (continued)

• Comparison of CAMx and EPAs Models-3 CMAQ
• to understand key atmospheric processes affecting
  HGA air quality
• MM5 Simulation (TAMU UH w/ LSM)
• Emissions processing w/ SMOKE
• CMAx emissions as CMAQ input

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TARC Project Photochemical modeling of ethylene
and propylene emissions speciated chemical
mechanism and inventory

• Characterize if EPAs state-of-science Models-3
  CMAQ can identify THOEs.
• Compare mechanism differences between CB-4 and
  SAPRC99
• AQM simulations with high-resolution Space
  Adaptive Finite Element (SAFE) submodel in CMAQ
  to resolve unsaturated HC emissions intensity in
  the Ship Channel (Leverage with UH/EPA funding)
• Develop recommendations to enhance the capability
  of AQMs enabling THOE simulations

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What does current data say?

• Huge advance due to TexAQS 2000

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0830 1300 CDT
0830 1200 CDT
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0830 1500 CDT
0830 1400 CDT
This picture may not be right
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0830 1700 CDT
0830 1600 CDT
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Airborne LIDAR Ozone Aug 30, TexAQS 2000
Senff et al., 2001
From Accelerated Science Evaluation of Ozone
Formation (Allen et al., 2001)
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TexAQS Aug 30, 2000, Ellington Site
Wind Profiler Analysis by ETL, NOAA
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TexAQS Aug 30, 2000, Houston Site
Wind Profiler Analysis by ETL, NOAA
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Backward Trajectory ending at Deer Park (10m)
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Sather, EPA Region 6

• Houston Deer Park (4 ppbC mean formaldehyde, 3
  ppbC mean acetaldehyde)
• Houston sites recorded the highest mean
  concentrations for 14/18 (78) of species
  examined.
• High morning concentrations of ethylene and
  propylene (both significantly reactive and
  important to ozone formation) at Houston Clinton
  and Deer Park sites

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Sather, EPA Region 6
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Unsaturated Hydrocarbon Photochemistry

• Ethene reactions
• with

• Propene reactions
• with

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Ryerson et al 2001, NOAA
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Alkenes emissions uncertainty huge! Upset or
operational characteristic?
Ryerson et al 2001, NOAA
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Problem Statement

• TexAQS 2000 campaign and historic O3 data
  analysis have identified massive and frequent
  spikes of ozone (THOEsTransient High Ozone
  Events)
• They appear to be associated with large releases
  of reactive unsaturated hydrocarbons
• Models with standard emissions often miss the
  observed peaks

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Tasks for the research

• SAPRC99 mechanism implementation in CMAQ
• Emissions processing with SMOKE
• Characterizations of ethene and propene emissions
  in the Ship Channel (w/ TNRCC)
• High-resolution SAFE submodel implementation
• Sensitivity runsgrid resolution and mechanism
  interactions at the presence of emissions
  uncertainty
• Analysis and comparison with TexAQS data
• Recommendation for AQM configuration

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Obtain old and New Base Emissions Inventory from
TNRCC
Courtesy of TNRCC
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High-Resolution Modeling Space Adaptive Finite
Element (SAFE) grid inside Eulerian grid domain

• Assess geographical features
• Land-sea boundary
• Urban/Industrial areas
• Vegetation
• Road network

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topography
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and emissions distributions. Then,
determine boundary cells in the Eulerian Grid
Meteorology interpolated from
4km Emissions-reprocessed on SAFE grid
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SAFE
Efficient Computational Data Structure
Compatible with Eulerian grid system
Can use Models-3 I/O API tools
Easy parallel computer implementation
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CMAQ Flow Diagram
SAFE Replaces Plume-in-Grid
We can safely model multiple large point sources
in urban and industrial complex areas
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Project 1 (EPA) Effects of Multiscale
Interaction of Long Range Transport and Chemistry
on Urban Air Quality

• Objectives
• to advance air quality modeling techniques for
  multiscale interactions of pollutant transport
  and chemistry and
• to assess the influence of the background ozone,
  CO, SO2, and dust/smoke particulates on Texas
  urban air quality
• To address regional climate impact on air quality

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Project (EPA) Effects of Multiscale Interaction
of Long Range Transport and Chemistry on Urban
Air Quality (continued)

• Collaboration with Asia trans-Pacific air
  pollutant transport
• Japan (I. Uno, S. Sugata, Ohara)
• Korea (C.B. Lee, J. Oh, etc)
• Taiwan (N-H. Lin)
• China (M. Zhang)
• Collaborate with EPA OAQPS (Carey Jang)
• GEOCHEM (Harvard) Linkage to CMAQ
• Emissions from biomass burning (U. Iowa and ANL)
• Stratospheric and tropospheric ozone exchange
  (SAIC F. Vukovich)
• Transboundary transport (e.g., Mexico-Texas)

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Satellite pictures showing aerosol index in for
Central America and Saharan dust, respectively.
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Project Participate Development of WRF

• Byun is Science Board member of NCAR/NOAA/Air
  Force/etcs U.S. Weather Research and Forecasting
  model development project and a member of the
  WRF-chemistry working group
• WRF-transport characterization
• WRF-Chemistry modeling
• Development of on-line/off-line air quality
  modeling capability
• WRF-Urban canopy modeling
• Development of urban canopy model in WRF

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WRF Science Board
Team Members
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WRF Science Board
Team Charge

• Provide ST advice and guidance to WRF
  development
• Identify research and operational group needs
• Identify new ST capabilities to meet group needs
• Help resolve WRF development issues
• Assess WRF Plans
• Prioritize needed ST capabilities
• Advocate/inform Community on WRF developments

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Mission of WRF-chemistry(WRF-Chem group)

• Development of on-line chemistry transport model
  within the WRF model
• Its uses include
• forecasting chemical-weather,
• testing air pollution abatement strategies,
• planning and forecasting for field campaigns,
• analyzing measurements from field campaigns
• and the assimilation of satellite and in-situ
  chemical measurements

UH intends to develop both an on-line and an
off-line WRF-chemistry model based on EPA
Models-3 CMAQ
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Why Models-3 CMAQ ?
EPA Models-3 CMAQ

• Models-3 CMAQ has a flexible software framework,
• A third generation air quality modeling and
  assessment tool
• Designed to support air quality modeling
  applications ranging from regulatory issues to
  inquiries on atmospheric science processes
• Many components are well tested
• Considerable air quality user base
• EPA sponsored Community Modeling and Analysis
  System (CMAS)
• States, universities, consulting companies
• International communities

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Why Models-3 CMAQ ?
Focuses of WRF-chemistry development

• Dynamical model formulations
• Planetary boundary layer parameterizations
• Convective transport
• Coupling clouds and chemistry
• Cloud microphysics
• Chemical mechanisms and chemical solvers
• Dry deposition
• Emissions
• Photolysis rates
• Aerosols

Parameterizations of sub-grid convective clouds
and grid-scale resolved clouds
Models-3 CMAQ has already sophisticated
treatments on many of the dynamical and physical
processes
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Re-use many CMAQ components
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Development of WRF-CMAQ interface
Tests of off-line WRF-CMAQ
Development of new treatments of physical and
dynamical processes for on-line WRF-CMAQ
Development of On-line WRF-CMAQ
Evaluation of On-line WRF-CMAQ
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Development Issues for WRF-CMAQ (1)

• Dynamics
• Evaluation of advection and diffusion schemes
  of both
• WRF and CMAQ on height and mass coordinates
• PBL Parameterization
• Implementation of MRF scheme used in WRF to
  CMAQ
• Urban-canopy parameterization
• Collaboration with Dr. Jason Ching at EPA
• FDDA in WRF-CMAQ
• Investigation of necessity of FDDA in WRF-CMAQ

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Development Issues for WRF-CMAQ (2)

• Cloud Effects on Chemistry
• Evaluation and implementation of appropriate
  sub-grid convective parameterization and
  grid-scale resolved cloud parameterization in
  both on-line and off-line paradigm
• ? mainly focusing on vertical redistribution
  of chemical species, cloud microphysics-chemistry,
  aqueous chemistry, and wet deposition

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Development Issues for WRF-CMAQ (3)

• Aerosols (during second-phase, with EPA, etc)
• Development treatments of
• - new aerosol thermodynamics code
• - interaction between aerosols and radiation
• - interaction between aerosols and clouds
• I/O API (Who?)
• For seamless on-line/off-line operation

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• Development of MCIP for WRF-CMAQ

• Main focus of the development of off-line
  WRF-CMAQ
• Base code MCIP2 (the latest version of MCIP,
  Fortran90 base)
• Implement pass-through option as much to preserve
  WRF computation
• The processing sequence of MCIP for WRF is
• (1) GETMET reads and extracts meteorology data
  from WRF output
• for the CCTM window domain, converts variables
  into SI units
• and process special files
• (2) PBLPKG/PBLSUB when pass-through option is
  not used, computes PBL parameters using
  diagnostic method

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• Development of MCIP for WRF-CMAQ (continued)

• (3) BCLDPRC_AK computes diagnostic convective
  cloud parameters
• (only for no pass through case)
• (4) SOLAR computes solar radiation parameters
• (only for no pass through case)
• (5) RADMDRY/M3DDEP computes dry deposition
  velocities
• (6) METCRO_OUT METDOT_OUT computes additional
  meteorology data required for the generalized
  CTM, interpolates mean profile data into
• finer grid resolution if needed, and output
  Models-3 I/O API
• meteorology files

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• Characterize transport algorithms
• Tracer mass conservation under height and mass
  coordinates
• Numerical diffusivity, peak conservation

(1) WRF advection scheme (2) CMAQ advection
schemes (PPM, Botts, etc) (3) Horizontal
diffusion (4) Vertical diffusion K-theory,
TKE, Non-local schemes (MRF, ACM) (5)
Particle-in-cell advection and diffusion
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CMAS Community Modeling and Analysis System
The US EPA has funded the MCNC Environmental
Modeling Center (EMC) to establish a Community
Modeling and Analysis System (CMAS) for Models 3.
The CMAS is an approach to the development,
application, and analysis of environmental models
that leverages the community's complementary
talents and resources in order to set new
standards for quality in science and in the
reliability of the application of the
models.   From research to application to
outreach, the goal of the CMAS center is to
advance the community modeling paradigm through
the establishment of a centralized resource to
serve the members of the environmental modeling
community
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CMAS External Advisory Committee (EAC)
Canadian Weimin Jiang National Research
Council Canada Consultants Ralph Morris
ENVIRON Consultants Christian Signeur AER
EPA OAQPS Mark Evangelista EPA EPA OEI
Darrell Winner EPA Headquarters, OEI EPA ORD
Gary Foley EPA EPA ORD, alternate Ken Schere
EPA ORD EPA Region Alan Cimorelli USEPA
REGION 3 Expert Users Neil Wheeler Sonoma
Technology Incorporated Industry Alan Hansen
EPRI Industry David Chock Ford Research
Laboratory International Richard Derwent
Climate Research Division, Met Office Regional
AQ plan John Vimont National Park Service
Regional AQ plan Mike Koerber LADCO State
Agency Pete Breitenbach TNRCC State Agency
Ajith Kaduwela CARB State Agency Sheila
Holman Division of Air Quality, NC DENR
University Daewon Byun University of Houston
University Harvey Jeffries University of
North Carolina
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October 21-23, 2002 EPA Research Center at the
beautiful new RTP Campus Building C, Main
Campus Research Triangle Park, NC
CMAS Workshop
Event Date Day Time Location SMOKE Training Oct
16, Oct 17,18 Wed., Thurs., Friday MCNC
Training Center Models-3 Users' Workshop Oct
21 Oct 22, Oct 23, Monday, Tuesday(reception),
Wed. EPA Research Center Auditorium Models-3
Java-based Framework Tutorial Oct 23 Wed.
100pm-500pm EPA Research Center Auditorium
SMOKE Lecture Tutorial Oct 23 Wed. 100pm-500pm
EPA Research Center Classroom CMAQ Tutorial Oct
24, 25 Thurs., Friday 830am-530pm MCNC Training
Center
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Near Future Projects
New EPA proposal Development of Joint Multi
Pollutant Air Quality Modeling Facilities and Air
Monitoring Stations for Houston-Galveston
Metropolitan Area
University of Houston Lead PI Daewon W.
Byun Texas AM Lead PI John Nielson-Gammon Univer
sity of Texas Lead PI David Allen
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New EPA Project

• Development of Joint Modeling Facility. The joint
  modeling facility will provide a common
  infrastructure for synergistic collaboration of
  integrated air quality research for HG area (UH,
  UT, TAMU)
• Air quality forecasting at urban and regional
  scales
• High Performance Computing and Communication
• Additional Beowulf systems, massive storage
  system
• 2. Development of Chemical Flux Air Monitoring
  Stations. This project targets to set up air
  monitoring stations to measure and study
  turbulence and chemistry interactions and size
  dependent PM deposition (TAMU, UH, UT)
• UH will develop atmospheric measurement
  capabilities
• Wind profilers (2), Tethersondes (2), towers
  (2-3)
• Surface/soil heat/moisture/chemical flux
  measurement

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New EPA Project
3. Development of Particulate Matter Modeling.
This is a joint study between UH and UT, each
developing new particulate matter (PM) modeling
techniques to study inorganic and organic aerosol
formation and transport issues. (UH,
UT) Implementation of new aerosol modules in
CMAQ needed!
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New EPA Project

• 4. Prototype Eulerian Modeling of Local Scale Air
  Toxics. This project will build a prototypical
  Eulerian air toxics modeling tool linked to an
  exposure model for neighborhood scale hot spot
  analysis. (UH)
• Urban canopy and fine scale atmospheric flow
  characterizations for the air quality
  applications
• For criteria pollutants
• For air toxics
• Urban security concerns
• Linking AQ modeling and 4-D assimilated air
  quality data
• for the human exposure research
• Multi-media environmental modeling

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New EPA Project
5. Metropolitan and Regional Scale
Meteorological Modeling. This project will
develop modeling techniques to improve land/sea
breeze simulations. (TAMU) 6. Investigation of
Tropospheric Chemistry. This project consists of
the investigation of tropospheric chemistry and
the development of novel detection and monitoring
techniques. (TAMU) 7. Texas Air Quality Study
Database Development. This project will develop a
publicly available web-based database for the
data collected as part of the Texas Air Quality
Study. (UT)
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2003 TNRCC Projects (PI Byun)

• Umbrella contract to assist TNRCCs air quality
  modeling needs (potential topics)
• Analysis to determine the reasons for the
  differences in the meteorological fields imported
  into photochemical grid models from MM5 and RAMS
  run on the same episode.
• Use Kalman filtering technique with CMAQ to
  evaluate emissions uncertainties of highly
  reactive olefins.
• Further development and application of trajectory
  analysis capabilities for the upper Texas Gulf
  Coastal area.
• Assess sensitivity of results from current air
  quality simulation to mobile emissions components
  after point source NOx controls are in place.

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2003 TNRCC Projects

• Need to compete
• Carry out a shootout to determine the best
  methodology for determining the wind fields in
  the Houston area using routinely available data.
  Then carry out a shootout to determine the best
  way to calculate trajectories routinely for
  Houston. Use that method to calculate
  trajectories for each hour for which there is
  auto-GC data.
• Use the trajectory information in multivariate
  analysis to help determine the contribution of
  sources and source areas to the measured ozone
  forming potential in air with high ozone forming
  potential.

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2003 TNRCC Projects

• Need to compete
• Olefin analysis by aircraft monitoring using a
  continuous olefin monitor plus canister sampling
  and analysis throughout the 2003 ozone season.
• Support development of a formaldehyde monitor to
  operate aboard an aircraft during 2003 ozone
  season in conjunction with continuous olefin
  monitoring, canister sampling and analysis, and
  NOx, NOy, and ozone monitoring. If a
  semi-continuous monitor is not certain to be
  available, evaluate use of a system to collect
  large (Teflon ?) bag samples simultaneously with
  canister samples then use a carbonyl cartridge to
  sample carbonyls from the air in the bag.

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2003 TNRCC Projects

• Need to compete
• Assess the feasibility of measuring the flux of
  multiple volatile organic compounds (VOCs)
  through vertical planes upwind and downwind of
  industrial facilities. The flux needs to be
  measured to determine whether the bottom-up
  emission measurements and estimates are capturing
  most or all the emissions from a facility.
  The compounds for which the flux needs to be
  measured including ethylene, propylene,
  1,3-butadiene, the butenes, that rest of the
  proposed "big twelve" and other compounds under
  consideration. If the assessment indicates
  that one or more methods will have acceptably
  small uncertainty, proceed to field trials.

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2003 TNRCC Projects

• Need to compete
• Event triggered sampling of VOCs and carbonyls at
  ten sites in the Houston area to learn more about
  the composition of VOCs associated with rapid
  ozone rises and unusually high ozone
  concentrations in Houston. Alternatives to be
  considered include expansion of auto-GC
  monitoring and/or addition of ozone event
  triggered carbonyl cartridge monitoring in
  conjunction with auto-GCs
• Use of inert tracers to help resolve
  discrepancies between ambient measurements and
  emission estimates. Current thinking is that the
  first effort to be considered would be as a
  conservative tracer at an isolated site so that
  total emissions of each compound could be
  determined by ratioing each chemical emitted to
  the known rate of tracer release. Lagrangian
  chemical modeling of reactions would be necessary
  if reaction of emissions were significant.

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