Atmospheric Chemical
Mechanisms
December 10-12, 2008
The ARC, University of California Davis
Preliminary Program as of October 15, 2008
Wednesday – December 10, 2008
7:30 – 8:00 REGISTRATION and CONTINENTAL BREAKFAST
8:00 – 8:15
Welcome & Introductions
Anthony Wexler, UC Davis
Ian Barnes, University of Wuppertal
8:15- 9:00
PLENARY LECTURE I
Recent Developments in Gas Phase Chemical Mechanisms
Mike Jenkin, Imperial College London
9:00
SESSION A
UNCERTAINTIES IN CHEMICAL MECHANISMS: CURRENT STATUS
AND IMPORTANT ISSUES
MODERATOR: Paul Ziemann, University of California, Riverside
This session will include mainly basic gas phase chemistry and some contributions on theory which aid mechanism
development. Advances in aromatic hydrocarbon chemical mechanisms and biogenic mechanisms will feature prominently.
Contributions on the chemistry of organic nitrates/ hydroperoxides are especially welcome, including new emerging
methodologies for measurement of intermediates and products which will help improve mechanism elucidation and gas
phase sources of HONO.
9:00-9:20
Recent Advances in Aromatic Hydrocarbon Gas Phase Mechanisms
Ian Barnes, University of Wuppertal
9:20 – 9:40
Uncertainties in Ozone / Terpene Mechanisms
George Marston, University of Reading
9:40- 10:00
Theoretical Studies of (Sesqui) Terpene Oxidation Systems
Luc Vereecken, University of Leuven, Belgium
10:00 – 10:20
BREAK
10:20 – 10:40
Evaluation and Reduction of a Detailed Chemical Mechanism for
Alphapinene Degradation and Subsequent Secondary Aerosol Formation
Karl Ceulemans, IASB-BIRA
10:40 – 11:00 Are the Alkyl Nitrates Reservoirs or Sinks of Reactive Nitrogen?
Zhongming Chen, Peking University
11:00 – 11:45 PLENARY LECTURE II
NEW CHEMISTRIES – EVIDENCE FROM FIELD EXPERIMENTS
Andreas Hofzumahaus, Jülich Research Center
11:45 – 1:15
LUNCH
1:15
SESSION B
NEW EVOLVING CHEMISTRIES
MODERATOR: Theo Brauers, Jülich Research Centre
This session will cover new issues raised from recent field experiments and modeling studies such as i) the proposals of OH
formation from isoprene derived organic peroxy radicals, ii) the fate of nitrate radicals in isoprene oxidation, which
significantly affect NOx and ozone formation, iii) satellite observations of carbonyls, e.g. how existing mechanisms cope
with simulating HCHO and glyoxal and iv) observations in polluted urban scenarios, e.g. Mexico City. While the focus of
the session is gas phase, observations of organic aerosol, e.g. OOA vs. HOA, BSOA vs. ASOA, might also be addressed.
1:15 – 1:35
Uncertainties in Radical Production, Oxygenates, and SOA Formation
Rainer Volkamer, University of Colorado at Boulder
1:35 – 1:55
Cloud Processing
Barbara Turpin, Rutgers University
1:55 – 2:15
Reactive Nitrogen Partitioning and Ozone Production in the Mexico City
Urban Plume
Anne Perring, University of California Berkeley
2:15 – 2:35
Sensitivity of Ozone in Houston to New Radical Source Reactions
Greg Yarwood, Environ Corporation
2:35 – 2:55
The NO2 Issue
Geoff Tyndall, University Corporation for Academic Research
3:00 – 3:20
BREAK
3:20
SESSION C
GAS PHASE TO SECONDARY ORGANIC AEROSOLS
MODERATOR: Rainer Volkamer, University of Colorado at Boulder
This session will explore experimental and modeling investigations on the evolution of gas phase low-volatility organics
which lead to or promote secondary organic aerosol formation. Issues relating directly to mechanisms for semi-volatiles,
oligomer formation and the role of small organics in SOA formation may be addressed as well as phase transfer and surface
processes.
3:20 – 3:40
Chemical Mechanisms of SOA Formation from Alkanes and Alkenes
Paul Ziemann, University of California, Riverside
3:40 – 4:00
Organic Aerosol in the Greater-Edmonton Air Shed: Primary and Secondary
Components and their NOx Dependence
Craig Stroud, Environment Canada
4:00 – 4:20
A Vapor Pressure Model Including Group-Group Interactions: Impact on
Secondary Organic Aerosol Yield
Steven Compernolle, Belgian Institute for Space-Aeronomy
4:20 – 4:40
Representative Semi-Volatile Components in Atmospheric SOA Formation
Gordon McFiggans, University of Manchester
4:40 – 5:00
Photosensitized Heterogeneous Ozone Processing on the Organic Coatings in the
Atmosphere
Sašo Gligorovski, Universités d'Aix-Marseille - CNRS
5:00 – 7:00
POSTER VIEWING AND RECEPTION
Thursday – December 11, 2008
7:30 – 8:00
CONTINENTAL BREAKFAST
8:00 – 8:30
PLENARY LECTURE III
The Chemistry of Secondary Organic Aerosol Formation
Rich Kamens, University of North Carolina Chapel Hill
8:30 -
SESSION D
CONDENSED AND MULTIPHASE PHASE CHEMISTRY
MODERATOR: Barbara Turpin, Rutgers University
This session covers current issues in condensed, multiphase and heterogeneous chemistry including phase transfer, general
surface processes, and liquid phase mechanisms as well as tactical approaches to interfacing liquid phase and gas phase
mechanisms.
8:30 – 8:50
Current Issues in Multiphase Chemistry
Hartmut Hermann, Leibniz Institute for Tropospheric Research
8:50 – 9:10
Uptake of HO2 and N2O5
Joel Thornton, University of Washington
9:10 – 9:30
Photo-Enhanced Deposition of Trace Gases at the Interface of Organic Surfaces
Christian George, University of Lyon
9:30 – 9:50
Evidence for Photo-Induced Nucleation: Does the HO2 Radical Play a Role?
Aaron C. Noell, Caltech Jet Propulsion Laboratory
9:50 – 10:10
BREAK
10:10 – 10:30
Heterogeneous Uptake of N2O5: Field Determinations of Uptake Coefficients and
Efficiency for ClNO2 Production
Steven S. Brown, NOAA Earth System Research Laboratory
10:30 – 10:50Ozonolysis of Oleic Acid Adsorbed to Polar and Nonpolar Aerosol Particles
Elias Rosen, University of North Carolina
10:50
SESSION E
CHEMICAL MECHANISM EVALUATION
MODERATOR: William Carter, University of California, Riverside
Session covers smog chamber evaluations for all phases& comparison with field data, concentrating on mechanistic detail &
chemical understanding rather than mechanisms optimized to recreate for profiles (contributions in mechanism evaluation encouraged).
10:50 – 11:00 EUROCHAMP-2
Ian Barnes, University of Wuppertal
11:00 – 11:20
Problems and Progress in Using Environmental Chambers for
Evaluating Mechanisms
David Cocker, University of California, Riverside
11:20 – 11:40 The Regional Atmospheric Chemistry Mechanism, Version 2 – An Update
Wendy Goliff, Desert Research Institute
11:40 – 12:00
Gas-Phase Precursors to Anthropogenic SOA: Using the MCM to Probe Detailed
Observations of Aromatic Photo-Oxidation
Andrew Rickard, University of Leeds
12:00 – 12:20Photochemical Formation of Secondary Organic Compounds in Urban
Plumes: A Case for Detailed Chemical Mechanisms
Roberto Sommariva, University of East Anglia
12:20 – 1:30
1:30 -
LUNCH
SESSION F
DEVELOPMENTS IN MECHANISM REDUCTION TECHNIQUES
MODERATOR: Mike Jenkin, Imperial College London
Mechanism reduction and lumping is a key bridge to policy applications and is therefore an essential element in
atmospheric chemistry model development. This session will include contributions on formal approaches to reduction,
lumping and sensitivity analysis, e.g. high dimensional model representation and more chemical approaches as well as
difficulties and uncertainties in reducing representations of SOA formation.
1:30 – 1:50
Do We Need Huge Organic Mechanisms? If So, Observed j x HCHO Provides a
Strong Check on VOC Oxidation Rate and Ozone Production
Robert B. Chatfield, NASA Ames Research Center
1:50 – 2:10
Development of a Condensed SAPRC-07 Mechanism
William Carter, University of California, Riverside
2:10 – 2:30
Development of Systematic Reduction Techniques to Describe the
SOA/VOC/NOx/O3 System
Bernard Aumont, University of Paris
2:30 – 2:50
A New Condensed Toluene Mechanism for Carbon Bond
Gary Whitten, Smog Reyes
2:50 – 3:10
Title TBA
Michael Jenkin, Imperial College London
3:10 – 3:30
BREAK
3:30 – 3:50
Application of the Higher-Order Decoupled Direct Method for Impact of
Uncertainties in Chemical Reaction Rates on Model Sensitivities
Bonyoung Koo, ENVIRON International Corporation
3:50 – 4:10
Modelling Smog Chamber Measurements of Unleaded (ULP), E5 and E10
Vehicle Exhaust Reactivities
Merched Azzi, CSIRO
Friday – December 12, 2008
7:30 – 8:00
CONTINENTAL BREAKFAST
8:00 – 8:50
PLENARY LECTURE IV
The Present State and Future Direction of Policy Formation
TBA
8:50
SESSION G
CHEMISTRY IN THE FREE TROPOSPHERE
MODERATOR: William Stockwell, Howard University
This session will examine new issues in upper tropospheric chemistry particularly those related to temperature dependent
oxidation chemistry and climate change issues. Issues include alkoxy radical reactions, especially dissociation and
isomerization vs. reaction with O2; pressure and temperature dependencies generally, e.g. for OH addition – how well do
we know the kinetics? The pressure and temperature dependence of carbonyl photolysis is also relevant. Why don’t the
models match the observed NO to NO2 conversions above the mixing height? How do we put these effects into global
models?
8:50 – 9:10
9:10 – 9:30
Oxidation Reactions at the Low Temperatures of the Upper Troposphere
Alexandre Kukui, Service d'Aéronomie – CNRS
NOy Chemistry in the Free Troposphere
William Stockwell, Howard University
9:30 – 9:50
Temperature Dependencies of Reactions and Photolysis Processes of
Relevance to the Free Troposphere
John Orlando, The University Corporation for Atmospheric Research
9:50 – 10:10
Problems Above the Mixing Height
TBA
10:10 – 10:30
BREAK
10:30 -
SESSION H
CHEMICAL MECHANISM IMPLEMENTATION FOR POLICY
MODERATORS: Ajith Kaduwela, California Air Resources Board
Deborah Luecken, U.S. Environmental Protection Agency
Fundamental chemical issues and needs have been addressed in the preceding sessions. This session will focus on the
difficulties of bridging fundamental knowledge with policy-making and the methods used for introducing chemical issues,
especially emergent chemical science, in policy formation. New and innovative policy applications of chemical mechanisms
rather than just applications are to be discussed in order to address whether the mechanisms currently available are fit for the
purpose.
10:30 – 10:50Title TBA
Ajith Kaduwela, California Air Resources Board
10:50 – 11:10 Multi-Pollutant Policy Applications
Karen Wesson and Deborah Luecken, U.S. Environmental Protection Agency
11:10 – 11:30
Policy Formation in Europe
Dick Derwent, rdscientific
11:30 – 11:50 New Modeling Approaches in Houston and Relevance to Policy
Harvey Jeffries, University of North Carolina
11:50 – 12:10 Peer Review of SAPRC07
William Carter, University of California, Riverside
12:10 – 1:10
LUNCH
1:10 – 1:30
Application of Extended SAPRC Mechanism to Study Effects of HRVOC
Emissions in a Severe O3 Nonattainment Area
Daewon Byun, University of Houston
1:30 – 1:50
Reaction Rate Uncertainty in the Development of Control Strategies
Daniel Cohan, Rice University
1:50
PANEL DISCUSSION
- 2:50
Sustained Further Development in Atmospheric Chemistry Mechanisms
Panel: TBA
2:50 – 3:15
Conference Summary
William Carter, University of California, Riverside
CONFERENCE SPONSORS
UC Davis Air Quality Research Center
California Air Resources Board
U.S. Environmental Protection Agency
INTROP (The European Science Foundation’s Interdisciplinary Tropospheric Research Programme)
For questions about the conference please contact :
Donna Reid, Outreach Manager, Air Quality Research Center at dvreid<at>ucdavis.edu