PROGRAM

WEDNESDAY, DECEMBER 7th

8:00       Continental Breakfast and Check-In

9:00       Welcome & Intro - Anthony Wexler, UC Davis & Gordon McFiggans, University of Manchester

9:15       PLENARY: Overview of the Steps Needed to Develop Practical Mechanisms for Atmospheric Applications

               Dick Derwent, rdscientific    

10:00      Break

SESS 1- Mechanistic and Numerical Requirements for Models Across a Range of Scales

               Chairs: Michael Kleeman, UC Davis and Gordon McFiggans, University of Manchester

a.            Large-Scale Model Requirements

10:30      Requirements for Gas-Aerosol Models for Regional and Global Integrated Assessment The EMEP Model

      David Simpson, Norwegian Meteorological Institute, Oslo and Chalmers University of Technology, Gothenburg  

 b.         Numerical Developments and Parameterisation Requirements

10:50      Hierarchy of Chemical Mechanisms for Composition and Climate Modeling

               Jean-Francois Lamarque, NCAR  

11:10      KEYNOTE: A National Science Foundation Programmatic Perspective

               Paul Shepson, Director, Division of Atmospheric and Geospace Sciences, NSF 

12         Lunch

SESS 2- New Reaction Pathways, Intermediates and Product Information for Chemical Mechanisms

              Chairs: Carl Percival, University of Manchester and Thomas Mentel, Jülich

1:30       State of OH/HO2 Measurements and Direct Measurements of the Ozone Production Rate

              William Brune, Penn State

1:50       The EUROCHAMP Chamber Network as a Provider of Data for Chemical Mechanism Constraint and Evaluation

     Jean-Francois Doussin, Université de Paris 

a.           Alkoxy, Peroxy, Criegee and Auto-Oxidation Pathways                 

2:10       Thoughts on the Current State-of-Play on Criegee Chemistry

               Dudley Shallcross, University of Bristol

2:30       Alpha-Pinene Oxidation Under Various Conditions: Attempting Carbon Closure in VOC-OVOC-SOA Conversion

               Mikael Ehn, University of Helsinki                                                                    

2:50       A Combustion Perspective on Common Themes Between Autoignition and Autoxidation Chemistry

              Craig Taatjes, Sandia Labs 

3:10       Break

3:30       Multiphase Chemistry of Hydroperoxides

               Frank Keutsch, Harvard

3:50        OH Radical Reaction Initiated HOM Formation from Biogenic Emissions

               Torsten Berndt, Leibniz Institute for Tropospheric Research   

4:10       Finding the Common Ground Between Experimental Data and Theoretical Work in Autoxidation Mechanisms

              John Crounse, Caltech          

4:30       Photochemical Formation of HOM: The Role of NOX

              Thomas Mentel, Jülich

5-7        Welcome Reception & Poster Viewing


THURSDAY, DECEMBER 8th

7:30      Continental Breakfast

Session 2a continued

8:00       Direct Measurements of Vinoxy Radicals from Ozonolysis of 2-butenes Using Cavity Ring-Down                                                       S            Spectroscopy                                                     p            

               Jingsong Zhang, University of California, Riverside               

8:20       Reactions of Cycloalkenes with O3: Could Secondary Ozonides Be Formed?

               Liming Wang, South China University of Technology                                      

8:40       Computational Modeling of Monoterpene Autoxidation Mechanisms and Products

               Theo Kurtén, University of Helsinki                                                     

b.           Low NOx and Background Chemistry

9:00       Assessing the Climate and Air Quality Impact of Atmospheric Halogens

               Ryan Hossaini, Lancaster University                                      

9:20       Modeling Uncertainties in Gas-Phase Chemistry of Isoprene-SOA Precursors

              Jingqiu Mao, Princeton            

9:40       The Reaction of RO2 Radicals with OH and Its Impact in Remote Environments

               Christa Fittschen, Université Lille                                                      

10:00      Break              

10:30       Gas and Particle Phase Characterization of Limonene Ozonolysis Products and Their Role in SOA Formation

                Julia Hammes, University of Gothenburg                                            

10:50       Experimentally Determined Site-Specific Reactivity of the Gas-Phase OH and Cl +i- Butanol Reactions                                         Between 251 and 340 K        

                James Burkholder, NOAA                                                                 

11:30      Q&A

12         Lunch

SESS 3-  Development of Detailed Mechanisms as Standards and Estimation Methods for Unknown Pathways          

               Chairs: Sasha Madronich, NCAR and Theo Kurten, University of Helsinki 

a.         Computational Chemistry and SARs

1:00       Challenges in Achieving Accurate Quantum Chemical Predictions for Atmospheric Reactions

     Keith Kuwata, Macalester College                                     

1:20       Theoretical Methods - An Overview of Their Use in the Construction and Quantification of SARs

               Luc Vereeken, Jülich 

1:40       Photolysis Coefficients and Related SARs

     Sasha Madronich, NCAR 

2:00       Estimation and SARs for Kinetic Reactions - Overview of Estimation Methods from a SAPRC Perspective

               William Carter, UC Riverside

2:20       A Cost-Effective Approach to Quantum Calculations of Unimolecular Gas-Phase Kinetics

              Kristian H. Møller, University of Copenhagen                                    

2:40       Computational Comparison of Nitrate and Acetate Chemical Ionization of Highly Oxidized Cyclohexene                                   z            Ozonolysis Products

              Noora Hyttinen, University of Helsinki                                                

3:00       Break

b.         Automated Mechanism Development

3:20       GECKO-A – Automatic Mechanism Generation for Atmospheric Chemistry Applications

              Bernard Aumont, Université de Paris

3:40       Automated Mechanism Generation: Lessons Learned                    

               William Green, MIT    

4:00       Automated Generation of Chemical Mechanisms in MCM/GECKO-A: Ozonolysis and Criegee Intermediates               h            Chemistry

            Camille Mouchel-Vallon, University of York                                       

c.         Coherence and Comparison Between Detailed and Condensed Mechanisms

4:20       Using Field Measurements to Develop the MCM Chemistry - Can Simpler Chemistry Schemes Develop Alongside?   

               Lisa Whalley, University of Leeds 

4:40       Evaluation of Updated VOC Oxidation in the MOZART Chemical Mechanism

               Louisa Emmons, NCAR                                                                     

5:00       Modeling NOx and Peroxy Chemistry and VOC Evolution in Oxidation Flow Reactors

               Zhe Peng, University of Colorado University of Colorado, Boulder     

 5:20       Ring-Closing Isomerization Reactions of the Isoprene Hydroxy Nitrates

                Gabriel da Silva, The University of Melbourne

FRIDAY, DECEMBER 9th

7:30       Continental Breakfast

SESS 4- Applications of Mechanisms to Answer Chemistry-Driven and Policy Issues 

               Chairs: Ajith Kaduwela, CARB and Deborah Luecken, U.S. EPA        

8:00       Emerging Energy Technology and Its Implications for Air Quality

               Merched Azzi, CSIRO Energy, Australia                                                         

8:20       Chemical Mechanism Development Needs to Address Current and Future Regulatory issues – Lessons from                    o   Winter Ozone, Background Ozone, and Regional Haze

     Gail Tonnesen, U.S. EPA 

8:40       Moving Towards Air Quality Models with Chemistry Linked to the Master Chemical Mechanism – CRI   Perfo    r    f    o            Performance in U.S. Regional Models                                   

               Deborah Luecken, U.S.EPA                                                               

9:00       Condensing Thousands of Reactions to Tens: From MCM to Carbon Bond

               Greg Yarwood, Ramboll Environ

9:20       Coupled Atmospheric Chemistry Schemes for Modeling Regional and Global Atmospheric Chemistry

               Emily Saunders, Howard University                                                   

9:40       Alternative Considerations for Mechanism Development for Air Quality Modeling

               William R. Stockwell, Howard University                                           

10:00      Break

10:15      SAPRC-16 Peer Review with Q&A  

                William Carter, UC Riverside 

12:15      Wrap-Up

                Gordon McFiggans, University of Manchester