Program

2^nd International Workshop on Flame Chemistry

www.princeton.edu/~yju/2nd_flame_chemistry_workshop.html

August 2^nd + 3^rd 2014, Hyatt Regency Embarcadero in San Francisco, California

Saturday, August 2^nd 2014

8:00-8:30 am Registration + Continental Breakfast

8:30-8:35 am Welcome: Nils Hansen

Session 1: Applied Aspects of Fundamental Combustion Chemistry Research

Chair: Matt Oehlschlaeger (RPI, USA)

8:35-9:10 am Fuel Chemistry Impacts on IC Engine Emissions and Efficiency

Andre Boehman (University of Michigan, Ann Arbor, USA)

9:10-9:45 am Fuel Flexibility in Siemens Industrial Gas Turbines

Jenny Larfeldt (Siemens Industrial Turbomachinery AB, Sweden)

9:45-10:05 am Coffee Break

Session 2: Development of C₀-C₄ Mechanisms

Chair: Mani Sarathy (KAUST, Saudi Arabia)

10:05-10:40 am Combustion Chemistry in the Twenty-First Century: Developing a Theory-Informed Chemical Kinetic Model for the Small-Hydrocarbon Fuels

James Miller (Argonne National Laboratory, USA)

10:40-11:15 am Developing a Chemical Kinetic Mechanism for C₀-C₄ Hydrocarbons. A Focus on Propene and Isobutene Chemistry

Henry Curran (National University of Ireland, Ireland)

Session 3: PAH Formation and Oxidation

Chair: Rob Tranter (Argonne National Laboratory, USA)

11:15-11:50 pm PAH Mechanism Development for Soot Modeling in Diffusion Flames

Suk Ho Chung (KAUST, Saudi Arabia)

11:50-12:25 pm Mechanism and Kinetics of Soot Oxidation

Michael Frenklach (UC Berkeley, USA)

12:25-14:00 pm Lunch Break

Session 4: Low-Temperature Oxidation

Chair: Charlie Westbrook (LLNL, USA)

14:00-14:35 pm Experiments on Low-Temperature Combustion: Development of a Stabilized Cool Flame Platform and a Faraday Rotation Spectroscopy Diagnostic for In-Situ Measurement of HO_x Radicals

Sang Hee Won and Brian Brumfield (Princeton University, USA)

14:35-15:10 pm H₂O₂ Measurements During C₂-C₄ Fuel Oxidation in a Jet-Stirred Reactor

Frederique Battin-Leclerc (Laboratoire Reactions et Genie des Procedes, Nancy, France)

15:10-15:45 pm Multi-Scale Informatics for Low-Temperature Oxidation

Mike Burke (Columbia University, USA)

15:45-16:00 pm Coffee Break

Session 5: Small Group Discussions

16:00-17:30 pm #1: How to bridge the gap between theory and experiments in low-temperature

chemistry?

Chair: Yiguang Ju (Princeton University, USA)

#2: Where do we still need to improve our theory and modeling codes?
Chair: Franklin Goldsmith (Brown University, USA)

#3: What new experimental approaches and targets are needed to develop better

models?

Chair: Tina Kasper (Universität Duisburg-Essen, Germany)

#4: What are the greatest uncertainties in mechanisms?

Chair: Enoch Dames (MIT, USA)

Sunday, August 3^rd 2014

8:30-9:00 am Registration + Continental Breakfast

Session 6: Automated Mechanism Generation, Rate Rules, Uncertainty Quantification, and Theory

Chair: Bin Yang (Tsinghua University, China)

9:00-9:35 am Prospects for Automation in Elementary Reaction Kinetics using Expert Systems

Judit Zador (Sandia National Laboratories, USA)

9:35-10:10 am Reaction Mechanism Generator: Toward High-Throughput Transition State Calculations, and Interpreting Existing Kinetic Models

Richard West (Northeastern University, USA)

10:10-10:30 am Coffee Break

10:30-11:05 am Predicting Pressure Dependence in Elementary Kinetics

Ahren Jasper (Sandia National Laboratories, USA)

11:05-11:40 am Implementing Uncertainty Analysis in Developing Combustion Kinetic Models

Xiaoqing You (Tsinghua University, China)

Session 7: Presentation of Small Group Discussions

Chair: Nils Hansen (Sandia National Laboratories, USA)

11:40 am-12:30 pm #1: Yiguang Ju Low-temperature Combustion

#2: Franklin Goldsmith Theory and Modeling Codes

#3: Tina Kasper Experimental Approaches

#4: Enoch Dames Uncertainties

12:30 pm Adjourn