August 17-19, 2011, Princeton, NJ

Wednesday, August 17 Day 1: Program Review

State of the CEFRC (Law)

Review of Theory DWG (Klippenstein)

• Biodiesel thermochemistry and kinetics with the multireference singles and doubles configuration interaction method (Carter) 
• Computation of accurate thermochemistry and rate parameters for complex combustion reactions (Truhlar)
• Theoretical gas phase chemical kinetics (Klippenstein)
• Detailed chemistry models for butanols based on ab initio rate coefficients, and comparisons with experimental data (Green)
• Accurate computed rate coefficients for the hydrogen atom abstraction reactions from methanol and n-butanol by the hydroperoxyl radical (Alecu)
• Ab initio kinetics for the decomposition of -hydroxybutyl radical of n-butanol and monomethylhydrazine (Zhang)

Review of Experiment DWG (Wang)

• Developing fundamental kinetics data through shock tube studies (Hanson)
• Combustion studies of alcohols, hydrogen-rich fuels, and esters (Dryer)
• Autoignition studies of alternative fuels (Sung)
• Flame chemistry and diagnostics (Hansen/Yang)
• Chemical kinetics and transport of combustion processes (Wang)
• H2O number density measurements in an RCM and plasma combustion using mid-IR absorption (Uddi)

Review of Flame DWG (Ju)

• Flame studies of small hydrocarbons and oxygenated fuels (Egolfopoulos)
• Studies of kinetics and flame chemistry of methyl-esters and C0-C2 foundation fuels (Ju) 
• Kinetic and transport processes in flames (Law)
• Direct numerical simulation of turbulent combustion (Chen) 
• Predictive turbulent combustion models (Pope)

Thursday, August 18 Day 2: Internal Threading and Reaching Out

Re-cap and charge (Law)

Summary of States/Plans of DWGs and Thrusts (Law)

• Theory DWG (Klippenstein)
• Experiment DWG (Wang)
• Flame DWG (Ju)
• Mechanism Thrusts (Green)

Outreach Activities (Law)

• Cybercombustion, Combustion Exa-scale Co-Design Center, PreSICE (Chen)
• Argonne-Sandia High-Pressure Combustion Consortium (Klippenstein)
• Catalysis Center for Energy Innovation, CCEI (Dion Vlachos)
• Center for Advance Biofuel Systems, CABS; and National Alliance for Advanced Biofuels and Bioproducts, NAABB (Richard Sayre)
• Needs of industries (Westbrook)

Breakout Sessions
Breakout sessions for DWGs (Ju, Klippenstein, Wang)
Assembly followed by breakout sessions for mechanism thrusts (Green)
 

Friday, August 19 Day 3: Moving Forward

Recap and charge (Law)
Revised short- and long-term plans of DWGs

• Theory DWG (Klippenstein)
• Experiment DWG (Wang)
• Flame DWG (Ju)
• Revised short- and long-term plans of mechanism thrusts (Green) 

Preparing for the Science Review (Law/Starikovskiy and PIs)
Preparation of the Advisors’ Report (Sarofim and advisors)
Report from the Advisors (Sarofim)
Conference Adjourns