Program

4^th International Workshop on Flame Chemistry

www.princeton.edu/~yju/4th_flame_chemistry_workshop.html

July 28^th + 29^th 2018, Trinity College Dublin, Ireland

Saturday, July 28^th 2018

8:00-8:30 am Registration + Breakfast

8:30-8.35 am Welcome: N. Hansen

Session 1: Collisional and Transport Effects

Chair:

Invited Talk:

8:35-9:00 am Collision parameters for alcohols, peroxides, and highly-branched hydrocarbons

Ahren Jasper (Argonne National Laboratory, USA)

Contributed Talks:

9:00-9:15 am H₂O and CO₂ kinetic effect on C/H sub-mechanisms in diluted combustion

Pino Sabia (Instituto di Ricerche sulla Combustione, IRC-CNR, Naples, Italy)

9:15-9:30 am Multi-component reactive pressure-dependent chemistry

Mike Burke (Columbia University, USA)

9:30-10:00 am Discussions

10:00-10:30 am Coffee Break

Session 2: PAH and Soot Formation (a joint session with the ISF workshop)

Chair:

10:30-10:50 am What is current knowledge in PAH chemistry - Mechanism point of view: Understanding PAH chemistry: challenges for mechanism development

Tiziano Faravelli (Politecnico di Milano, Italy)

10:50-11:10 am What is current knowledge in PAH chemistry - Elementary reaction point of view Stephen Klippenstein, Argonne National Laboratory, USA

11:10-11:30 am Potential validation experiments

Nils Hansen, Sandia National Laboratories, USA

11:30-12:30 pm Discussions

12:30-14:00 pm Lunch Break

Session 3: Large Scale Computing and a priori Mechanism Generation

Chair:

Invited Talks:

14:00-14:25 pm Automation of rate constant calculation: status and perspectives

Carlo Cavalotti (Politecnico di Milano, Italy)

Contributed Talks:

14:25-14:40 pm Automated reaction mechanism construction: Overview & current status

Mengjie Liu (Massachusetts Institute of Technology, USA)

14:40-14:55 pm Building large and accurate kinetic models using Genesys

Ruben van de Vijver (Sandia National Laboratories, USA)

14:55-15:10 pm Comparing the results and performance of chemical kinetic modeling software

Raymond Langer (RWTH Aachen, Germany)

15:10-15:25 pm Experimental and comparative modeling study of high temperature and very high pressure cyclohexane, methylcyclohexane, and 6-bromo-1-hexene pyrolysis

Kenneth Brezinsky (University of Illinois Chicago, USA)

15:25-15:40 pm ChemConnect2: Cloud-based repository of inter-linked combustion data backed with chemical knowledge

Edward Blurock (Lund, Sweden)

15:40-16:10 pm Discussions

15:55-16:20 pm Coffee Break

Session 4: Warm flame and Plasma- and Ozone-assisted Combustion Chemistry

Chair:

Invited Talk:

16:20-16:45 pm Warm flames and HO₂ chemistry

Yiguang Ju (Princeton University, USA)

Contributed Talks:

16:45-17:00 pm Ozone-assisted ethylene oxidation at low-temperatures

Aric Rousso (Princeton University, USA)

17:00-17:15 pm Highly oxidized products from rapid alkane autoxidation

Zhandong Wang (KAUST, Saudi Arabia)

17:15-17:45 pm Discussion

18:00-20:00 pm Dinner

Sunday, July 31^st 2016

8:00-8:30 am Registration + Breakfast

Session 5: Transformative Experimental Tools

Chair:

Invited Talk:

8:30-8:55 am Absorption diagnostics for chemical kinetic studies

Aamir Farooq (KAUST, Saudi Arabia)

Contributed Talks:

8:55-9:10 am A high-pressure, turbulent flow reactor for autoignition chemistry research

Yi Yang (University of Melbourne, Australia)

9:10-9:25 am Shock Tube imaging of flame propagation at variable temperature and pressure

Alison Ferris (Stanford University, USA)

9:25-9:40 am Detection of intermediates formed in the oxidation of fuels using cavity ring-down spectroscopy

Olivier Herbinet (CNRS Nancy, France)

9:40-9:55 am X-ray diagnostics for flames: from fields to particles

Robert Tranter (Argonne National Laboratory, USA)

9:55-10:10 am Flame-sampling mass spectrometry for the investigation of PAH formation

Lena Ruwe (Bielefeld University, Germany)

10:10-10:40 am Discussions

10:40-11:00 am Coffee Break

Session 6: Combustion Chemistry at Low-Temperatures

Chair:

Invited:

11:00-11:25 am Low-temperature chemistry of oxygenated molecules, what do we know?

Zeynep Serinyel (CNRS Orleans, France)

Contributed Talks:

11:25-11:40 am The kinetics influencing the propensity of n-butanol and its blends with a gasoline surrogate to knock and super knock

Alison Tomlin (Leeds University, Great Britain)

11:40-11:55 am Revisiting the autoignition mechanisms of hydrocarbons and oxygenated fuels

Zhandong Wang (KAUST, Saudi Arabia)

11:55 am-12:10 pm Using mechanism generators to probe THF combustion chemistry

Phil Westmoreland (North Carolina State University, USA)

12:10-12:25 pm Autoignition in IC engines

Peng Zhao (Oakland University, USA)

12:25-12:40 pm A critical evaluation of rate constants for syngas combustion kinetics

Ultan Burke (NUI Galway, Ireland)

12:40-13:10 pm Discussions

13:10-13:15 pm Final Discussions/Conclusions

13:15 pm Adjourn