NSF Program in: Combustion, Fire, and Plasma Systems

1. NSF Program in:Combustion, Fire, and Plasma Systems Phillip R. Westmoreland Program Director, Combustion, Fire, and Plasma Systems (CFP) - Rotator from U. Massachusetts Amherst / ChE

2. CBET Division Director Judy Raper Deputy Division Director Bob Wellek Senior Advisor Marshall Lih Chemical, Biochemical, and Biotechnology Systems Biomedical Engineering and Engineering Healthcare Environmental Engineering and Sustainability Transport and Thermal Fluids Process and Reaction Engineering Maria Burka Research to Aid Persons With Disabilities Bob Jaeger Environmental Engineering Pat Brezonik Combustion, Fire, and Plasma Systems Phil Westmoreland Catalysis and Biocatalysis John Regalbuto Thermal Transport Processes Pat Phelan Biomedical Engineering Semahat Demir Environmental Technology Cindy Ekstein Biochemical Engineering Bruce Hamilton Fluid Dynamics Bill Schultz Biophotonics Leon Esterowitz Energy for Sustainability Vacant Biotechnology Fred Heineken Interfacial Processes And Thermodynamics Bob Wellek Environmental Sustainability Cindy Lee Chemical and Biological Separations Geoff Prentice Particulate and Multiphase Processes Vacant

3. Combustion, Fire and Plasma Program (CFP)Phil Westmoreland, pwestmor@nsf.gov • Focus is on the forefront engineering science. • Contrast to device or process development. • Combustion: Energy to manufacturing to health effects • Fossil and biofuels; Products and pollutants. • Gas kinetics, CFD, sprays, solid-phase synthesis. • Fire: Safety-driven, from suppressants to fire events. • Plasma: Phenomena and processing. • Linked by dual importance of chemistry and physics.

4. 2000 ms 2000 ms 2000 ms 2000 ms nucleation nucleation nucleation Aerosol over Aerosol over Aerosol over roadway/inhalation roadway/inhalation roadway/inhalation condensation condensation condensation 1 1 1 - - - 10 nm 10 nm 10 nm 100 100 100 - - - 1000 nm 1000 nm 1000 nm 500 ms 500 ms 500 ms 500 ms CH CH CH CH 2 2 2 2 OH OH OH OH Free radicals Free radicals Free radicals tailpipe tailpipe tailpipe Exhaust manifold Exhaust manifold Exhaust manifold CH CH CH H H H O O O 3 3 3 2 2 2 50 ms 50 ms 50 ms 50 ms OH OH OH oxidation oxidation oxidation Fractal clusters Fractal clusters Fractal clusters agglomeration agglomeration agglomeration 10 10 10 - - - 30 nm 30 nm 30 nm 1 ms 1 ms 1 ms surface reaction surface reaction surface reaction and coagulation and coagulation and coagulation Intermolecular Intermolecular Intermolecular flame processes flame processes flame processes rearrangement, rearrangement, rearrangement, Soot structure, Soot structure, Soot structure, Particle Particle Particle Optical Optical Optical - - - inception inception inception In In In properties properties properties Dia Dia Dia . = 1 . = 1 . = 1 - - - 2 nm 2 nm 2 nm 1 1 1 ps ps ps PAH formation PAH formation PAH formation 10 ms 10 ms 10 ms 10 ms Precursor Precursor Precursor molecules molecules molecules peroxides peroxides peroxides C C C H H H 2 2 2 3 3 3 CH CH CH OH OH OH CO CO CO 3 3 3 1 ms 1 ms 1 ms 1 ms heptamethynonane heptamethynonane heptamethynonane C C C H H H 16 16 16 34 34 34 Investigating Nano-carbon Particles in the Atmosphere: Formation and TransformationLighty, Pugmire, Sarofim, Violi, Voth (Utah; NIRT EEC-0304433) Growth from molecules to soot particles by multiscale combination of: Molecular Dynamics Limited to small time scales, with time steps on the order of a fraction of the vibrational period. Kinetic Monte Carlo Unrestricted time scales. Time step determined by the kinetics, ~ms Coarse-grained MD Coarse-grained MD

5. High-Fidelity Numerical Modeling & Simulation of Fire SuppressionPaul E. DesJardin (U. Buffalo; CAREER Award, CTS-0348110) • For suppressing pool fires, the P.I. predicts multiphase turbulent mixing processes over a wide range of time/length scales. • Turbulence modeling with reactions has been a grand-challenge problem. • Here, model large-scale turbulent motion directly by “Large-Eddy Simulation” method; • Model small scales stochastically; and • Account for interactions among nonlinear turbulence/chemistry/radiation/droplet models. • Broad impacts are excellent: Researchers collaborate with Sandia, the Navy, & NIST. • Supercomputer use for the 3-D calculations educates students about high-performance computing.

6. Cyberinfrastructure can be used to couple data, models, people; The CFP communities are pushing advanced uses. • Just as for nanotechnology, defining cyberinfrastructure as an organizing concept opens unexpected opportunities. • Some components: • Leading-edge computers • Networks and Grid-based computation • Internet 2.0 and Teragrid • Application codes and middleware • “Simulation-Based Engineering and Science” (SBES) • Active databases • Scientific gateways and Virtual organizations

7. An example from outside CFP: nanoHUB.org

9. One grassroots activity for combustion kinetics – and more. NSF Cyber-Enabled Chemistry: CHE-0535542

10. Our goal is to support outstanding engineering science. • Contact: • Combustion, Fire, and Plasma: Phil Westmoreland, pwestmor@nsf.org • Next window for unsolicited proposals to CBET: • February 1 to March 1, 2007

11. Appendices

12. For the most up-to-date information about CFP funding, see: • Program description: http://www.nsf.gov/funding/pgm_summ.jsp?pims_id=13366&org=CBET • Awards database (from program description page): http://www.nsf.gov/awardsearch/progSearch.do;jsessionid=BF085873CF5782A3D0C3AD4DA360718C?SearchType=progSearch&page=2&QueryText=&ProgOrganization=CBET&ProgOfficer=&ProgEleCode=1407&BooleanElement=false&ProgRefCode=&BooleanRef=false&ProgProgram=&ProgFoaCode=&RestrictActive=on&Search=Search#results • Currently, 69 active grants.