Annual Report on the State of Combustion Energy Frontier Research Center

Transcription

1 Annual Report on the State of Combustion Energy Frontier Research Center Chung K. Law, Center Director Second Annual Conference August 17-19, 2011 Princeton 1

2 Our Challenge: Multi-physics & Multi-scale 2

3 The Overarching Goal The development of a validated, predictive, multi-scale, combustion modeling capability to optimize the design and operation of evolving fuels in advanced engines for transportation applications 3

4 Principal Objectives 1. Excellence of basic research (BES) driven by energy relevance (DOE) 2. Tight coordination and synergism among the individual PI-led programs The whole is more than the sum of its parts, which is the key criterion for an EFRC 3. Leadership in the national and international combustion energy community 4. Robust outreach program for education and information dissemination 4

5 An Eventful 2 nd Year! Inputs from advisors report and DOE Management Review Expansion and sharpening of goals and activities, leading to an enriched, interactive 2D structure Wide range of technical accomplishments Robust outreach programs Looking ahead 5

6 Advisors 2010 Report (1/2) Generally satisfied with the structure, expertise, coordination and goals of the Center Recommendations Importance of C0-C4 mechanism: a gold standard Tighter coordination between theory and experiment High-pressure combustion Unified mechanism 6

7 Advisors 2010 Report (2/2) Recommendations Stronger coordination between flames/transport with theory/experiment (e.g. NTC behavior) Developing/utilizing database architecture (e.g. PriMe) Error quantification Outreach Enlarge scope of Summer School Enhance internet International collaboration 7

8 DOE Management Review 8 A long process! CEFRC review document submitted on April 23, 2010 Review conducted on June 5, 2010 Review report received on December 17, 2010 Reply submitted on Feb. 15, 2011 Reply accepted on May 19, 2011 Recommendations Clarify objectives Tighten management structure and decision making Enhance synergy and information sharing. The outcome is more than the sum of the parts. Distinct from individually funded program

9 Major CEFRC Decision: Scope of Deliverables Extended Scope of deliverables of reaction mechanisms has been extended from butanol to the following three major classes of fuels: Foundation C 0 C 4 fuels Alcohols, especially butanol Biodiesel The foundation fuels form the building blocks for hydrocarbon fuels with larger C n Alcohols and biodiesel constitute most of biofuels 9

10 An Enriched 2D Center Structure Disciplinary Working Groups Chemistry: Theory (Green Klippenstein) Chemistry: Experiment/mechanisms (Wang) Chemistry and transport (Ju) Mechanism Thrusts (Green) C 0 -C 4 foundation fuels (Wang) Alcohols especially butanol (Green) Biodiesel (Ju) 10

11 11 An Interactive 2D Center Structure

12 Selected Research Highlights (1/2) A linear-scale local multi-reference single and double excitation configuration interaction method was developed, and used to compute the molecular energies of biodiesel. Methods were developed to handle the coupling between the many internal rotors characteristic of large fuel molecules. A large matrix of highly accurate chemical kinetic data, relevant for the development of the three thrust mechanisms, has been determined experimentally. tert-butanol was found to have distinctively different chemical reactivity from the other three butanol isomers. 12

13 Selected Research Highlights (2/2) The second-generation of the reaction mechanism for n- butanol was completed. A method of uncertainty minimization was developed to account for parameter uncertainties in future combustion design tools. Synergistic combustion through fuel blending was investigated. The third-body effects of water and CO 2 on syngas combustion were quantified. Direct numerical simulation of 3D turbulent flames indicated that the flame structure consists of mixed mode of premixed and nonpremixed burning. 13

14 Demonstrated Research Excellence 33 rd International Combustion Symposium, August, 2010 CEFRC PIs (Chen, Hanson, Wang) delivered three of the five plenary lectures; Hanson s was the Hottel lecture CEFRC PIs co-authored 38 proceedings papers 7 th National Conference on Combustion, April, 2011 Klippenstein delivered plenary lecture CEFRC PIs delivered 38 papers 60 journal-level papers published or accepted in

15 Demonstrated Research Excellence And, announcing the hot-off-the-press news: Steve Pope will deliver the Hottel lecture at the 34 th Combustion Symposium This makes three Hottel lecturers of the four symposia between 31 st and 34 th being PIs of the CEFRC: 31 st, 33 rd and 34 th! 15

16 Outreach and Educational Programs 16

17 Combustion Energy Research Fellows Bin Yang Starting: 02/2010 PIs: Hansen/Wang Jay Uddi Starting: 05/2010 PIs: Ju/Sung John Alecu Starting: 07/2010 PIs: Green/Truhlar Peng Zhang Starting: 08/2010 PIs: Klippenstein/Law/Pope/Wang 17 Yue Yang Starting: 03/2011 PIs: Chen/Pope Bret Windom Starting: 05/2011 PIs: Egolfopoulos/Ju Gbenga Oyedepo Starting: 09/2011 PIs: Carter/Truhlar Damir Valiev Starting: 09/2011 PIs: Chen/Law Yury Suleymanov Starting: 12/2011 PIs: Green/Klippenstein Program has reached steady state; with first class about to graduate

18 Princeton-CEFRC Summer School on Combustion: 2011 Session Academic program: Three 15-hour courses over 5 days Participant statistics: 110 graduate students; 30 professionals; 52 institutions; 25 states; 10 international Cost: Room and board covered for domestic students Additional sponsors: ARO & NSF 18 Combustion Energy Frontier Research Center

19 Participating Institutions (1/3) 1. Alstom Power 2. Argonne National Laboratory 3. California Institute of Technology 4. Cambridge University 5. Center for Space Exploration Research Technology 6. Clemson University 7. Colorado State University 8. CEFRC 9. Cornell University 10. Drexel University 11.General Motors R&D Center 12.Georgia Institute of Technology 13.University of Illinois at Chicago 14.Innovative Scientific Solutions 15.Institute for Clean and Secure Energy 16.Louisiana State University 17.Massachusetts Institute of Technology 18.McGill University 19.Michigan State University 20.NASA Glenn Research Center 19

20 Participating Institutions (2/3) 21. National Inst. of Aerospace 22. New Jersey Institute of Technology 23. North Carolina State University 24. Northeastern University 25. Penn State University 26. Princeton University 27. Purdue University 28. Rensselaer Polytechnic Institute 29. Rutgers University 30. Shanghai Jiao Tong University 31. Siemens 32. Stanford University 33. University of Texas, Austin 34.University of Texas, El Paso 35.University of California, Davis 36.University of California, San Diego 37.University of Connecticut 38.University of Dayton 39.University of Illinois at Urbana- Champaign 40.University of Iowa 20

21 Participating Institutions (3/3) 41. University of Kentucky 42. University of Maryland 43. University of Massachusetts 44. University of Michigan 45. University of Minnesota 46. University of Nebraska 47. University of Southern California 48. University of Tennessee 49. University of Toronto Institute for Aerospace Studies 50. Virginia Tech 51.West Virginia University 52.Yale University Black: US academic institutions Red: Industries & gov t labs. Blue: International 21

22 22 Biannual Newsletters

23 Looking Ahead Great science from the DWGs Development of community-wide thrust mechanisms Development of community-wide database Summer/Spring/Fall schools in Europe and Asia Outreach to engine communities to integrate CEFRC mechanisms Alliance with sister (and big sister!) DOE centers on fuels chemistry and synthesis 23

24 Alliance with Other DOE Combustion Activities Argonne-Sandia program on high-pressure combustion (Klippenstein) Combustion Exascale Co-design Center (Chen) Predictive Simulation of Internal Combustion Engines, PreSICE (under consideration) Combustion program at National Energy Technology Lab, NETL. 24

25 Alliance with DOE Centers on Fuels Synthesis Alliance with three major DOE-sponsored centers that synthesize biofuels Catalysts Center for Energy Innovation Center for Advance Biofuels Systems National Alliance for Advanced Biofuels and Bioproducts The CEFRC will perform combustion tests and analysis of the biofuels synthesized by the alliance centers to provide feedback on fuel viability and design 25

26 26 Schedule of Technical Program

27 Wednesday, August 17 th Review of progress and plan of the DWGs and Mechanism Thrusts PIs Combustion Energy Research Fellows 27

28 Thursday, August 18 th Morning Summaries of DWGs and Mechanism Thrusts Inter-center alliances & industry outreach Afternoon Breakout sessions for DWGs Assembled/breakout sessions for Mechanism Thrusts Optional evening group meetings 28

29 Morning Friday, August 19 th Report on revised plans by DWGs and Mechanism Thrusts PIs to prepare for the Science Review on March 8, 2012 Advisors to prepare for report Afternoon Advisors deliver report Adjourn 29

30 30 Have A Great Time!