/news-events/publications/2010-2011-publications-an/index.xml

Peer reviewed, archival journal publications

  1. Shi, Y.; Green, W. H.; Wong, H. W.; and Oluwole, O. O. Redesigning combustion modelingnext term algorithms for the Graphics Processing Unit (GPU): Chemical kinetic rate evaluation and ordinary differential equation integration , Combust. Flame, 158, 836-847 (2011). 
  2. Weber, B. W.; Kumar, K.; Zhang, Z.; and Sung, C. J. Autoignition of n-Butanol at Elevated Pressure and Low to Intermediate Temperature, Combust. Flame, 158, 809-819 (2011).
  3. Yang, B.; Cool, T. A.; Westbrook, Charles K.; Hansen, N.; and Kohse-Hoinghaus, K. Fuel-Specific Influences on the Composition of Reaction Intermediates in Premixed Flames of Three C5H10O2 Ester Isomers, Phys. Chem. Chem. Phys., 13, 7205-7217 (2011).
  4. Dooley, S.; Dryer, F. L. ; Yang, B.; Wang, J.; Cool, T. A.; Kasper, T.; and Hansen, N. An Experimental and Kinetic Modeling Study of Methyl Formate Low-Pressure Flames, Combust. Flame, 158, 732-741 (2011).
  5. Kumar, K.; and Sung, C. J. Autoignition of Methanol: Experiments and Computations, Proc. Combust. Inst., 43, 175-184 (2011).
  6. Sheen, David; and Wang, Hai Combustion kinetic modeling using multispecies time histories in shock-tube oxidation of heptane, Combust. Flame, 158, 645-656 (2011).
  7. Alecu, I. M.; and Truhlar, D. G. Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. Part I: Accurate Thermochemistry and Barrier Heights, J. Phys. Chem. A, 115, 2811-2829 (2011).
  8. Park, O.; Veloo, Peter S.; Liu, N.; and Egolfopoulos, Fokion N. Combustion characteristics of alternative gaseous fuels, Proc. Combust. Inst, 33, 887-894 (2011).
  9. Veloo, Peter S.; and Egolfopoulos, Fokion N. Studies of n-Propanol/Air, iso-Propanol/Air, and Propane/Air Flames, Combust. Flame, 158, 501-510 (2011).
  10. Veloo, Peter S.; and Egolfopoulos, Fokion N. Flame Propagation of Butanol Isomers/Air Mixtures, Proc. Combust. Inst, 33, 987-993 (2011).
  11. Wang, Y. L. ; Veloo, Peter S.; Egolfopoulos, Fokion N.; and Tsotsis, T. T. A Comparative Study on the Extinction Characteristics of Non-Premixed Dimethyl Ether and Ethanol Flames, Proc. Combust. Inst, 33, 1003-1010 (2011).
  12. Zhang, H.; Fan, R.; Wang, S.; Tian, X.; Xu, K.; Wan, S.; and Egolfopoulos, Fokion N. Extinction of Lean Near-Limit Methane/Air Flames at Elevated Pressures under Normal- and Micro-Gravity, Proc. Combust. Inst, 33, 1171-1178 (2011).
  13. Allen, C.; Mittal, G.; Sung, C. J.; Toulson, E.; and Lee, T. An Aerosol Rapid Compression Machine for Studying Energetic-Nanoparticle-Enhanced Combustion of Liquid Fuels, Int. J. Chem. Kinet., 33, 3367-3374 (2011).
  14. Das, A. K.; Kumar, K.; Zhang, Z.; and Sung, C. J. Laminar Flame Speeds of Moist Syngas Mixtures, Combust. Flame, 158, 345-353 (2011).
  15. Vasu, Subith; Huynh, Lam; Davidson, David F.; Hanson, Ronald K.; and Golden, David Reactions of OH with Butene Isomers: Measurements of the Overall Rates and a Theoretical Study, J. Phys. Chem. A, 115, 2549-2556 (2011).
  16. Zheng, J.; Yu, T.; Papajak, E.; Alecu, I. M.; Mielke, S. L.; and Truhlar, D. G. Practical Methods for Including Torsional Anharmonicity in Thermochemical Calculations on Complex Molecules: The Internal-Coordinate Multi-Structural Approximation, Phys. Chem. Chem. Phys., (2011).
  17. Burke, M. P.; Dryer, F. L. ; and Ju, Yiguang Assessment of Kinetic Modeling for Lean H2/CH4/O2/Diluent Flames at High Pressures, Proc. Combust. Inst., 33, 905-912 (2011).
  18. Chen, Zheng; Burke, M. P.; and Ju, Yiguang On the critical flame radius and minimum ignition energy for spherical flame initiation, Proc. Combust. Inst., 33, 1219–1226 (2011).
  19. Goldsmith, C. F.; Klippenstein, S. J.; and Green, W. H. Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition, Proc. Combust. Inst., 33, 273-282 (2011).
  20. Harper, M. R.; Van Geem, K. M.; Pyl, S. P.; Marin, G. B.; and Green, W. H. Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion, Combust. Flame, 158, 16-41 (2011).
  21. Ju, Yiguang; Sun, Wenting; Burke, M. P.; Gou, Xiaolong; and Chen, Zheng Multi-timescale modeling of ignition and flame regimes of n-heptane-air mixtures near spark assisted homogeneous charge compression ignition conditions, Proc. Combust. Inst., 33, 1245–1251 (2011).
  22. Li, T. X.; Zhu, D. L.; Akafuah, N.; Saito, K.; and Law, C. K. Synthesis, droplet combustion, and sooting characteristics of biodiesel produced from waste vegetable oils, Proc. Combust. Inst., 33, 2039-2046 (2011).
  23. Lu, Wei; Kelley, A. P.; and Law, C. K. Nonpremixed ignition, laminar flame propagation, and mechanism reduction of n-butanol, iso-butanol, and methyl butanoate, Proc. Combust. Inst., 33, 995-1002 (2011).
  24. Memarzadeh, Saro; Tomachoff, Erik D,; Phares, Denis J.; and Wang, Hai Properties of nanocrystalline TiO2 synthesized in premixed flames stabilized on a rotating surface, Proc. Combust. Inst., 33, 1917-1924 (2011).
  25. Papajak, E.; and Truhlar, D. G. Convergent Partially Augmented Basis Sets for Post-Hartree-Fock Calculations of Molecular Properties and Reaction Barrier Heights, J. Chem. Theory Comput., 7, 10-18 (2011).
  26. Tang, C. K.; Huang, Z. H.; and Law, C. K. Determination, correlation, and mechanistic interpretation of effects of hydrogen addition on laminar flame speeds of hydrocarbon–air mixtures, Proc. Combust. Inst., 33, 921-928 (2011).
  27. Wang, Hai Formation of nascent soot and other condensed-phase materials in flames, Proc. Combust. Inst., 33, 41-67 (2011).
  28. Wang, Haifeng; and Pope, Stephen B. Large Eddy Simulation/Probability Density Function Modeling of a Turbulent CH4/H2/N2 Jet Flame, Proc. Combust. Inst., 33, 1319-1330 (2011).
  29. Won, Sang Hee; Dooley, S.; Dryer, F. L. ; and Ju, Yiguang Kinetic Effects of Aromatic Molecular Structures on Diffusion Flame Extinction, Proc. Combust. Inst., 33, 1163-1170 (2011).
  30. Yoo, C. S.; Richardson, E.; Sankaran, R.; and Chen, J. H. A DNS study on the stabilization mechanism of a turbulent lifted ethylene jet flame in highly-heated coflow, Proc. Combust. Inst., 33, 1619-1627 (2011).
  31. Zhang, P.; Klippenstein, S. J.; Sun, Hongyan; and Law, C. K. Ab initio kinetics for the decomposition of monomethylhydrazine (CH3NHNH2), Proc. Combust. Inst., 33, 425-432 (2011).
  32. Zhang, P.; and Law, C. K. A fitting formula for the falloff curves of unimolecular reactions: II. Tunneling effects, Int. J. Chem. Kinet., 43, 31-42 (2011).
  33. Feng, Q.; Wang, Y. L. ; Egolfopoulos, Fokion N.; and Tsotsis, T. T. Fundamental Study of the Oxidation Characteristics and Pollutant Emissions of Model Biodiesel Fuels, Ind. Eng. Chem. Res, 49, 10392-10398 (2010).
  34. Sun, Hongyan; and Law, C. K. Kinetics of hydrogen abstraction reactions of butene isomers by OH radical, J. Phys. Chem. A, 114, 12088-12098 (2010).
  35. Veloo, Peter S.; Wang, Y. L. ; Egolfopoulos, Fokion N.; and Westbrook, Charles K. A Comparative Experimental and Computational Study of Methanol, Ethanol, and n-Butanol Flames, Combust. Flame, 157, 1989-2004 (2010).
  36. Dooley, S.; Burke, M. P.; Chaos, M.; Stein, Y.; Dryer, F. L. ; Zhukov, V. P.; Finch, O.; Simmie, J. M.; and Curran, H. J. Methyl Formate Oxidation: Speciation Data, Laminar Burning Velocities, Ignition Delay Times and a Validated Chemical Kinetic Model, Int. J. Chem. Kinet., 42, 527-549 (2010).
  37. Vasu, Subith; Davidson, David F.; Hanson, Ronald K.; and Golden, David Measurements of the Reaction of OH with n-Butanol at High Temperatures, Chem. Phys. Lett., 497, 26-29 (2010).
  38. Alecu, I. M.; Zheng, J.; Zhao, Y.; and Truhlar, D. G. Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries, J. Chem. Theory Comput., 6, 2872-2887 (2010).
  39. Van Geem, K. M.; Pyl, S. P.; Marin, G. B.; Harper, M. R.; and Green, W. H. Accurate High-Temperature Reaction Networks for Alternative Fuels: Butanol Isomers, Ind. Eng. Chem. Res., 49, 10399-10420 (2010).
  40. Sun, Wenting; Chen, Zheng; Gou, Xiaolong; and Ju, Yiguang A Path Flux Analysis Method for the Reduction of Detailed Chemical Kinetic Mechanisms, Combust. Flame, 157, 1298-1307 (2010).
  41. Vasu, Subith; Zador, J.; Davidson, David F.; Hanson, Ronald K.; Golden, David; and Miller, James A. High-Temperature Measurements and a Theoretical Study of the Reaction of OH with 1,3-Butadiene, J. Phys. Chem., 114, 8312-8318 (2010).
  42. Gou, Xiaolong; Sun, Wenting; Chen, Zheng; and Ju, Yiguang A dynamic multi-timescale method for combustion modeling with detailed and reduced chemical kinetic mechanisms, Combust. Flame, 157, 1111-1121 (2010).
  43. Zheng, J.; and Truhlar, D. G. Kinetics of Hydrogen-Transfer Isomerizations of Butoxyl Radicals, Phys. Chem. Chem. Phys., 12, 7782-7793 (2010).
  44. Burke, M. P.; Chaos, M.; Dryer, F. L. ; and Ju, Yiguang Negative pressure dependence of mass burning rates of H2/CO/O2/diluent flames at low flame temperatures, Combust. Flame, 157, 618-631 (2010).
  45. Chen, Zheng; Gou, Xiaolong; and Ju, Yiguang Studies on the Outwardly and Inwardly Propagating Spherical Flames with Radiative Loss, Combust. Sci. Technol., 182, 124–142 (2010).
  46. Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Meloni, Giovanni; Trevitt, Adam J.; Epifanovsky, Evgeny; Krylov, Anna I.; Sirjean, Baptiste; Dames, Enoch; and Wang, Hai Products of the Benzene + O(3P) Reaction, J. Phys. Chem. A., 114, 3355-3370 (2010).
  47. Gou, Xiaolong; Sun, Wenting; Chen, Zheng; and Ju, Yiguang A dynamic multi-timescale method for combustion modeling with detailed and reduced chemical kinetic mechanisms, Combust. Flame, (2010). [10.1016/j.combustflame.2010.02.020]
  48. Sun, Wenting; Chen, Zheng; Gou, Xiaolong; and Ju, Yiguang A path flux analysis method for the reduction of detailed chemical kinetic mechanisms, Combust. Flame, (2010). [10.1016/j.combustflame.2010.03.006]
  49. Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Meloni, Giovanni; Trevitt, Adam J.; Epifanovsky, Evgeny; Krylov, Anna I.; Sirjean, Baptiste; Dames, Enoch; and Wang, Hai Products of the Benzene + O(3P) Reaction, J. Phys. Chem. A, 114, 3355–3370 (2010). [10.1021/jp9114145]
  50. Veloo, Peter S.; Wang, Yang L.; Egolfopoulos, Fokion N.; and Westbrook, Charles K. A comparative experimental and computational study of methanol, ethanol, and n-butanol flames, Combust. Flame, (2010). [10.1016/j.combustflame.2010.04.001]
  51. Won, Sang Hee; Sun, Wenting; and Ju, Yiguang Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames, Combust. Flame, (2010). [10.1016/j.combustflame.2009.11.016]

Conference proceedings and extended abstracts

  1. G. Bansal, and J. H. Chen, “A Computational Study of Pulsating Instabilities in Externally Forced 1D and 2D Premixed Flames,” 7th US National Technical Meeting of the Combustion Institute, March 20-23, 2011.
  2. G. Bansal, A. Mascarenhas, and J. H. Chen, “Identification of Intrinsic Low Dimensional Manifolds in Turbulent Combustion using an Isomap based technique,” 7th US National Technical Meeting of the Combustion Institute, March 20-23, 2011.
  3. M. P. Burke, M. Chaos, Y. Ju, F. L. Dryer, S. J. Klippenstein, “Comprehensive H2/O2 Kinetic Model with Assessment of Commonly Neglected Processes”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  4. P. Diévart, S. Dooley, S-H Won, M. Uddi, F. L. Dryer, Y. Ju, “Kinetic Studies and Experimental Assessment of High Temperature Oxidation of Methyl Decanoate”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  5. J. Heyne, J. Lefkowitz, F. M. Haas, S-H. Won, S. Dooley, H. H. Kim, S. Jahangirian, F. L. Dryer, Y. Ju, “Combustion Kinetics Study of t-butanol”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011. 
  6. J. Heyne, J. Lefkowitz, F.M. Haas, S-H. Won, S. Dooley, H. H. Kim, S. Jahangirian, F. L. Dryer, Y. Ju, “Combustion Kinetics Study of t-butanol and its Principal Intermediates i-Butene, Acetone, and Methane”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  7. J. Santner, M. P. Burke, F. L. Dryer, Y. Ju, “High Pressure Burning Rates and Evaluation of Model Performance for C1-C2 Flames with Varied Hydrogen Content”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  8. Z. Serinyel, S. Dooley, T. I. Farouk, S. Jahangirian, H. J. Curran, F. L. Dryer, “A Pyrolytic Flow Reactor Study of iso-Propanol”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  9. M. Burke, Y. Ju, F. Dryer, M. Chaos and S. Klippenstein, “Kinetic Modeling of the H2/O2 Reaction in High Pressure Flames”, 49th Annual Aerospace Sciences Meeting, Orlando, FL, Jan. 4-7, 2011. AIAA-2011-0093.
  10. P. Dievart, S. Won, M. Uddi, S. Dooley, F. Dryer, Y. Ju, “Measurements of Extinction Limits of Methyl Decanoate Diffusion Flames and A Kinetic Study”, 49th Annual Aerospace Sciences Meeting, Orlando, FL, Jan. 4-7, 2011. AIAA2011-0697.
  11. J. Lefkowitz, J. Heyne, F. Haas, S. Won, S. Dooley, F. Dryer, Y. Ju, “Classical Kinetic Study of the Alternative Transport Fuel, Tertiary Butanol”, 49th Annual Aerospace Sciences Meeting, Orlando, FL, Jan. 4-7, 2011. AIAA 2011-0698.
  12. J. Santner, M. Burke, Y. Ju, F. Dryer, “High Pressure Burning Rates and Model Comparisons for High-Hydrogen CO, CH4, C2H4, C2H6 Mixtures”, 49th Annual Aerospace Sciences Meeting, Orlando, FL, Jan. 4-7, 2011. AIAA-2011-0242.
  13. P. S. Veloo, F. N. Egolfopoulos, "Studies of Non-Premixed Flames of C3 and C4 Saturated Alcohols,” Paper No. 10S-019 Spring Technical Meeting, Western States Section/Combustion Institute, University of Colorado at Boulder, Boulder, Colorado, March 21-23, 2010.
  14. P. S. Veloo, C. K. Westbrook, F. N. Egolfopoulos, "Combustion characteristics of C3 and C4 aldehydes and ketones," Paper 1F01, 7th US Combustion Meeting, Atlanta, Georgia, March 20-23, 2011.
  15. Y. L. Wang, C. K. Westbrook, T. T. Tsotsis, F. N. Egolfopoulos, "Oxidation of small methyl and ethyl esters in flames," Paper 1F02, 7th US Combustion Meeting, Atlanta, Georgia, March 20-23, 2011.
  16. O. Park, P. S. Veloo, F. N. Egolfopoulos, "Effect of water vapor addition on the extinction of premixed and non-premixed H2/CO/air flames," Paper 1E13, 7th US Combustion Meeting, Atlanta, Georgia, March 20-23, 2011.
  17. O. Park, P. S. Veloo, and F. N. Egolfopoulos, "Flame propagation of C3 and C4 hydrocarbon/air mixtures," Paper 2D12, 7th US Combustion Meeting, Atlanta, Georgia, March 20-23, 2011.
  18. J. Lefkowitz, J. Heyne, F. Haas, S-H Won, S. Dooley, F. L. Dryer, Y. Ju, “Chemical Kinetic Study of the Alternative Transport Fuel, tertiary-Butanol,” AIAA-2011-698, 49th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition, Orlando, Florida, Jan. 4-7, 2011.
  19. J. S. Santner, M. P. Burke, F. L. Dryer, Y. Ju, “High pressure burning rates and kinetic assessment of mechanisms using high hydrogen content CO2, CH4, C2H4, and C2H6 flames,” Paper 1E14, 7th U.S. National Combustion Meeting, March 20-23, 2011, Georgia Institute of Technology, Atlanta GA.
  20. S-H Won, S. Dooley, F. L. Dryer, Y. Ju, “Assessments of kinetic contribution on extinction limits of diffusion flames for large hydrocarbon fuels: a radical index,” Paper 3C01, 7th U.S. National Combustion Meeting, March 20-23, 2011, Georgia Institute of Technology, Atlanta GA.
  21. B. Yang, H. Wang, E. Dames, N. Hansen, S. Skeen, and T. A. Cool, “Experimental and Modeling Study of the Oxidation of Isobutane and Isobutene,” 7th US National -Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  22. B. Yang, T. A. Cool, C. K. Westbrook, N. Hansen, and K. Kohse-Höinghaus, “The Effect of Carbon‐Carbon Double Bonds on the Combustion Chemistry of Fatty Acid Esters,” 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  23. N. Hansen, M. R. Harper, and W. H. Green, “High-Temperature Oxidation Chemistry of n-Butanol in Low-Pressure Premixed Flames,” 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  24. R. D. Cook, R. Sur, I. Stranic, D. F. Davidson, R. K. Hanson, M. R. Harper, W. H. Green, “Measurements of OH and H2O Time-Histories in n-Butanol Pyrolysis,” Paper 66, 7th International Conference on Chemical Kinetics, Cambridge MA, July 7-14, 2011.
  25. M. Campbell, D. F. Davidson, R. K. Hanson, “A Second-Generation Aerosol Shock Tube and its Use in Studying Ignition Delay Times of Large Methyl Esters” Presentation, Thermo Sciences Affiliates Meeting, Stanford CA, Feb 2-4, 2011.
  26. D. P, Chase, I. Stranic, J. T. Harmon, S. Yang, D. F. Davidson, R. K. Hanson, “Shock Tube Measurements of Ignition Delay Times for Butanol Isomers,” 7th US Combustion Meeting, Atlanta GA, March 20-23, 2011.
  27. M. Campbell, D. F. Davidson, R. K. Hanson, “A Second-Generation Aerosol Shock Tube and its Use in Studying Ignition Delay Times of Large Methyl Esters,” 28th International Symposium on Shock Waves, Manchester UK, July 17-22, 2011.
  28. R. Cook, R. K. Hanson, D. F. Davidson “Multi-Species Laser Measurements for Validation of Oxygenated Fuel Mechanisms,” 28th International Symposium on Shock Waves, Manchester UK, July 17-22, 2011.
  29. 29. M. L. Botero, D. L. Zhu, A. Molina, C. K. Law, “Combustion characteristics of biodiesel/alcohol droplets,” Paper No. W2P101, 33rd International Symposium on Combustion, Beijing, China, August 1-6, 2010.
  30. Z. Y. Luo, C. S. Yoo, E. S. Richardson, J. H. Chen, C. K. Law, T. F. Lu, “Chemical explosive mode analysis for a turbulent lifted ethylene jet flame in highly-heated co-flow,” Paper No. W5P021, 33rd International Symposium on Combustion, Beijing, China, August 1-6, 2010.
  31. C. K. Law, “Fuel options for next generation chemical propulsion,” Conference Dryden Lecture, Paper No. 2011-1, 49th AIAA Aerospace Sciences Meeting, Orlando, FL., Jan. 4-7 2011. 
  32. M. L Botero, Y. Huang, D. L. Zhu, A. Molina, C. K. Law, “Droplet combustion of ethanol, diesel, castor oil biodiesel, and their mixtures,” Paper No. 1D07, 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  33. F, Wu, A. P. Kelley, D. Zhu, C. K. Law, “Measurements and correlation of laminar Flame speeds of CO and C2-hydrocarbons with hydrogen addition at atmospheric and elevated pressures,” Paper No. 1E10, 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  34. P. Zhang, H. Sun, C. K. Law, “Secondary channels in the thermal decomposition of monomethylhydrazine (CH3NHNH2),” Paper No. 2A01, 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  35. H. Sun, P. Zhang C. K. Law, “Thermal decomposition of monomethylhydrazine: reaction mechanism and kinetic modeling,” Paper No. 2A04, 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  36. S. Chaudhuri, V. Akkerman, C. K. Law, “Turbulent flame speed and its modification by Darrieus-Landau instability,” Paper No. 2C07, 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  37. H. Wang and S. B. Pope, “Parametric PDF studies of turbulent premixed stratified flames”, 7th US National Combustion Meeting, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011.
  38. H. Wang and S. B. Pope, “LES/PDF Modeling of Turbulent Lifted Jet Flames in a Vitiated Co-Flow”, 13th international conference on numerical combustion, Corfu, Greece, April 27-29, 2011.
  39. H. Wang, P. P. Popov, V. Hiremath, S. R. Lantz, S. Viswanathan, S. B. Pope, “Large-eddy simulation/probability density function modeling of local extinction and re-ignition in Sandia flame E”, 63rd Annual Meeting of the APS Division of Fluid Dynamics, Long Beach, California, November 21-23, 2010.
  40. H. Wang, S. B. Pope, “LES/PDF modeling of a turbulent Ch4/H2/N2 jet flame”, poster in: Thirty-third International Symposium on Combustion, Beijing, China, August, 2010
  41. H. Wang, S. B. Pope, “Development of an LES/PDF Code and Its Application to Flame D”, in: TNF10 workshop, Tsinghua University, Beijing, China, July, 2010
  42. C. J. Sung, A.K. Das, “Ignition Delay Study of Moist Syngas/Oxidizer and Hydrogen/Oxidizer Mixtures using a Rapid Compression Machine,” Forty-Ninth Aerospace Sciences Meeting, AIAA Paper No. 2011-91 (2011).
  43. Y. Zhang, K. Kumar, C. J. Sung, “Autoignition of Binary Fuel Blends of n-Butanol and n-Heptane in a Rapid Compression Machine,” Forty-Ninth Aerospace Sciences Meeting, AIAA Paper No. 2011-92 (2011).
  44. B. W. Weber, K. Kumar, C. J. Sung, “Autoignition of Butanol Isomers at Low to Intermediate Temperature and Elevated Pressure,” Forty-Ninth Aerospace Sciences Meeting, AIAA Paper No. 2011-316 (2011).
  45. B. W. Weber, C. J. Sung, “A Rapid Compression Study of the Butanol Isomers at Elevated Pressure,” Seventh Joint Meeting of the U.S. Sections of the Combustion Institute, Atlanta, GA, 2011.
  46. Y. X. Xin, C. J. Sung, C. K. Law, “A Mechanistic Study of Soret Diffusion in n-Heptane/Air Flames,” Seventh Joint Meeting of the U.S. Sections of the Combustion Institute, Atlanta, GA, 2011. 
  47. D. G. Truhlar, I. M. Alecu, “Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals,” 240th ACS National Meeting, Boston, August 22-26, 2010, abstract PHYS-360.
  48. D. G. Truhlar, I. M. Alecu, “Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals,” Joint Meeting: Multi-Agency Coordinating Committee for Combustion Research (MACCCR) Fuels Research Review and Combustion Energy Frontier research Center (CEFRC) First Annual Meeting, Plainsboro, NJ, Sept. 23, 2010.
  49. B. Yang, H. Wang, N. Hansen, S. Skeen, T. A. Cool, “Experimental and modeling study the oxidation of isobutane and isobutene,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 1A13.
  50. J. Camacho, S. Lieb, H. Wang, “Formation of soot in laminar premixed n-butanol and isobutanol flames,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 2H08.
  51. J. Camacho, S. Lieb, H. Wang, “A comparative study of the sooting properties of laminar premixed flames of C6 hydrocarbons,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 3H01.
  52. S. Memarzadeh, C. Thompson, H. Wang, “Dependence of TiO2 crystal phase on flame synthesis conditions,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, 3F06.
  53. S. Memarzadeh, D. J. Phares, H. Wang, “Dye sensitized solar cells fabricated by flame stabilized on a rotating surface,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, 3F05.
  54. R. Tangko, D. A. Sheen, H. Wang, “Combustion kinetic modeling using multispecies time-histories in shock-tube oxidation of n-dodecane,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 2A18.
  55. D. A. Sheen, H. Wang, “Modeling the pressure dependence of H2/O2/diluent mass burning rates,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 1B07.
  56. D. A. Sheen, H. Wang, “Combustion kinetic modeling using multispecies time-histories in shock-tube oxidation of heptane,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 1A14.
  57. S. Koumlis, H. Wang, “Scattering of noble gas molecules and transition metal nanoparticles: A molecular dynamics study,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 2F10.
  58. S. Gao, D. J. Phares, H. Wang, “Molecule/particle beams detection by fast superconducting bolometers,” 7th US National Meeting of Combustion, Atlanta, Georgia, March 20-23, 2011, paper 2H15. 

Invited presentations

Carter

  • “How Quantum Mechanics Can Help Solve Our Energy Problems,” Davidson Lectureship, Department of Chemistry, University of North Texas, Denton, TX, March 4, 2011.
  • “Fast Yet Accurate Algorithms for Multireference Ab Initio Electron Correlation Treatment of Large Molecules,” Department of Chemistry, University of North Texas, Denton, TX, March 3, 2011.
  • “Fast Yet Accurate Algorithms for Multireference Ab Initio Electron Correlation Treatment of Large Molecules,” at the Pacifichem 2010 Congress, Honolulu, HI, December 20, 2010.
  • “How Quantum Mechanics Can Help Solve Our Energy Problems,” at the Frontiers in Renewable Energy Sciences and Technologies Workshop, Cambridge, MA, September 30, 2010.
  • “Multireference Correlated Wavefunction Calculations and Reaction Flux Analyses of Methyl Ester Combustion,” at the Annual Conference for the Combustion Energy Frontier Research Center, Princeton, NJ, September 23, 2010.
  • “How Quantum Mechanics Can Help Solve Our Energy Problems,” at the Meeting of the National Research Council Board on Chemical Sciences and Technology, Woods Hole, MA, August 26, 2010.
  • “Efficient Ab Initio Multireference Electron Correlation Methods for Ground and Excited States,” at the Molecular Quantum Mechanics 2010 Conference, Berkeley, CA, May 27, 2010.

Chen

  • Plenary Invited Presentation “Petascale Direct Numerical Simulation of Turbulent Combustion –Fundamental Insights Towards Predictive Models,” Beijing, 2010. Proc. Combust. Inst. 33(2011) 99-123.
  • Dryer
  • “Surrogate Mixtures for Describing Real Fuel Combustion: Challenges and Recent Progress”, 7th US National Combustion Meeting of the Combustion Institute, Georgia Institute of Technology, Atlanta, GA, March 20-23, 2011. Invited Topical Paper.

Ju

  • “Fuels chemistry and surrogate modeling,” Workshop on Combustion Science in an Energy-Constrained World, Tsinghua University, China, July 31, 2010.
  • ”A Dynamic Multi-Timescale Method for Kinetic Model Reduction and Direct Numerical Simulation of HCCI Combustion,” Combustion and Fuels Workshop, Shanghai Jiaotong University, China, Aug.9-10, 2010.

Klippenstein

  • “Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition”, 33rd International Symposium on Combustion – The Combustion Institute, Atlanta, GA, August 1-6, 2010.
  • Green
  • “Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion”, AIChE Annual Meeting, Salt Lake City, UT, November 7-12, 2010.
  • “Accurate Reaction Networks for Alternative Fuels: Butanol Isomers”, 21st International Symposium on Chemical Reaction Engineering, Philadelphia, PA, USA, June 13- 6, 2010. 
  • “Redesigning Combustion Modeling Algorithms for the Graphics Processing Unit (GPU): Chemical Kinetic Rate Evaluation and Ordinary Differential Equation Integration”, 7th US National Technical Meeting of the Combustion Institute, Atlanta, GA, March 20-23, 2011.
  • “A multi-approach algorithm for enabling efficient application of very large, highly detailed reaction mechanisms in multi-dimensional HCCI engine simulations”, 7th US National Technical Meeting of the Combustion Institute, Atlanta, GA, March 20-23, 2011.
  • Hansen
  • “High-temperature oxidation chemistry of n-butanol in low pressure premixed flames”, 7th US National Technical Meeting of the Combustion Institute, Atlanta, GA, March 20-23, 2011.

Law

  • "Some recent advances in combustion science for propulsion applications", Annual Advanced Propulsion Meeting, Office of Naval Research, Arlington, VA, June 24, 2010. 
  • "Ignition, propagation, and morphology of expanding spherical flames", Keynote Lecture, Workshop on Fuels and Combustion, Wu Zhen, China, August 9, 2010. 
  • "Fuel options for next-generation chemical propulsion", Dryden Lecture, Aerospace Sciences Meeting, AIAA, Orlando, FL, Jan. 3-7, 2011.

Pope

  • "Stochastic Lagrangian Models for Turbulent Flows" Georgia Institute of Technology, Aerospace Engineering, October 21, 2010.
  • "Advances in Computer Simulations of Turbulent Combustion" University of Southern California, Mechanical Engineering, February 23, 2011.
  • "Advances in Computer Simulations of Turbulent Combustion" California Institute of Technology, GALCIT, February 24, 2011.
  • Sung
  • “Rapid Compression Machine Studies on Autoignition of Next Generation Fuels,” Argonne National Laboratory, Washington, DC, August 24, 2010.

Truhlar

  • “Computation of Accurate Thermochemical and Rate Parameters for Complex Combustion Reactions” Joint Meeting: Multi-Agency Coordinating Committee for Combustion Research (MACCCR) Fuels Research Review and Combustion Energy Frontier research Center (CEFRC) First Annual Meeting, Plainsboro, NJ, Sept. 23, 2010.
  • “Density Functional Theory for Kinetics, Catalysis, and Organometallic Complexes,” invited lecture, National ACS Meeting, Boston, Aug. 24, 2010.