Horizontal Combinations

Combustion Kinetics Laboratory

Aerospace and Mechanical Engineering

Professor Hai Wang

                                                                                                                                                                                                                                                                                                                                                                                                                

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Peer-Reviewed Journal Articles

1.       Smallbone, A., Liu, W., Law, C.-K., You, X., Wang, H. “Experiment and modeling study of laminar flame speed and non-premixed counterflow ignition of n-heptane,” Proceedings of the Combustion Institute, submitted 2008.

2.       Holley, A. T., You, X., Dames, E., Wang, H., Egolfopoulos, F. N. “Sensitivity of propagation and extinction of large hydrocarbon flames to fuel diffusion,” Proceedings of the Combustion Institute, submitted 2008.

3.       Tolmachoff, E. D., Abid, A. D. Phares, D. J., Campbell, C. S., Wang, H. “Synthesis of nano-phase TiO2 crystalline films over premixed stagnation flames,” Proceedings of the Combustion Institute, submitted 2007.

4.       Sheen, D. A., You, X., Wang, H., Løvås, T. “Spectral uncertainty quantification, propagation and optimization of a detailed kinetic model for ethylene combustion,” Proceedings of the Combustion Institute, submitted 2007.

5.       Abid, A. D., Tolmachoff, E. D., Phares, D. J., Wang, H., Liu, Y., Laskin A. “Size distribution and morphology of nascent soot in premixed ethylene flames with and without benzene doping,” Proceedings of the Combustion Institute, submitted 2007.

6.       You, X., Egolfopoulos, F. N., Wang, H. “Detailed and simplified kinetic models of n-dodecane oxidation: The role of fuel cracking in aliphatic hydrocarbon combustion,” Proceedings of the Combustion Institute, submitted 2007.

7.       Ji, C., You, X., Holley, A.T., Wang, Y.L., Egolfopoulos, F. N., Wang, H. “Propagation and extinction of premixed n-dodecane/air flames,” Proceedings of the Combustion Institute, submitted 2007.

8.       Wang, H. “Transport properties of small spherical particles,” Annals of the New York Academy of Science (Interdisciplinary Transport Phenomena V: Fluid, Thermal, Biological, Materials & Space Sciences, S. S. Sadhal Ed.), in press, 2008.

9.       Abid, A. D., Heinz, N., Tolmachoff, E. D., Phares, D. J., Campbell, C. S., Wang, H. “On the evolution of particle size distribution functions of soot in premixed ethylene-oxygen-argon flames,” Combustion and Flame, submitted 2007.

10.    Liu, Y., Yang, Z., Dessyaterik, Y., Gassman, P. L., Wang, H., and Laskin, A. “Hygroscopic behavior of substrate deposited aerosols studied by micro-FTIR spectroscopy and complementary methods of particle analysis,” Analytical Chemistry, in press, 2008.

11.    Liu, Y., Gibson, E. R., Cain, J. P., Wang, H., Grassian, V. H., Laskin, A. “Kinetics of heterogeneous reaction of CaCO3 particles with gaseous HNO3 over a wide range of humidity,” Journal of Physical Chemistry A, in press, 2008.

12.    Cathey, C., Cain, J., Wang, H., Gundersen, M. A., Carter, C., Ryan, M. “OH production by transient plasma and mechanism of flame ignition and propagation in quiescent methane-air mixtures,” Combustion and Flame, submitted, 2007.

13.    McGarry, M., Petrova, M., Wang, H. “A numerical and analytical study of thermally-driven combustion oscillations in a perfectly stirred reactor,” Journal of Heat Transfer, in press, 2008.

14.    Zhao, B., Uchikawa, K., McCormick, J. R., Chen, J., and Wang, H. “Properties of flame prepared TiO2 nanoparticles.” Journal of Aerosol Science, submitted, 2007.

15.    Liu, Y., Cain, J. P., Wang, H., Laskin, A. “Kinetic study of heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 using particle-on-substrate stagnation flow reactor approach,” (Feature article) Journal of Physical Chemistry A, 111, pp. 10026-10043 (2007).

16.    You, X., Wang, H., Goos, E., Sung, C. J., Klippenstein, S. J. “Reaction Kinetics of CO+HO2 → products: ab initio transition state theory study with master equation modeling,” Journal of Physical Chemistry A, 111, pp. 4031-4042 (2007).

17.    Sivaramakrishnan, R., Comandini, A., Tranter, R. S., Brezinsky, K., Davis, S. G. and Wang, H. “Combustion of CO/H2 mixture at elevated pressures,” Proceedings of the Combustion Institute, 31, pp. 429-437 (2007).

18.    Zhao, B., Uchikawa, K., and Wang, H. “A comparative study of nanoparticles in premixed flames by scanning mobility particle sizer, small angle neutron scattering, and transmission electron microscopy,” Proceedings of the Combustion Institute, 31, pp. 851-860 (2007).

19.    Thierley, M., Grotheer, H.-H., Aigner, M., Yang, Z., Abid, A. D., Zhao, B. and Wang, H. “On existence of nanoparticles below sooting threshold.” Proceedings of the Combustion Institute, 31, pp. 639-647 (2007).

20.    Ibarreta, A. F., Sung, C.-J., and Wang, H. “Experimental characterization of premixed spherical ethylene/air flames under sooting conditions.” Proceedings of the Combustion Institute, 31, pp. 1047-1054 (2007).

21.    Laskin, A., Wang, H., Robertson, W. H., Cowin, J. P., Ezell, M. J., Finlayson-Pitts, B. J. “A new approach to determining gas-particle reaction probabilities and application to the heterogeneous reaction of deliquesced sodium chloride particles with gas-phase hydroxyl radicals,” Journal of Physical Chemistry A 110, 10619-10627 (2006).

22.    Singh, J., Patterson, R. I. A., Kraft, M., and Wang, H. “Numerical simulation and sensitivity analysis of detailed soot particle size distribution in laminar premixed ethylene flames.” Combustion and Flame, 145, pp. 117-127 (2006).

23.    Joshi, A. V. and Wang, H. “Master equation modeling of wide temperature and pressure dependence of CO + OH ® products.” International Journal of Chemical Kinetics, 38, pp. 57-73 (2006).

24.    Joshi, A. V., You, X., Barckholtz, T., and Wang, H., “Thermal decomposition of ethylene oxide: potential energy surface, master equation analysis and detailed kinetic modeling.” Journal of Physical Chemistry A 109, pp. 8016-8027 (2005).

25.    Li, Z. and Wang, H. “Comment on: ‘Phenomenological description of mobility of nm- and sub-nm-sized charged aerosol particles in electric field’ by Shandakov, S. D., Nasibulin, A. G. and Kauppinen, E. I.” Journal of Aerosol science, 37, pp. 111-114 (2005).

26.    Dong, Y., Holley, A. T., Andac, M. G., Egolfopoulos, F. N., Davis, S. G., Middha, P., and Wang, H. “Premixed extinction of H2/air flames: chemical kinetics and molecular diffusion effects.” Combustion and Flame, 142, pp.374-387 (2005).

27.    Li, Z. and Wang, H. “Gas-nanoparticle scattering: A molecular view of momentum accommodation function.” Physical Review Letters, 95, paper 014502 (2005).

28.    Öktem, B., Tolocka, M. P., Zhao, B., Wang, H., and Johnston, M. V. “Chemical species associated with the early stage of soot growth in a laminar premixed ethylene-oxygen-argon flame.” Combustion and Flame, 142, pp. 364-373 (2005).

29.    Middha, P. and Wang, H. “First-principle calculation for the high-temperature diffusion coefficients of small pairs:  the H-Ar case.” Combustion Theory and Modeling 9, pp. 353-363 (2005).

30.    Ibarreta, A. F., Sung, C.-J., Hirasawa, T., and Wang, H. “Burning velocity measurements of microgravity spherical sooting premixed flames using Rainbow Schlieren Deflectometry.” Combustion and Flame, 140, pp. 93-102 (2005).

31.    Zhao, B., Uchikawa, K., McCormick, J. C., Ni, C. Y., Chen, J. G., and Wang, H. “Ultrafine anatase TiO2 nanoparticles produced in premixed ethylene stagnation flame at 1 atm.” Proceedings of the Combustion Institute, 30, pp.2569-2576 (2005).

32.    Davis, S. G., Joshi, A. V., Wang, H., and Egolfopoulos, F., “An optimized kinetic model of H2/CO combustion.” Proceedings of the Combustion Institute, 30, pp. 1283-1292 (2005).

33.    Zhao, B., Yang, Z., Li, Z., Johnston, M. V., and Wang, H. “Particles size distribution function of incipient soot in laminar premixed ethylene flames: effect of flame temperature.” Proceedings of the Combustion Institute, 30, 1441-1448 (2005).

34.    Hirasawa, T., Sung, C.-J., Yang, Z., Joshi, A., and Wang, H. “Effect of ferrocene addition on sooting limits in ethylene/oxygen/argon laminar premixed flames.” Combustion and Flame, 139, pp. 288-299 (2004).

35.    Li, Z. and Wang, H. “Thermophoretic force and velocity of small spherical particles in free molecule regime.” Physical Review E, 70, paper 021205 (2004).

36.    McCormick, J. R., Zhao, B., Rykov, S., Wang, H., and Chen, J. G. “Thermal stability of flame-synthesized anatase TiO2 nanoparticles.” Journal of Physical Chemistry B 108, pp. 17398-17402 (2004).

37.    Li, Z. and Wang, H. “Drag force, diffusion coefficient and electric mobility of small particles.  I.  Theory applicable to free molecular regime.” Physical Review E 68, paper 061206 (2003).

38.    Li, Z. and Wang, H. “Drag force, diffusion coefficient and electric mobility of small particles.  II. Applications.” Physical Review E  68, paper 061207 (2003).

39.    Mhadeshwar, A. B., Wang, H., and Vlachos, D. G. “Thermodynamic consistency in microkinetic development of surface reaction mechanisms.” Journal of Physical Chemistry B 107, pp. 12721-12733 (2003).

40.    Law, C. K., Sung, C. J., Wang, H., and Lu, T. F. “Development of comprehensive detailed and reduced reaction mechanisms for combustion modeling.” (review paper) AIAA Journal 41, 1629-1646 (2003).

41.    Davis, S. G., Mhadeshwar, A. B., Vlachos, D. G., and Wang, H. “A new approach to response surface development for detailed gas-phase and surface reaction kinetic model development and optimization.” International Journal of Chemical Kinetics 36, 94-106 (2003).

42.    Zhao, B., Yang, Z., Wang, J., Johnston, M. V. and Wang, H. “Analysis of soot nanoparticles in a laminar premixed ethylene flame by scanning mobility particle sizer.” Aerosol Science and Technology 37, 611-620 (2003).

43.    Zhao, B., Yang, Z., Johnston, M. V., Wang, H., Wexler, A. S., Balthasar, M., and Kraft, M. “Measurement and numerical simulation of soot particle size distribution functions in a laminar premixed ethylene-oxygen-argon flame.” Combustion and Flame 133, pp. 173-188 (2003).

44.    Wang, H., Zhao, B., Wyslouzil, B. and Streletzky, K., “Small-angle neutron scattering of soot formed in laminar premixed ethylene flames.” Proceedings of the Combustion Institute 29, pp. 2749-2757 (2002).

45.    Hirasawa, T., Sung, C. J., Joshi, A., Yang, Z., Wang, H. and Law, C. K., “Determination of laminar flame speeds of fuel blends using digital particle image velocimetry: ethylene, n-butane, and toluene flames.” Proceedings of the Combustion Institute 29, pp. 1427-1434 (2002).

46.    Middha, P., Yang, B., and Wang, H., “A first-principle calculation of the binary diffusion coefficients pertinent to kinetic modeling of hydrogen-oxygen-helium flames.” Proceedings of the Combustion Institute 29, pp. 1361-1369 (2002).

47.    Balthasar, M., Mauss, F. and Wang, H., “A computational study of particle thermal ionization and its effect on soot mass growth in laminar premixed flames.” Combustion and Flame, 129, pp.204-216 (2002).

48.    Kiefer, J. H., Tranter, R. S., Wang, H. and Wagner, A. F., “Thermodynamic functions for the cyclopentadienyl radical: the effect of Jahn-Teller distortion.” International Journal of Chemical Kinetics 33, pp. 834-845 (2001).

49.    Wang, H., “A new mechanism for initiation of free-radical chain reactions during high-temperature, homogeneous oxidation of unsaturated hydrocarbons: ethylene, propyne, and allene.” International Journal of Chemical Kinetics 33, pp. 698-706 (2001).

50.    Wang, H., Laskin, A., Moriarty, A. and Frenklach, M., “On unimolecular decomposition of phenyl radical.” Proceedings of the Combustion Institute, 28, pp. 1545-1518 (2000).

51.    Qin, Z., Lissianski, V., Yang, H., Gardiner, W. C., Jr., Davis, S. G. and Wang, H. “Combustion chemistry of propane: A case study of detailed reaction mechanism optimization.” Proceedings of the Combustion Institute, 28, pp. 1663-1669 (2000).

52.    Wang, H., “Effect of transiently bound collision on binary diffusion coefficients of free-radical species.” Chemical Physics Letters 325, pp. 661-667 (2000).

53.    Laskin, A., Wang, H. and Law, C. K., “Detailed kinetic modeling of 1,3-butadiene oxidation at high temperatures.” International Journal of Chemical Kinetics 32, pp. 589-614 (2000).

54.    Leylegian, J. C., Law, C. K. and Wang, H., “Laminar flame speeds and oxidation kinetics of tetrachloromethane.” Proceedings of the Combustion Institute 27, pp. 529-536 (1999).

55.    Sung, C. J., Li, B., Wang, H. and Law, C. K., “Structure and sooting limits in counterflow methane/air and propane/air diffusion flames from 1 to 5 atmospheres.” Proceedings of the Combustion Institute 27, pp. 1523-1529 (1999).

56.    Davis, S. G., Law, C. K. and Wang, H. “An experimental and kinetic modeling study of propyne oxidation.” Proceedings of the Combustion Institute 27, pp. 305-312 (1999).

57.    Laskin, A. and Wang, H., “On initiation reactions of acetylene oxidation in shock tubes. A quantum mechanical and detailed kinetic modeling study.” Chemical Physics Letters 303, pp. 43-49 (1999).

58.    Davis, S. G., Law, C. K. and Wang, H., “Propene pyrolysis and oxidation kinetics in flow reactor and laminar flames.” Combustion and Flame 119, pp. 375-399 (1999).

59.    Saso, Y., Ogawa, Y., Saito, N. and Wang, H., “Binary CF3Br- and CHF3-inert flame suppressants: effect of temperature on the flame inhibition effectiveness of CF­3Br and CHF3.” Combustion and Flame 118, 489-499 (1999).

60.    Davis, S. G., Law, C. K. and Wang, H., “Propyne pyrolysis in a flow reactor: an experimental, RRKM, and detailed kinetic modeling study.” Journal of Physical Chemistry A 103, pp. 5889-5899 (1999).

61.    Fotache, C. G., Wang, H. and Law, C. K., “Ignition of ethane, propane, and butane in counterflow jets of cold fuel versus hot air under variable pressures.” Combustion and Flame 117, pp. 777-794 (1999).

62.    Wang, H. and Brezinsky, K., “Computational study of the thermochemistry of cyclopentadiene derivatives and kinetics of cyclopentadienone thermal decomposition.” Journal of Physical Chemistry A, 102, pp. 1530-1541 (1998).

63.    Leylegian, J. C., Wang, H., Zhu, D. L. and Law, C. K., “Experiments and numerical simulation on the laminar flame speeds of dichloromethane and trichloromethane.” Combustion and Flame 114, pp. 285-302 (1998).

64.    Saso, Y., Zhu, D. L., Law, C. K., Wang, H. and Saito, N., “Laminar burning velocities of trifluoromethane-methane mixtures: experiment and numerical simulation.” Combustion and Flame 114, pp. 457-468 (1998).

65.    Du, D. X., Wang, H. and Law, C. K.,  “Soot formation in counterflow ethylene diffusion flames from 1 to 2.5 atmospheres.” Combustion and Flame 113, pp. 264-270 (1998).

66.    Wang, H., “High-temperature pyrolysis and oxidation of chlorinated hydrocarbons.” Chemical Industry, 51, pp. 485-500, (1997).

67.    Wang, H. and Frenklach, M. “A detailed kinetic modeling study of aromatics formation, growth and oxidation in laminar premixed ethylene and acetylene flames.” Combustion and Flame 110, pp. 173-221 (1997).

68.    Wang, H., Law, C. K., “Thermochemistry of benzvalene, dihydrobenzvalene and cubane: a high-level computational study.” Journal of Physical Chemistry B 101, pp.3400-3403 (1997).

69.    Wang, H., Sung, C. J. and Law, C. K., “On mild and vigorous oxidation of mixtures of chlorinated hydrocarbons in droplet mixtures.” Combustion and Flame 110, pp.222-238 (1997).

70.    Wang, H., Zhu, D. L., Saso, Y. and Law, C. K. “Effects of ambient water in the combustion enhancement of heavily chlorinated hydrocarbons: studies on droplet combustion.” Proceedings of the Combustion Institute 26, pp. 2413-2420 (1996).

71.    Wang, H., Du, D. X., Sung, C. J. and Law, C. K., “Experiments and numerical simulation on soot formation in opposed-jet ethylene diffusion flames.” Proceedings of the Combustion Institute 26, pp. 2359-2368 (1996).

72.    Frenklach, M., Ting, L., Wang, H. and Rabinowitz, M. J. “Silicon particle formation in pyrolysis of silane and disilane.” Israel Journal of Chemistry 36, pp.293-303 (1996).

73.    Sun, C. J., Sung, C. J., Wang, H. and Law, C. K., “On the structure of non-sooting counterflow ethylene and acetylene diffusion flames.” Combustion and Flame 107, pp.321-335 (1996).

74.    Wang, H., Hahn, T. O., Sung, C. J. and Law, C. K., “Detailed oxidation kinetics and flame inhibition effects of chloromethane.” Combustion and Flame 105, pp.291-307 (1996).

75.    Hunter, T. B., Litzinger, T. A., Wang, H. and Frenklach, M., “Ethane oxidation at elevated pressures in the intermediate temperature regime: experiments and modeling.” Combustion and Flame 104, pp.505-523 (1996).

76.    Davis, S. G., Wang, H., Brezinsky, K. and Law, C. K., “Laminar burning speeds and oxidation kinetics of benzene/air and toluene/air flames.” Proceedings of the Combustion Institute 26, pp. 1025-1033 (1996).

77.    Kazakov, A., Wang, H. and Frenklach, M., “Detailed modeling of soot formation in laminar premixed ethylene flames at a pressure of 10 bar.” Combustion and Flame 100, pp.111-120 (1995).

78.    Yoshihara, Y., Kazakov, A., Wang, H. and, Frenklach, M., “Reduced mechanism of soot formation—application to natural gas fueled diesel combustion.” Proceedings of the Combustion Institute 25, pp. 941-948 (1994).

79.    Kazakov, A., Wang, H. and Frenklach, M., “Parameterization of chemically-activated reactions involving isomerization.” Journal of Physical Chemistry 98, pp.10598-10605 (1994).

80.    Wang, H. and Frenklach, M., “Calculations of rate coefficients for chemically activated reactions of acetylene with vinylic and aromatic radicals.” Journal of Physical Chemistry 98, pp.11465-11489 (1994).

81.    Hunter, T. B., Wang, H., Litzinger, T. A. and Frenklach, M., “The oxidation of methane at elevated pressures: experiments and modeling.” Combustion and Flame 97, pp.201-224 (1994).

82.    Cadwell, B., Wang, H., Feigelson, E. D. and Frenklach, M., “Induced nucleation of carbon dust in red giant stars.” The Astrophysical Journal 429, pp.285-299 (1994).

83.    Wang, H. and Frenklach, M., “Transport properties of polycyclic aromatic hydrocarbons for flame modeling.” Combustion and Flame 96, pp.163-170 (1994).

84.    Wang, H., Weiner, B. and Frenklach, M., “Theoretical study of reaction between phenylvinyleum ion and acetylene.” Journal of Physical Chemistry, 97, pp.10364-10371 (1993).

85.    Wang, H. and Frenklach, M., “Modifications of Troe's falloff broadening.” Chemical Physics Letters 205, pp.271-276 (1993).

86.    Wang, H. and Frenklach, M., “Enthalpies of formation of benzenoid aromatics and radicals.” Journal of Physical Chemistry 97, pp.3867-3874 (1993).

87.    Markatou, P., Wang, H. and Frenklach, M., “A computational study of sooting limits in laminar premixed flames of ethane, ethylene and acetylene.” Combustion and Flame 93, pp.467-482 (1993).

88.    Cline, B., Howard, W., Wang, H., Spear, K. E. and Frenklach, M., “Cyclic deposition of diamond: experimental testing of model predictions.” Journal of Applied Physics 72, pp.5926-5940 (1992).

89.    Frenklach, M., Wang, H. and Rabinowitz, M. J., “Optimization and analysis of large chemical kinetic mechanisms using the solution mapping method—combustion of methane.” Progress in Energy and Combustion Science 18, pp.47-73 (1992).

90.    Frenklach, M. and Wang, H., “Detailed modeling of soot particle nucleation and growth.” Proceedings of the Combustion Institute 23, pp. 1559-1566 (1991).

91.    Wang, H. and Frenklach, M., “Analysis of cyclic deposition of diamond.” Journal of Applied Physics 70, pp.7132-7136 (1991).

92.    Wang, H. and Frenklach, M., “Detailed reduction of reaction mechanism for flame modeling.” Combustion and Flame 87, pp.365-370 (1991).

93.    Morgan, W. A. ., Jr., Feigelson, E. D., Wang, H. and Frenklach, M., “A new mechanism for the formation of meteoritic kerogen-like materials.” Science 252, pp.109-112 (1991).

94.  Frenklach, M. and Wang, H., “Detailed surface and gas-phase chemical kinetics of diamond deposition.” Physical Review B 43, pp.1520-1545 (1991).

95.  Serageldin, M. A. and Wang, H., “A thermogravimetric study of coal decomposition under ignition conditions.” Thermochimica Acta 171, pp.193-206 (1990).

96.    Serageldin, M. A. and Wang, H., “A thermogravimetric study of the decomposition rate of chlorinated polyethylenes under ignition conditions.” Thermochimica Acta 125, pp.247-259 (1988).

97.    Serageldin, M. A. and Wang, H., “Effect of operating parameters on time to decomposition of high density polyethylene and chlorinated polyethylenes.” Thermochimica Acta 117, pp.157-166 (1987).

 

 

Book Chapters

 

1.       Wang, H., “Particulate formation and analysis.” in CRC Handbook of Shock Waves. Vol. 3. Chemical and Combustion Kinetics, (Lifshitz, A., ed.), Chapter 16.6, Academic Press, Chestnut Hill, MA, 2001, pp. 257-308.

 

2.       Frenklach, M. and Wang, H., “Detailed mechanism and modeling of soot particle formation.” in Soot Formation in Combustion: Mechanisms and Models of Soot Formation, (Bockhorn, H., ed.), Springer Series in Chemical Physics, vol. 59, Springer-Verlag, Berlin, 1994, pp.162-190.

 

3.       Frenklach, M. and Wang, H., “Detailed mechanism and modeling of soot formation.” in Advanced Combustion Science, (Someya, T., ed.), Springer-Verlag, Tokyo, 1993, pp.168-175.