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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.