Combustion-generated nanoparticles produced in a benzene flame: A multiscale approach
dc.contributor.author | Violi, Angela | en_US |
dc.contributor.author | Venkatnathan, Arun | en_US |
dc.date.accessioned | 2011-11-15T16:10:24Z | |
dc.date.available | 2011-11-15T16:10:24Z | |
dc.date.issued | 2006-08-07 | en_US |
dc.identifier.citation | Violi, Angela; Venkatnathan, Arun (2006). "Combustion-generated nanoparticles produced in a benzene flame: A multiscale approach." The Journal of Chemical Physics 125(5): 054302-054302-8. <http://hdl.handle.net/2027.42/87870> | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/87870 | |
dc.description.abstract | This paper details the multiscale methodology developed to analyze the formation of nanoparticles in a manner that makes it possible to follow the evolution of the structures in a chemically specific way. The atomistic model for particle inception code that combines the strengths of kinetic Monte Carlo and molecular dynamics is used to study the chemical and physical properties of nanoparticles generated in a premixed fuel-rich benzene flame, providing atomistic scale structures (bonds, bond angles, dihedral angles) as soot precursors evolve into a three-dimensional structure. Morphology, density, porosity, and other physical properties are computed. Two heights corresponding to two different times in the benzene flame, experimentally studied by Bittner and Howard [Proc. Combust. Inst. 18, 1105 (1981)], were chosen to examine the influence of different environments on structural properties of the particles formed. | en_US |
dc.publisher | The American Institute of Physics | en_US |
dc.rights | © The American Institute of Physics | en_US |
dc.title | Combustion-generated nanoparticles produced in a benzene flame: A multiscale approach | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Physics | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109 | en_US |
dc.identifier.pmid | 16942208 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/87870/2/054302_1.pdf | |
dc.identifier.doi | 10.1063/1.2234481 | en_US |
dc.identifier.source | The Journal of Chemical Physics | en_US |
dc.identifier.citedreference | G. Marland, T. A. Boden, and R. J. Andres, Global, Regional, and National Fossil Fuel CO2 Emissions. In Trends: A Compendium of Data on Global Change. Carbon Dioxide Information Center, Oak Ridge National Laboratory Report, U.S. Department of Energy, Oak Ridge, TN (2006). | en_US |
dc.identifier.citedreference | A. S. Manne, Stephan G. Energy Policy 27(6), 309–316 (1999). | en_US |
dc.identifier.citedreference | S. Izvekov and A. Violi, J. Phys. Chem. B 109, 17019 (2005). | en_US |
dc.identifier.citedreference | S. Izvekov and A. Violi, J. Chem. Theory Comput. 2, 504 (2006). | en_US |
dc.identifier.citedreference | M. Balthasar and M. Frenklach, Combust. Flame 140, 130 (2005). | en_US |
dc.identifier.citedreference | M. Balthasar and M. Frenklach, Combust. Flame 30, 1467 (2005). | en_US |
dc.identifier.citedreference | A. Violi, Combust. Flame 139, 279 (2004). | en_US |
dc.identifier.citedreference | A. Violi, G. A. Voth, and A. F. Sarofim, Proc. Combust. Inst. 30, 1343 (2005). | en_US |
dc.identifier.citedreference | A. Violi and G. A. Voth, High Performance Computing and Communications: Proceedings Lecture Notes in Computer Science 3726, 938–947 (2005). | en_US |
dc.identifier.citedreference | A. Violi, G. A. Voth, and A. F. Sarofim, Proc. Combust. Inst. 30, 1343 (2005). | en_US |
dc.identifier.citedreference | A. B. Bortz, M. H. Kalos, and J. L. Lebowitz, J. Comput. Phys. 17, 10 (1975). | en_US |
dc.identifier.citedreference | G. H. Gilmer, J. Cryst. Growth 36, 15 (1976). | en_US |
dc.identifier.citedreference | A. F. Voter, Phys. Rev. B 34, 6819 (1986). | en_US |
dc.identifier.citedreference | P. A. Maksym, Semicond. Sci. Technol. 3, 594 (1988). | en_US |
dc.identifier.citedreference | K. A. Fichthorn and W. H. Weinberg, J. Chem. Phys. 95, 1090 (1991). | en_US |
dc.identifier.citedreference | J. L. Blue, I. Beichl, and F. Sullivan, Phys. Rev. E 51, R867 (1995). | en_US |
dc.identifier.citedreference | J. B. McDermott, C. Libanati, C. La Marca, and M. T. Klein, Ind. Eng. Chem. Res. 29, 22 (1990). | en_US |
dc.identifier.citedreference | A. Violi, J. Phys. Chem. A 109, 7781 (2005). | en_US |
dc.identifier.citedreference | M. Frenklach, D. W. Clary, W. C. Gardiner, Jr., and S. E. Stein, Proc. Combust. Inst. 20, 887 (1985). | en_US |
dc.identifier.citedreference | H. Wang and M. Frenklach, Combust. Flame 110, 173 (1997). | en_US |
dc.identifier.citedreference | M. Frenklach and J. Warnatz, Combust. Sci. Technol. 51, 265 (1987). | en_US |
dc.identifier.citedreference | A. Violi, A. F. Sarofim, and T. N. Truong, Combust. Flame 126, 1506 (2001). | en_US |
dc.identifier.citedreference | A. D’Anna, A. Violi, and A. D’Alessio, Combust. Flame 121, 418 (2000). | en_US |
dc.identifier.citedreference | A. Violi, A. D’Anna, and A. D’Alessio, Chemosphere 42, 463 (2001). | en_US |
dc.identifier.citedreference | A. Violi, A. F. Sarofim, and G. A. Voth, Combust. Sci. Technol. 176, 991 (2004). | en_US |
dc.identifier.citedreference | S. J. Stuart, A. B. Tutein, and J. A. Harrison, J. Chem. Phys. 112, 6472 (2000). | en_US |
dc.identifier.citedreference | D. W. Brenner, Phys. Rev. B 42, 9458 (1990). | en_US |
dc.identifier.citedreference | D. W. Brenner, J. A. Harrison, C. T. White, and R. J. Colton, Thin Solid Films 206, 220 (1991). | en_US |
dc.identifier.citedreference | D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Ni, and S. B. Sinnott, J. Phys.: Condens. Matter 14, 783 (2002). | en_US |
dc.identifier.citedreference | M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987). | en_US |
dc.identifier.citedreference | J. D. Bittner and J. B. Howard, Proc. Combust. Inst. 18, 1105 (1981). | en_US |
dc.identifier.citedreference | J. D. Bittner and J. B. Howard, in Particulate Carbon: Formation During Combustion, edited by D. C. Siegla and G. W. Smith (Plenum, New York, 1981), p. 109. | en_US |
dc.identifier.citedreference | A. Keller, R. Kovacs, and K.-H. Homann, Phys. Chem. Chem. Phys. 2, 1667 (2000). | en_US |
dc.identifier.citedreference | V. Mikli, H. Kaerdi, P. Kulu, and M. Besterci, Proc. Estonian Acad. Sci. Eng. 7, 22 (2001). | en_US |
dc.identifier.citedreference | A. D’Alessio, A. D’Anna, A. D’Orsi, P. Minutolo, R. Barbella, and A. Ciajolo, Proc. Combust. Inst. 24, 973 (1992). | en_US |
dc.identifier.citedreference | R. M. Carter and Y. Yuan, J. Phys.: Conf. Ser. 15, 177 (2005). | en_US |
dc.identifier.citedreference | M. L. Connolly, J. Am. Chem. Soc. 107, 1118 (1985). | en_US |
dc.identifier.citedreference | J.-L. Faulon, G. A. Carlson, and P. G. Hatcher, Energy Fuels 7, 1062 (1993). | en_US |
dc.identifier.citedreference | M. B. Rao, Carbon 29, 813 (1991). | en_US |
dc.owningcollname | Physics, Department of |
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