Computational Modeling of Soot Nucleation.

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dc.contributor.author Chung, Seung-Hyun en_US
dc.date.accessioned 2011-09-15T17:16:05Z
dc.date.available NO_RESTRICTION en_US
dc.date.available 2011-09-15T17:16:05Z
dc.date.issued 2011 en_US
dc.date.submitted en_US
dc.identifier.uri http://hdl.handle.net/2027.42/86455
dc.description.abstract Recent studies indicate that soot is the second most significant driver of climate change - behind CO2, but ahead of methane - and increased levels of soot particles in the air are linked to health hazards such as heart disease and lung cancer. Within the soot formation process, soot nucleation is the least understood step, and current experimental findings are still limited. This thesis presents computational modeling studies of the major pathways of the soot nucleation process. In this study, two regimes of soot nucleation – chemical growth and physical agglomeration – were evaluated and the results demonstrated that combustion conditions determine the relative importance of these two routes. Also, the dimerization process of polycyclic aromatic hydrocarbons, which has been regarded as one of the most important physical agglomeration processes in soot formation, was carefully examined with a new method for obtaining the nucleation rate using molecular dynamics simulation. The results indicate that the role of pyrene dimerization, which is the commonly accepted model, is expected to be highly dependent on various flame temperature conditions and may not be a key step in the soot nucleation process. An additional pathway, coronene dimerization in this case, needed to be included to improve the match with experimental data. The results of this thesis provide insight on the soot nucleation process and can be utilized to improve current soot formation models. en_US
dc.language.iso en_US en_US
dc.subject Soot Nucleation en_US
dc.title Computational Modeling of Soot Nucleation. en_US
dc.type Thesis en_US
dc.description.thesisdegreename Ph.D. en_US
dc.description.thesisdegreediscipline Mechanical Engineering en_US
dc.description.thesisdegreegrantor University of Michigan, Horace H. Rackham School of Graduate Studies en_US
dc.contributor.committeemember Violi, Angela en_US
dc.contributor.committeemember Driscoll, James F. en_US
dc.contributor.committeemember Im, Hong G. en_US
dc.contributor.committeemember Sick, Volker en_US
dc.subject.hlbsecondlevel Mechanical Engineering en_US
dc.subject.hlbtoplevel Engineering en_US
dc.description.bitstreamurl http://deepblue.lib.umich.edu/bitstream/2027.42/86455/1/chungsh_1.pdf
dc.owningcollname Dissertations and Theses (Ph.D. and Master's)
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