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Modeling of carbon nanotube array separation in electrolytes and by chemical functionalization

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dc.contributor.advisor Yakobson, Boris I.
dc.creator Wu, Mingqi
dc.date.accessioned 2009-06-03T21:07:48Z
dc.date.available 2009-06-03T21:07:48Z
dc.date.issued 2007
dc.identifier.uri http://hdl.handle.net/1911/20545
dc.description.abstract Due to the accumulated van der Waals attraction, the separation of single-walled carbon nanotubes (SWNTs) has been a challenge. This thesis focus on theoretical modeling and study of separating SWNT array in electrolytes and by chemical functionalization. First, the swelling behavior of SWNT fibers in superacid as well as the sudden collapse of such dispersion with introduction of water are studied by Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. A simple kinetic model for the charging mechanism of SWNT is proposed. Optimization of the controlled parameters of the model has been carried out. Second, we designed a tensegrity structure with three (5,5) SWNTs connected by nine polyethylene chains. One of relative strong connection ways between polyethylene and tube cap is constructed. Structure optimization and molecular dynamics simulation are performed to analyze the stability changes in such and several similar structures by adding some or removal one chain.
dc.format.extent 67 p.
dc.format.mimetype application/pdf
dc.language.iso eng
dc.subject Engineering, Materials Science
dc.title Modeling of carbon nanotube array separation in electrolytes and by chemical functionalization
dc.type.genre Thesis
dc.type.material Text
thesis.degree.discipline Engineering
thesis.degree.grantor Rice University
thesis.degree.level Masters
dc.identifier.citation Wu, Mingqi. (2007) "Modeling of carbon nanotube array separation in electrolytes and by chemical functionalization." Masters Thesis, Rice University. http://hdl.handle.net/1911/20545.

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