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

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dc.contributor.advisorYakobson, Boris I.
dc.creatorWu, Mingqi
dc.date.accessioned2009-06-03T21:07:48Z
dc.date.available2009-06-03T21:07:48Z
dc.date.issued2007
dc.description.abstractDue 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.extent67 p.en_US
dc.format.mimetypeapplication/pdf
dc.identifier.callnoTHESIS M.E. 2007 WU
dc.identifier.citationWu, Mingqi. "Modeling of carbon nanotube array separation in electrolytes and by chemical functionalization." (2007) Master’s Thesis, Rice University. <a href="https://hdl.handle.net/1911/20545">https://hdl.handle.net/1911/20545</a>.
dc.identifier.urihttps://hdl.handle.net/1911/20545
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectEngineering
dc.subjectMaterials science
dc.titleModeling of carbon nanotube array separation in electrolytes and by chemical functionalization
dc.typeThesis
dc.type.materialText
thesis.degree.departmentMechanical Engineering
thesis.degree.disciplineEngineering
thesis.degree.grantorRice University
thesis.degree.levelMasters
thesis.degree.nameMaster of Science
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