Molecular dynamics simulations of amphiphilic dendrimers

dc.contributor.advisor Monica H. Lamm
dc.contributor.advisor James W. Evans
dc.contributor.advisor Mark S. Gordon Suek, Nicholas
dc.contributor.department Chemical and Biological Engineering 2018-08-22T15:01:20.000 2020-06-30T07:47:58Z 2020-06-30T07:47:58Z Tue Jan 01 00:00:00 UTC 2008 2008-01-01
dc.description.abstract <p>Dendrimers are a class of synthetic polymers whose principle feature is repetitive branching. In this work the general effects of branching on amphiphilic polymers are explored with molecular simulations using a Lennard-Jones interaction model. Molecular dynamics simulations are used to study the effects of terminal monomer substitution on single molecule structure and dynamics in solution as well as the surface morphology and wettability of a film composed of dendrimers. Brownian dynamics simulations on linear-dendritic block copolymers have demonstrated how dendron architecture and copolymer topology can be manipulated to control the resulting self-assembled morphology in these systems.</p>
dc.format.mimetype application/pdf
dc.identifier archive/
dc.identifier.articleid 16882
dc.identifier.contextkey 7051245
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath rtd/15883
dc.language.iso en
dc.source.bitstream archive/|||Fri Jan 14 20:47:53 UTC 2022
dc.subject.disciplines Chemical Engineering
dc.subject.keywords Chemical and biological engineering;Chemical engineering;
dc.title Molecular dynamics simulations of amphiphilic dendrimers
dc.type article
dc.type.genre dissertation
dspace.entity.type Publication
relation.isOrgUnitOfPublication 86545861-382c-4c15-8c52-eb8e9afe6b75 dissertation Doctor of Philosophy
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