Show simple item record

dc.contributor.authorRaviprasad, Muniyamuthu
dc.description.abstractIn most barrier applications, both mechanical and diffusion properties of the material are important. In this thesis the evaluation of molecular mechanisms responsible for the enhanced elastic properties of Polymer Clay Nanocomposites (PCNs) and the molecular mechanisms of Oxygen diffusion in PolyButylene Terephthalate polymer are presented. Interaction energy between PCN constituents, conformational changes of polymer, interaction energy between Oxygen molecule and polymer, rate of Oxygen and Oxygen diffusion coefficient are evaluated. Molecular simulation studies of PolyButylene Terephthalate (PBT) clay nanocomposite and Nylon6 clay nanocomposite show that a higher crystallinity polymer such as PBT would require higher attractive and repulsive interactions with organic modifier in order to make significant change in the crystallinity of PBT in the nanocomposite and in turn enhance the elastic modulus and hardness. Molecular interactions energy between Oxygen molecule and polymer, change in polymer conformation caused by thermal energy assist the Oxygen molecule to diffuse through polymer.en_US
dc.publisherNorth Dakota State Universityen_US
dc.rightsNDSU Policy 190.6.2
dc.titleInfluence of Molecular Interactions on Elastic Properties and Oxygen Diffusion in PolyButylene Terephthalate Polymer: A Molecular Dynamics Studyen_US
dc.typeThesisen_US
dc.date.accessioned2017-10-31T11:55:36Z
dc.date.available2017-10-31T11:55:36Z
dc.date.issued2012
dc.identifier.urihttps://hdl.handle.net/10365/26732
dc.subject.lcshPolybutenesen_US
dc.subject.lcshMolecular dynamicsen_US
dc.description.sponsorshipNSF-EPSCoR FlexEM Granten_US
dc.rights.urihttps://www.ndsu.edu/fileadmin/policy/190.pdf
ndsu.degreeMaster of Science (MS)en_US
ndsu.collegeEngineeringen_US
ndsu.departmentCivil and Environmental Engineeringen_US
ndsu.programCivil Engineeringen_US
ndsu.advisorKatti, Dinesh R.


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record