{"id":{"repo_id":"unlv","oai_identifier":"oai:oasis.library.unlv.edu:rtds-1863"},"canonical_url":"https://search.dev.ndltd.org/etd/unlv/oai:oasis.library.unlv.edu:rtds-1863","repository":{"repo_id":"unlv","name":"University of Nevada - Las Vegas","base_url":"https://oasis.library.unlv.edu/do/oai/"},"display":{"title":"Molecular-dynamics simulations of polymers in a solvent","abstract":"Molecular-dynamics simulations were carried out for linear, flexible polymers in a solvent environment. Both static and dynamic properties were calculated for polymer chains of 8, 16, 24, 32, and 40 monomers in length. The effects of solvent density on the diffusion coefficient, the average radius of gyration, and the average magnitude of the end-to-end distance vector of the polymer are studied. The same properties of loops or 'ring' polymers were studied by connecting the ends of the polymers together. We observed that the calculated properties scale with the number of monomers in a power-law form. The exponents of each quantity are sampled in our simulations. For long polymers, the diffusion coefficient for the open and ring polymers is found to be inversely proportional to the average radius of gyration. For shorter polymers, the ring structure plays a more prominent role in the diffusion process.","abstract_html":"Molecular-dynamics simulations were carried out for linear, flexible polymers in a solvent environment. Both static and dynamic properties were calculated for polymer chains of 8, 16, 24, 32, and 40 monomers in length. The effects of solvent density on the diffusion coefficient, the average radius of gyration, and the average magnitude of the end-to-end distance vector of the polymer are studied. The same properties of loops or 'ring' polymers were studied by connecting the ends of the polymers together. We observed that the calculated properties scale with the number of monomers in a power-law form. The exponents of each quantity are sampled in our simulations. For long polymers, the diffusion coefficient for the open and ring polymers is found to be inversely proportional to the average radius of gyration. For shorter polymers, the ring structure plays a more prominent role in the diffusion process.","abstract_has_math":false,"creators":["Zukaitis, Anthony Jon"],"institution":"University of Nevada, Las Vegas","degree_name":"Master of Science (MS)","degree_level":"Thesis","degree_discipline":"Physics","degree_department":null,"school":null,"contributors":["Tao Pang"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":1998,"date_issued":"1998-01-01T08:00:00Z","date_published":"1998-01-01T08:00:00Z","updated_at":"2026-07-24T05:24:45Z","subjects":[],"languages":[],"rights":["IN COPYRIGHT. For more information about this rights statement, please visit http://rightsstatements.org/vocab/InC/1.0/"],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["https://oasis.library.unlv.edu/rtds/864"],"render_values":[{"text":"https://oasis.library.unlv.edu/rtds/864","href":"https://oasis.library.unlv.edu/rtds/864","code":true}]}]},"links":{"outbound_url":"https://doi.org/10.25669/uqxp-t4fm","outbound_label":"DOI","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Tao Pang"]},{"key":"dc:creator","label":"Author","values":["Zukaitis, Anthony Jon"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:publisher","label":"Institution","values":["University of Nevada, Las Vegas"]},{"key":"dc:type","label":"Dc Type","values":["Text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Physics"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science (MS)"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:rights","label":"Dc Rights","values":["IN COPYRIGHT. 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We observed that the calculated properties scale with the number of monomers in a power-law form. The exponents of each quantity are sampled in our simulations. For long polymers, the diffusion coefficient for the open and ring polymers is found to be inversely proportional to the average radius of gyration. For shorter polymers, the ring structure plays a more prominent role in the diffusion process."]},{"key":"dc:format","label":"Dc Format","values":["pdf"]},{"key":"dc:title","label":"Title","values":["Molecular-dynamics simulations of polymers in a solvent"]}]}],"canonical_facts":{"dc:contributor":["Tao Pang"],"dc:creator":["Zukaitis, Anthony Jon"],"dc:description.abstract":["Molecular-dynamics simulations were carried out for linear, flexible polymers in a solvent environment. Both static and dynamic properties were calculated for polymer chains of 8, 16, 24, 32, and 40 monomers in length. The effects of solvent density on the diffusion coefficient, the average radius of gyration, and the average magnitude of the end-to-end distance vector of the polymer are studied. The same properties of loops or 'ring' polymers were studied by connecting the ends of the polymers together. We observed that the calculated properties scale with the number of monomers in a power-law form. The exponents of each quantity are sampled in our simulations. For long polymers, the diffusion coefficient for the open and ring polymers is found to be inversely proportional to the average radius of gyration. For shorter polymers, the ring structure plays a more prominent role in the diffusion process."],"dc:format":["pdf"],"dc:identifier":["10.25669/uqxp-t4fm","https://oasis.library.unlv.edu/rtds/864","https://oasis.library.unlv.edu/context/rtds/article/1863/viewcontent/uc.pdf"],"dc:publisher":["University of Nevada, Las Vegas"],"dc:rights":["IN COPYRIGHT. For more information about this rights statement, please visit http://rightsstatements.org/vocab/InC/1.0/"],"dc:title":["Molecular-dynamics simulations of polymers in a solvent"],"dc:type":["Text"],"thesis:degree_discipline":["Physics"],"thesis:degree_level":["Thesis"],"thesis:degree_name":["Master of Science (MS)"]},"updated_at":"2026-07-24T05:24:45Z"}