Arm retraction dynamics in dense polymer brushes
Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. Monomer displacements are analyzed for the directions parallel and perpendicular to the grafting plane. Auto-correlation functions of indivi...
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| creator | Lang, Michael Werner, Marco Dockhorn, Ron Kreer, Torsten |
| description | Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. Monomer displacements are analyzed for the directions parallel and perpendicular to the grafting plane. Auto-correlation functions of individual segments or chain sections are monitored as function of time. We demonstrate that the terminal relaxation time \(\tau\) of grafted layers well in the brush regime grows exponentially with degree of polymerization \(N\) of the chains, \(\tau\propto N^{3}\exp(N/N_{e})\), with \(N_{e}\) the entanglement degree of polymerization in the brush. One specific feature of entangled polymer brushes is that the late time relaxation of the perpendicular component coincides for all segments. We use this observation to extract the terminal relaxation time of an entangled brush. |
| doi_str_mv | 10.48550/arxiv.2104.05264 |
| format | Article |
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Monomer displacements are analyzed for the directions parallel and perpendicular to the grafting plane. Auto-correlation functions of individual segments or chain sections are monitored as function of time. We demonstrate that the terminal relaxation time \(\tau\) of grafted layers well in the brush regime grows exponentially with degree of polymerization \(N\) of the chains, \(\tau\propto N^{3}\exp(N/N_{e})\), with \(N_{e}\) the entanglement degree of polymerization in the brush. One specific feature of entangled polymer brushes is that the late time relaxation of the perpendicular component coincides for all segments. We use this observation to extract the terminal relaxation time of an entangled brush.</description><identifier>EISSN: 2331-8422</identifier><identifier>DOI: 10.48550/arxiv.2104.05264</identifier><language>eng</language><publisher>Ithaca: Cornell University Library, arXiv.org</publisher><subject>Brushes ; Degree of polymerization ; Entanglement ; Grafting ; Physics - Chemical Physics ; Physics - Soft Condensed Matter ; Polymerization ; Polymers ; Relaxation time ; Segments</subject><ispartof>arXiv.org, 2021-04</ispartof><rights>2021. This work is published under http://creativecommons.org/licenses/by-nc-sa/4.0/ (the “License”). 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We use this observation to extract the terminal relaxation time of an entangled brush.</description><subject>Brushes</subject><subject>Degree of polymerization</subject><subject>Entanglement</subject><subject>Grafting</subject><subject>Physics - Chemical Physics</subject><subject>Physics - Soft Condensed Matter</subject><subject>Polymerization</subject><subject>Polymers</subject><subject>Relaxation time</subject><subject>Segments</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><sourceid>GOX</sourceid><recordid>eNotj8tqwzAUREWh0JDmA7qqoWu7V1dPL0PoCwJdtHsjWxJViB-V7FL_fd0kq5nFYZhDyB2Fgmsh4NHE3_BTIAVegEDJr8gKGaO55og3ZJPSAQBQKhSCrQhsY5tFN0bTjKHvMjt3pg1NysLSXZdcNvTHuXUxq-OUvly6JdfeHJPbXHJNPp6fPnev-f795W233edGYJlzLxvNAK3UmgrNam0seJSmMUC5oVo1WLqaa8mYBSWoVYC6tr626D2yNbk_r55sqiGG1sS5-reqTlYL8XAmhth_Ty6N1aGfYrdcqlBQpEoxLNkfhRlOeg</recordid><startdate>20210412</startdate><enddate>20210412</enddate><creator>Lang, Michael</creator><creator>Werner, Marco</creator><creator>Dockhorn, Ron</creator><creator>Kreer, Torsten</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>GOX</scope></search><sort><creationdate>20210412</creationdate><title>Arm retraction dynamics in dense polymer brushes</title><author>Lang, Michael ; Werner, Marco ; Dockhorn, Ron ; Kreer, Torsten</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a529-4f6c8302d6881583b8ad0f26aca014a187c29eb48633d0751d7028bdfbd2ff23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Brushes</topic><topic>Degree of polymerization</topic><topic>Entanglement</topic><topic>Grafting</topic><topic>Physics - Chemical Physics</topic><topic>Physics - Soft Condensed Matter</topic><topic>Polymerization</topic><topic>Polymers</topic><topic>Relaxation time</topic><topic>Segments</topic><toplevel>online_resources</toplevel><creatorcontrib>Lang, Michael</creatorcontrib><creatorcontrib>Werner, Marco</creatorcontrib><creatorcontrib>Dockhorn, Ron</creatorcontrib><creatorcontrib>Kreer, Torsten</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>arXiv.org</collection><jtitle>arXiv.org</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lang, Michael</au><au>Werner, Marco</au><au>Dockhorn, Ron</au><au>Kreer, Torsten</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Arm retraction dynamics in dense polymer brushes</atitle><jtitle>arXiv.org</jtitle><date>2021-04-12</date><risdate>2021</risdate><eissn>2331-8422</eissn><abstract>Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. 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| subjects | Brushes Degree of polymerization Entanglement Grafting Physics - Chemical Physics Physics - Soft Condensed Matter Polymerization Polymers Relaxation time Segments |
| title | Arm retraction dynamics in dense polymer brushes |
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