Dendritic brushes under theta and poor solvent conditions

The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the ba...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics 2013-07, Vol.139 (4), p.044913-044913
Hauptverfasser: Gergidis, Leonidas N, Kalogirou, Andreas, Charalambopoulos, Antonios, Vlahos, Costas
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 044913
container_issue 4
container_start_page 044913
container_title The Journal of chemical physics
container_volume 139
creator Gergidis, Leonidas N
Kalogirou, Andreas
Charalambopoulos, Antonios
Vlahos, Costas
description The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the back folding probabilities of the dendritic spacers were studied at the macroscopic states of theta and poor solvent. For high grafting densities we observed a small decrease in the height of the brush as the solvent quality decreases. The internal stratification in theta solvent was similar to the one we found in good solvent, with two and in some cases three kinds of populations containing short dendrons with weakly extended spacers, intermediate-height dendrons, and tall dendrons with highly stretched spacers. The differences increase as the grafting density decreases and single dendron populations were evident in theta and poor solvent. In poor solvent at low grafting densities, solvent micelles, polymeric pinned lamellae, spherical and single chain collapsed micelles were observed. The scaling dependence of the height of the dendritic brush at high density brushes for both solvents was found to be in agreement with existing analytical results.
doi_str_mv 10.1063/1.4816709
format Article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_1475543614</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>1417532907</sourcerecordid><originalsourceid>FETCH-LOGICAL-c384t-244305dad193c918784805933c9926e3634ae4918a5145899cb5e6cf2495ddcf3</originalsourceid><addsrcrecordid>eNqN0DtPwzAUBWALgWgpDPwBlBGGlHv9ij2ilpdUiQVmy7UdNSiNi50g8e8JamFmujq6n85wCLlEmCNIdotzrlBWoI_IFEHpspIajskUgGKpJcgJOcv5HQCwovyUTCjTQIGKKdHL0PnU9I0r1mnIm5CLofMhFf0m9LawnS92MaYix_YzdH3hYudHHbt8Tk5q2-Zwcbgz8vZw_7p4Klcvj8-Lu1XpmOJ9STlnILz1qJnTqCrFFQjNxqCpDEwybgMfH1YgF0prtxZBuppyLbx3NZuR633vLsWPIeTebJvsQtvaLsQhG-SVEJxJ5P-gWAlGNVQjvdlTl2LOKdRml5qtTV8GwfyMatAcRh3t1aF2WG-D_5O_K7JvnB1uqA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1417532907</pqid></control><display><type>article</type><title>Dendritic brushes under theta and poor solvent conditions</title><source>MEDLINE</source><source>AIP Journals Complete</source><source>AIP Digital Archive</source><source>Alma/SFX Local Collection</source><creator>Gergidis, Leonidas N ; Kalogirou, Andreas ; Charalambopoulos, Antonios ; Vlahos, Costas</creator><creatorcontrib>Gergidis, Leonidas N ; Kalogirou, Andreas ; Charalambopoulos, Antonios ; Vlahos, Costas</creatorcontrib><description>The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the back folding probabilities of the dendritic spacers were studied at the macroscopic states of theta and poor solvent. For high grafting densities we observed a small decrease in the height of the brush as the solvent quality decreases. The internal stratification in theta solvent was similar to the one we found in good solvent, with two and in some cases three kinds of populations containing short dendrons with weakly extended spacers, intermediate-height dendrons, and tall dendrons with highly stretched spacers. The differences increase as the grafting density decreases and single dendron populations were evident in theta and poor solvent. In poor solvent at low grafting densities, solvent micelles, polymeric pinned lamellae, spherical and single chain collapsed micelles were observed. The scaling dependence of the height of the dendritic brush at high density brushes for both solvents was found to be in agreement with existing analytical results.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.4816709</identifier><identifier>PMID: 23902025</identifier><language>eng</language><publisher>United States</publisher><subject>Brushes ; Dendrimers - chemistry ; Micelles ; Models, Molecular ; Molecular Dynamics Simulation ; Solvents - chemistry</subject><ispartof>The Journal of chemical physics, 2013-07, Vol.139 (4), p.044913-044913</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c384t-244305dad193c918784805933c9926e3634ae4918a5145899cb5e6cf2495ddcf3</citedby><cites>FETCH-LOGICAL-c384t-244305dad193c918784805933c9926e3634ae4918a5145899cb5e6cf2495ddcf3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,778,782,27911,27912</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/23902025$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Gergidis, Leonidas N</creatorcontrib><creatorcontrib>Kalogirou, Andreas</creatorcontrib><creatorcontrib>Charalambopoulos, Antonios</creatorcontrib><creatorcontrib>Vlahos, Costas</creatorcontrib><title>Dendritic brushes under theta and poor solvent conditions</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the back folding probabilities of the dendritic spacers were studied at the macroscopic states of theta and poor solvent. For high grafting densities we observed a small decrease in the height of the brush as the solvent quality decreases. The internal stratification in theta solvent was similar to the one we found in good solvent, with two and in some cases three kinds of populations containing short dendrons with weakly extended spacers, intermediate-height dendrons, and tall dendrons with highly stretched spacers. The differences increase as the grafting density decreases and single dendron populations were evident in theta and poor solvent. In poor solvent at low grafting densities, solvent micelles, polymeric pinned lamellae, spherical and single chain collapsed micelles were observed. The scaling dependence of the height of the dendritic brush at high density brushes for both solvents was found to be in agreement with existing analytical results.</description><subject>Brushes</subject><subject>Dendrimers - chemistry</subject><subject>Micelles</subject><subject>Models, Molecular</subject><subject>Molecular Dynamics Simulation</subject><subject>Solvents - chemistry</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqN0DtPwzAUBWALgWgpDPwBlBGGlHv9ij2ilpdUiQVmy7UdNSiNi50g8e8JamFmujq6n85wCLlEmCNIdotzrlBWoI_IFEHpspIajskUgGKpJcgJOcv5HQCwovyUTCjTQIGKKdHL0PnU9I0r1mnIm5CLofMhFf0m9LawnS92MaYix_YzdH3hYudHHbt8Tk5q2-Zwcbgz8vZw_7p4Klcvj8-Lu1XpmOJ9STlnILz1qJnTqCrFFQjNxqCpDEwybgMfH1YgF0prtxZBuppyLbx3NZuR633vLsWPIeTebJvsQtvaLsQhG-SVEJxJ5P-gWAlGNVQjvdlTl2LOKdRml5qtTV8GwfyMatAcRh3t1aF2WG-D_5O_K7JvnB1uqA</recordid><startdate>20130728</startdate><enddate>20130728</enddate><creator>Gergidis, Leonidas N</creator><creator>Kalogirou, Andreas</creator><creator>Charalambopoulos, Antonios</creator><creator>Vlahos, Costas</creator><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>7U5</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20130728</creationdate><title>Dendritic brushes under theta and poor solvent conditions</title><author>Gergidis, Leonidas N ; Kalogirou, Andreas ; Charalambopoulos, Antonios ; Vlahos, Costas</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c384t-244305dad193c918784805933c9926e3634ae4918a5145899cb5e6cf2495ddcf3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Brushes</topic><topic>Dendrimers - chemistry</topic><topic>Micelles</topic><topic>Models, Molecular</topic><topic>Molecular Dynamics Simulation</topic><topic>Solvents - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Gergidis, Leonidas N</creatorcontrib><creatorcontrib>Kalogirou, Andreas</creatorcontrib><creatorcontrib>Charalambopoulos, Antonios</creatorcontrib><creatorcontrib>Vlahos, Costas</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Gergidis, Leonidas N</au><au>Kalogirou, Andreas</au><au>Charalambopoulos, Antonios</au><au>Vlahos, Costas</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Dendritic brushes under theta and poor solvent conditions</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2013-07-28</date><risdate>2013</risdate><volume>139</volume><issue>4</issue><spage>044913</spage><epage>044913</epage><pages>044913-044913</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the back folding probabilities of the dendritic spacers were studied at the macroscopic states of theta and poor solvent. For high grafting densities we observed a small decrease in the height of the brush as the solvent quality decreases. The internal stratification in theta solvent was similar to the one we found in good solvent, with two and in some cases three kinds of populations containing short dendrons with weakly extended spacers, intermediate-height dendrons, and tall dendrons with highly stretched spacers. The differences increase as the grafting density decreases and single dendron populations were evident in theta and poor solvent. In poor solvent at low grafting densities, solvent micelles, polymeric pinned lamellae, spherical and single chain collapsed micelles were observed. The scaling dependence of the height of the dendritic brush at high density brushes for both solvents was found to be in agreement with existing analytical results.</abstract><cop>United States</cop><pmid>23902025</pmid><doi>10.1063/1.4816709</doi><tpages>1</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0021-9606
ispartof The Journal of chemical physics, 2013-07, Vol.139 (4), p.044913-044913
issn 0021-9606
1089-7690
language eng
recordid cdi_proquest_miscellaneous_1475543614
source MEDLINE; AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection
subjects Brushes
Dendrimers - chemistry
Micelles
Models, Molecular
Molecular Dynamics Simulation
Solvents - chemistry
title Dendritic brushes under theta and poor solvent conditions
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-16T02%3A08%3A56IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Dendritic%20brushes%20under%20theta%20and%20poor%20solvent%20conditions&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Gergidis,%20Leonidas%20N&rft.date=2013-07-28&rft.volume=139&rft.issue=4&rft.spage=044913&rft.epage=044913&rft.pages=044913-044913&rft.issn=0021-9606&rft.eissn=1089-7690&rft_id=info:doi/10.1063/1.4816709&rft_dat=%3Cproquest_cross%3E1417532907%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=1417532907&rft_id=info:pmid/23902025&rfr_iscdi=true