The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study
This work is the continuation of our previous modeling results, where small polymeric unit adsorption properties on gold surface had been studied. In this report, the conformational features of long poly (vinylimidazole) (PVI) molecule on Au{111} facet has been examined by molecular dynamics method....
Gespeichert in:
| Veröffentlicht in: | Journal of polymer research 2020, Vol.27 (4), Article 91 |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | 4 |
| container_start_page | |
| container_title | Journal of polymer research |
| container_volume | 27 |
| creator | Meltonyan, Ashot V. Poghosyan, Armen H. Sargsyan, Serzhik H. Margaryan, Karine S. Shahinyan, Aram A. |
| description | This work is the continuation of our previous modeling results, where small polymeric unit adsorption properties on gold surface had been studied. In this report, the conformational features of long poly (vinylimidazole) (PVI) molecule on Au{111} facet has been examined by molecular dynamics method. We show that the long polymer binds to gold surface and more than 50% monomers are adsorbed on gold layer, where the adsorption energy value is estimated to be ~62.9 kJ/mol
−1
.
Discussing the conformational aspects and statistics, Kuhn length, persistence length and characteristic ratio of polymeric chain have been determined and compared with literature results. It is stated that both for freely jointed chain and freely rotating chain models the characteristic ratio is ~3.5. |
| doi_str_mv | 10.1007/s10965-020-02075-8 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2379669871</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2379669871</sourcerecordid><originalsourceid>FETCH-LOGICAL-c356t-69317ff708b29bf33e4f22ae0da0406161550fa23e599bca704ec0e468cedcdf3</originalsourceid><addsrcrecordid>eNp9kE1LxDAQhosouK7-AU8BL3qoTpJN0niTxS9Y8LJeDWk-1i5tsyatUH-9XSt48zDMwDzvDDxZdo7hGgOIm4RBcpYDgX0JlhcH2QwzQfJCUnY4zkBILgWH4-wkpS0AY4IXs-xt_e6QCa0PsdFdFVoUPNI2hVg6i3ahHtDlZ9UOddVUVn-F2l2hEdqE2qLUR6-Nu0UaNePC9LWOyA6tbiqTUOp6O5xmR17XyZ399nn2-nC_Xj7lq5fH5-XdKjeU8S7nkmLhvYCiJLL0lLqFJ0Q7sBoWwDHHjIHXhDomZWm0gIUz4Ba8MM4a6-k8u5ju7mL46F3q1Db0sR1fKkKF5FwWAo8UmSgTQ0rRebWLVaPjoDCovUc1eVSjQ_XjURVjiE6hNMLtxsW_0_-kvgHca3ae</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2379669871</pqid></control><display><type>article</type><title>The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study</title><source>SpringerLink Journals - AutoHoldings</source><creator>Meltonyan, Ashot V. ; Poghosyan, Armen H. ; Sargsyan, Serzhik H. ; Margaryan, Karine S. ; Shahinyan, Aram A.</creator><creatorcontrib>Meltonyan, Ashot V. ; Poghosyan, Armen H. ; Sargsyan, Serzhik H. ; Margaryan, Karine S. ; Shahinyan, Aram A.</creatorcontrib><description>This work is the continuation of our previous modeling results, where small polymeric unit adsorption properties on gold surface had been studied. In this report, the conformational features of long poly (vinylimidazole) (PVI) molecule on Au{111} facet has been examined by molecular dynamics method. We show that the long polymer binds to gold surface and more than 50% monomers are adsorbed on gold layer, where the adsorption energy value is estimated to be ~62.9 kJ/mol
−1
.
Discussing the conformational aspects and statistics, Kuhn length, persistence length and characteristic ratio of polymeric chain have been determined and compared with literature results. It is stated that both for freely jointed chain and freely rotating chain models the characteristic ratio is ~3.5.</description><identifier>ISSN: 1022-9760</identifier><identifier>EISSN: 1572-8935</identifier><identifier>DOI: 10.1007/s10965-020-02075-8</identifier><language>eng</language><publisher>Dordrecht: Springer Netherlands</publisher><subject>Adsorption ; Characterization and Evaluation of Materials ; Chemistry ; Chemistry and Materials Science ; Energy value ; Gold ; Industrial Chemistry/Chemical Engineering ; Molecular dynamics ; Original Paper ; Polymer Sciences ; Polyvinylimidazoles ; Surface chemistry</subject><ispartof>Journal of polymer research, 2020, Vol.27 (4), Article 91</ispartof><rights>The Polymer Society, Taipei 2020</rights><rights>The Polymer Society, Taipei 2020.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c356t-69317ff708b29bf33e4f22ae0da0406161550fa23e599bca704ec0e468cedcdf3</citedby><cites>FETCH-LOGICAL-c356t-69317ff708b29bf33e4f22ae0da0406161550fa23e599bca704ec0e468cedcdf3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10965-020-02075-8$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10965-020-02075-8$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27915,27916,41479,42548,51310</link.rule.ids></links><search><creatorcontrib>Meltonyan, Ashot V.</creatorcontrib><creatorcontrib>Poghosyan, Armen H.</creatorcontrib><creatorcontrib>Sargsyan, Serzhik H.</creatorcontrib><creatorcontrib>Margaryan, Karine S.</creatorcontrib><creatorcontrib>Shahinyan, Aram A.</creatorcontrib><title>The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study</title><title>Journal of polymer research</title><addtitle>J Polym Res</addtitle><description>This work is the continuation of our previous modeling results, where small polymeric unit adsorption properties on gold surface had been studied. In this report, the conformational features of long poly (vinylimidazole) (PVI) molecule on Au{111} facet has been examined by molecular dynamics method. We show that the long polymer binds to gold surface and more than 50% monomers are adsorbed on gold layer, where the adsorption energy value is estimated to be ~62.9 kJ/mol
−1
.
Discussing the conformational aspects and statistics, Kuhn length, persistence length and characteristic ratio of polymeric chain have been determined and compared with literature results. It is stated that both for freely jointed chain and freely rotating chain models the characteristic ratio is ~3.5.</description><subject>Adsorption</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Energy value</subject><subject>Gold</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Molecular dynamics</subject><subject>Original Paper</subject><subject>Polymer Sciences</subject><subject>Polyvinylimidazoles</subject><subject>Surface chemistry</subject><issn>1022-9760</issn><issn>1572-8935</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LxDAQhosouK7-AU8BL3qoTpJN0niTxS9Y8LJeDWk-1i5tsyatUH-9XSt48zDMwDzvDDxZdo7hGgOIm4RBcpYDgX0JlhcH2QwzQfJCUnY4zkBILgWH4-wkpS0AY4IXs-xt_e6QCa0PsdFdFVoUPNI2hVg6i3ahHtDlZ9UOddVUVn-F2l2hEdqE2qLUR6-Nu0UaNePC9LWOyA6tbiqTUOp6O5xmR17XyZ399nn2-nC_Xj7lq5fH5-XdKjeU8S7nkmLhvYCiJLL0lLqFJ0Q7sBoWwDHHjIHXhDomZWm0gIUz4Ba8MM4a6-k8u5ju7mL46F3q1Db0sR1fKkKF5FwWAo8UmSgTQ0rRebWLVaPjoDCovUc1eVSjQ_XjURVjiE6hNMLtxsW_0_-kvgHca3ae</recordid><startdate>2020</startdate><enddate>2020</enddate><creator>Meltonyan, Ashot V.</creator><creator>Poghosyan, Armen H.</creator><creator>Sargsyan, Serzhik H.</creator><creator>Margaryan, Karine S.</creator><creator>Shahinyan, Aram A.</creator><general>Springer Netherlands</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>2020</creationdate><title>The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study</title><author>Meltonyan, Ashot V. ; Poghosyan, Armen H. ; Sargsyan, Serzhik H. ; Margaryan, Karine S. ; Shahinyan, Aram A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c356t-69317ff708b29bf33e4f22ae0da0406161550fa23e599bca704ec0e468cedcdf3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Adsorption</topic><topic>Characterization and Evaluation of Materials</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Energy value</topic><topic>Gold</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Molecular dynamics</topic><topic>Original Paper</topic><topic>Polymer Sciences</topic><topic>Polyvinylimidazoles</topic><topic>Surface chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Meltonyan, Ashot V.</creatorcontrib><creatorcontrib>Poghosyan, Armen H.</creatorcontrib><creatorcontrib>Sargsyan, Serzhik H.</creatorcontrib><creatorcontrib>Margaryan, Karine S.</creatorcontrib><creatorcontrib>Shahinyan, Aram A.</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Journal of polymer research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Meltonyan, Ashot V.</au><au>Poghosyan, Armen H.</au><au>Sargsyan, Serzhik H.</au><au>Margaryan, Karine S.</au><au>Shahinyan, Aram A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study</atitle><jtitle>Journal of polymer research</jtitle><stitle>J Polym Res</stitle><date>2020</date><risdate>2020</risdate><volume>27</volume><issue>4</issue><artnum>91</artnum><issn>1022-9760</issn><eissn>1572-8935</eissn><abstract>This work is the continuation of our previous modeling results, where small polymeric unit adsorption properties on gold surface had been studied. In this report, the conformational features of long poly (vinylimidazole) (PVI) molecule on Au{111} facet has been examined by molecular dynamics method. We show that the long polymer binds to gold surface and more than 50% monomers are adsorbed on gold layer, where the adsorption energy value is estimated to be ~62.9 kJ/mol
−1
.
Discussing the conformational aspects and statistics, Kuhn length, persistence length and characteristic ratio of polymeric chain have been determined and compared with literature results. It is stated that both for freely jointed chain and freely rotating chain models the characteristic ratio is ~3.5.</abstract><cop>Dordrecht</cop><pub>Springer Netherlands</pub><doi>10.1007/s10965-020-02075-8</doi></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1022-9760 |
| ispartof | Journal of polymer research, 2020, Vol.27 (4), Article 91 |
| issn | 1022-9760 1572-8935 |
| language | eng |
| recordid | cdi_proquest_journals_2379669871 |
| source | SpringerLink Journals - AutoHoldings |
| subjects | Adsorption Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Energy value Gold Industrial Chemistry/Chemical Engineering Molecular dynamics Original Paper Polymer Sciences Polyvinylimidazoles Surface chemistry |
| title | The conformation of adsorbed poly (vinylimidazole) on gold surface: a molecular dynamics study |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-15T02%3A00%3A22IST&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=The%20conformation%20of%20adsorbed%20poly%20(vinylimidazole)%20on%20gold%20surface:%20a%20molecular%20dynamics%20study&rft.jtitle=Journal%20of%20polymer%20research&rft.au=Meltonyan,%20Ashot%20V.&rft.date=2020&rft.volume=27&rft.issue=4&rft.artnum=91&rft.issn=1022-9760&rft.eissn=1572-8935&rft_id=info:doi/10.1007/s10965-020-02075-8&rft_dat=%3Cproquest_cross%3E2379669871%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=2379669871&rft_id=info:pmid/&rfr_iscdi=true |