The influence of water polarization on slip friction at charged interfaces
The present study employs equilibrium molecular dynamics simulations to explore the potential mechanism for controlling friction by applying electrostatic fields in nanoconfined aqueous electrolytes. The slip friction coefficient demonstrates a gradual increase corresponding to the surface charge de...
Gespeichert in:
Veröffentlicht in: | The Journal of chemical physics 2024-11, Vol.161 (20) |
---|---|
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 | 20 |
container_start_page | |
container_title | The Journal of chemical physics |
container_volume | 161 |
creator | Kunhunni, Amith Varghese, Sleeba Kannam, Sridhar Kumar Sathian, Sarith P. Daivis, Peter J. Todd, B. D. |
description | The present study employs equilibrium molecular dynamics simulations to explore the potential mechanism for controlling friction by applying electrostatic fields in nanoconfined aqueous electrolytes. The slip friction coefficient demonstrates a gradual increase corresponding to the surface charge density for pure water and aqueous electrolytes, exhibiting a similar trend across both nanochannel walls. An expression is formulated to rationalize the observed slip friction behavior, describing the effect of the electric field on the slip friction coefficient. According to this formulation, the slip friction coefficient increases proportionally to the square of the uniform electric field emanating from the charged electrode. This increase in slip friction results from the energy change due to the orientation polarization of interfacial water dipoles. The minimal variations in the empirically determined proportionality constant for pure water and aqueous electrolytes indicate that water polarization primarily governs slip friction at charged interfaces. These findings offer insights into the electrical effects on nanoscale lubrication of aqueous electrolytes, highlighting the significant role of water polarization in determining slip. |
doi_str_mv | 10.1063/5.0232332 |
format | Article |
fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_crossref_primary_10_1063_5_0232332</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>3133504951</sourcerecordid><originalsourceid>FETCH-LOGICAL-c273t-89e543f08f7b25f68cfbaecefba29616abe9560b83e8b0270aacb237edf11a353</originalsourceid><addsrcrecordid>eNp90E9LwzAYBvAgipvTg19ACl5U6HyTNGlzlOFfBl7muaTZG5fRtTNpEf30xm168CCEBF5-eXh5CDmlMKYg-bUYA-OMc7ZHhhQKleZSwT4ZAjCaKglyQI5CWAIAzVl2SAY8Dikr-JA8zRaYuMbWPTYGk9Ym77pDn6zbWnv3qTvXNkk8oXbrxHpnNgPdJWah_SvO49_IrTYYjsmB1XXAk907Ii93t7PJQzp9vn-c3ExTw3LepYVCkXELhc0rJqwsjK00Gow3U5JKXaESEqqCY1EBy0FrUzGe49xSqrngI3KxzV379q3H0JUrFwzWtW6w7UPJKeeZZIWCSM__0GXb-yZut1ECMiVoVJdbZXwbgkdbrr1baf9RUii_Cy5FuSs42rNdYl-tcP4rfxqN4GoLgnHdpr5_0r4AIneB9w</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>3133504951</pqid></control><display><type>article</type><title>The influence of water polarization on slip friction at charged interfaces</title><source>American Institute of Physics (AIP) Journals</source><creator>Kunhunni, Amith ; Varghese, Sleeba ; Kannam, Sridhar Kumar ; Sathian, Sarith P. ; Daivis, Peter J. ; Todd, B. D.</creator><creatorcontrib>Kunhunni, Amith ; Varghese, Sleeba ; Kannam, Sridhar Kumar ; Sathian, Sarith P. ; Daivis, Peter J. ; Todd, B. D.</creatorcontrib><description>The present study employs equilibrium molecular dynamics simulations to explore the potential mechanism for controlling friction by applying electrostatic fields in nanoconfined aqueous electrolytes. The slip friction coefficient demonstrates a gradual increase corresponding to the surface charge density for pure water and aqueous electrolytes, exhibiting a similar trend across both nanochannel walls. An expression is formulated to rationalize the observed slip friction behavior, describing the effect of the electric field on the slip friction coefficient. According to this formulation, the slip friction coefficient increases proportionally to the square of the uniform electric field emanating from the charged electrode. This increase in slip friction results from the energy change due to the orientation polarization of interfacial water dipoles. The minimal variations in the empirically determined proportionality constant for pure water and aqueous electrolytes indicate that water polarization primarily governs slip friction at charged interfaces. These findings offer insights into the electrical effects on nanoscale lubrication of aqueous electrolytes, highlighting the significant role of water polarization in determining slip.</description><identifier>ISSN: 0021-9606</identifier><identifier>ISSN: 1089-7690</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/5.0232332</identifier><identifier>PMID: 39601283</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Aqueous electrolytes ; Charge density ; Coefficient of friction ; Dipoles ; Electric fields ; Electrolytes ; Friction ; Molecular dynamics ; Nanochannels ; Polarization ; Slip ; Surface charge</subject><ispartof>The Journal of chemical physics, 2024-11, Vol.161 (20)</ispartof><rights>Author(s)</rights><rights>2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c273t-89e543f08f7b25f68cfbaecefba29616abe9560b83e8b0270aacb237edf11a353</cites><orcidid>0000-0003-4683-5719 ; 0000-0001-8454-3341 ; 0000-0002-3074-1980 ; 0000-0003-2756-7210 ; 0000-0002-8425-5304 ; 0000-0002-6293-7945</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/5.0232332$$EHTML$$P50$$Gscitation$$Hfree_for_read</linktohtml><link.rule.ids>314,776,780,790,4498,27901,27902,76126</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/39601283$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Kunhunni, Amith</creatorcontrib><creatorcontrib>Varghese, Sleeba</creatorcontrib><creatorcontrib>Kannam, Sridhar Kumar</creatorcontrib><creatorcontrib>Sathian, Sarith P.</creatorcontrib><creatorcontrib>Daivis, Peter J.</creatorcontrib><creatorcontrib>Todd, B. D.</creatorcontrib><title>The influence of water polarization on slip friction at charged interfaces</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>The present study employs equilibrium molecular dynamics simulations to explore the potential mechanism for controlling friction by applying electrostatic fields in nanoconfined aqueous electrolytes. The slip friction coefficient demonstrates a gradual increase corresponding to the surface charge density for pure water and aqueous electrolytes, exhibiting a similar trend across both nanochannel walls. An expression is formulated to rationalize the observed slip friction behavior, describing the effect of the electric field on the slip friction coefficient. According to this formulation, the slip friction coefficient increases proportionally to the square of the uniform electric field emanating from the charged electrode. This increase in slip friction results from the energy change due to the orientation polarization of interfacial water dipoles. The minimal variations in the empirically determined proportionality constant for pure water and aqueous electrolytes indicate that water polarization primarily governs slip friction at charged interfaces. These findings offer insights into the electrical effects on nanoscale lubrication of aqueous electrolytes, highlighting the significant role of water polarization in determining slip.</description><subject>Aqueous electrolytes</subject><subject>Charge density</subject><subject>Coefficient of friction</subject><subject>Dipoles</subject><subject>Electric fields</subject><subject>Electrolytes</subject><subject>Friction</subject><subject>Molecular dynamics</subject><subject>Nanochannels</subject><subject>Polarization</subject><subject>Slip</subject><subject>Surface charge</subject><issn>0021-9606</issn><issn>1089-7690</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNp90E9LwzAYBvAgipvTg19ACl5U6HyTNGlzlOFfBl7muaTZG5fRtTNpEf30xm168CCEBF5-eXh5CDmlMKYg-bUYA-OMc7ZHhhQKleZSwT4ZAjCaKglyQI5CWAIAzVl2SAY8Dikr-JA8zRaYuMbWPTYGk9Ym77pDn6zbWnv3qTvXNkk8oXbrxHpnNgPdJWah_SvO49_IrTYYjsmB1XXAk907Ii93t7PJQzp9vn-c3ExTw3LepYVCkXELhc0rJqwsjK00Gow3U5JKXaESEqqCY1EBy0FrUzGe49xSqrngI3KxzV379q3H0JUrFwzWtW6w7UPJKeeZZIWCSM__0GXb-yZut1ECMiVoVJdbZXwbgkdbrr1baf9RUii_Cy5FuSs42rNdYl-tcP4rfxqN4GoLgnHdpr5_0r4AIneB9w</recordid><startdate>20241128</startdate><enddate>20241128</enddate><creator>Kunhunni, Amith</creator><creator>Varghese, Sleeba</creator><creator>Kannam, Sridhar Kumar</creator><creator>Sathian, Sarith P.</creator><creator>Daivis, Peter J.</creator><creator>Todd, B. D.</creator><general>American Institute of Physics</general><scope>AJDQP</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-4683-5719</orcidid><orcidid>https://orcid.org/0000-0001-8454-3341</orcidid><orcidid>https://orcid.org/0000-0002-3074-1980</orcidid><orcidid>https://orcid.org/0000-0003-2756-7210</orcidid><orcidid>https://orcid.org/0000-0002-8425-5304</orcidid><orcidid>https://orcid.org/0000-0002-6293-7945</orcidid></search><sort><creationdate>20241128</creationdate><title>The influence of water polarization on slip friction at charged interfaces</title><author>Kunhunni, Amith ; Varghese, Sleeba ; Kannam, Sridhar Kumar ; Sathian, Sarith P. ; Daivis, Peter J. ; Todd, B. D.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c273t-89e543f08f7b25f68cfbaecefba29616abe9560b83e8b0270aacb237edf11a353</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Aqueous electrolytes</topic><topic>Charge density</topic><topic>Coefficient of friction</topic><topic>Dipoles</topic><topic>Electric fields</topic><topic>Electrolytes</topic><topic>Friction</topic><topic>Molecular dynamics</topic><topic>Nanochannels</topic><topic>Polarization</topic><topic>Slip</topic><topic>Surface charge</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kunhunni, Amith</creatorcontrib><creatorcontrib>Varghese, Sleeba</creatorcontrib><creatorcontrib>Kannam, Sridhar Kumar</creatorcontrib><creatorcontrib>Sathian, Sarith P.</creatorcontrib><creatorcontrib>Daivis, Peter J.</creatorcontrib><creatorcontrib>Todd, B. D.</creatorcontrib><collection>AIP Open Access Journals</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kunhunni, Amith</au><au>Varghese, Sleeba</au><au>Kannam, Sridhar Kumar</au><au>Sathian, Sarith P.</au><au>Daivis, Peter J.</au><au>Todd, B. D.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The influence of water polarization on slip friction at charged interfaces</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2024-11-28</date><risdate>2024</risdate><volume>161</volume><issue>20</issue><issn>0021-9606</issn><issn>1089-7690</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>The present study employs equilibrium molecular dynamics simulations to explore the potential mechanism for controlling friction by applying electrostatic fields in nanoconfined aqueous electrolytes. The slip friction coefficient demonstrates a gradual increase corresponding to the surface charge density for pure water and aqueous electrolytes, exhibiting a similar trend across both nanochannel walls. An expression is formulated to rationalize the observed slip friction behavior, describing the effect of the electric field on the slip friction coefficient. According to this formulation, the slip friction coefficient increases proportionally to the square of the uniform electric field emanating from the charged electrode. This increase in slip friction results from the energy change due to the orientation polarization of interfacial water dipoles. The minimal variations in the empirically determined proportionality constant for pure water and aqueous electrolytes indicate that water polarization primarily governs slip friction at charged interfaces. These findings offer insights into the electrical effects on nanoscale lubrication of aqueous electrolytes, highlighting the significant role of water polarization in determining slip.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>39601283</pmid><doi>10.1063/5.0232332</doi><tpages>10</tpages><orcidid>https://orcid.org/0000-0003-4683-5719</orcidid><orcidid>https://orcid.org/0000-0001-8454-3341</orcidid><orcidid>https://orcid.org/0000-0002-3074-1980</orcidid><orcidid>https://orcid.org/0000-0003-2756-7210</orcidid><orcidid>https://orcid.org/0000-0002-8425-5304</orcidid><orcidid>https://orcid.org/0000-0002-6293-7945</orcidid><oa>free_for_read</oa></addata></record> |
fulltext | fulltext |
identifier | ISSN: 0021-9606 |
ispartof | The Journal of chemical physics, 2024-11, Vol.161 (20) |
issn | 0021-9606 1089-7690 1089-7690 |
language | eng |
recordid | cdi_crossref_primary_10_1063_5_0232332 |
source | American Institute of Physics (AIP) Journals |
subjects | Aqueous electrolytes Charge density Coefficient of friction Dipoles Electric fields Electrolytes Friction Molecular dynamics Nanochannels Polarization Slip Surface charge |
title | The influence of water polarization on slip friction at charged interfaces |
url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-04T14%3A13%3A08IST&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%20influence%20of%20water%20polarization%20on%20slip%20friction%20at%20charged%20interfaces&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Kunhunni,%20Amith&rft.date=2024-11-28&rft.volume=161&rft.issue=20&rft.issn=0021-9606&rft.eissn=1089-7690&rft.coden=JCPSA6&rft_id=info:doi/10.1063/5.0232332&rft_dat=%3Cproquest_cross%3E3133504951%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=3133504951&rft_id=info:pmid/39601283&rfr_iscdi=true |