{"title":"Hydrophobic Membrane Wettability: Effects of Salinity and Temperature.","authors":"Orhan Kaya","doi":"10.3390/membranes15020058","DOIUrl":null,"url":null,"abstract":"<p><p>In this study, molecular dynamics (MD) simulations were used to investigate the effects of salinity (NaCl) and temperature (25 °C and 80 °C) on the wettability of droplets on a realistically modeled hydrophobic PTFE (polytetrafluoroethylene) surface. Droplet sizes of 20, 25, and 30 nm were analyzed using both pure water and 8.45% NaCl solutions. The results indicated that salinity increased the contact angles, strengthening the PTFE's hydrophobicity by disrupting the water's hydrogen bonding at the interface and reducing the spreading area. Higher temperatures also led to an increase in contact angles by decreasing water structuring, although this effect was less pronounced than that of salinity. Ion concentration analysis revealed that a significant number of ions migrated away from the PTFE surface, a phenomenon further clarified through radial distribution function (RDF) analysis.</p>","PeriodicalId":18410,"journal":{"name":"Membranes","volume":"15 2","pages":""},"PeriodicalIF":3.3000,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11857761/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Membranes","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.3390/membranes15020058","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
In this study, molecular dynamics (MD) simulations were used to investigate the effects of salinity (NaCl) and temperature (25 °C and 80 °C) on the wettability of droplets on a realistically modeled hydrophobic PTFE (polytetrafluoroethylene) surface. Droplet sizes of 20, 25, and 30 nm were analyzed using both pure water and 8.45% NaCl solutions. The results indicated that salinity increased the contact angles, strengthening the PTFE's hydrophobicity by disrupting the water's hydrogen bonding at the interface and reducing the spreading area. Higher temperatures also led to an increase in contact angles by decreasing water structuring, although this effect was less pronounced than that of salinity. Ion concentration analysis revealed that a significant number of ions migrated away from the PTFE surface, a phenomenon further clarified through radial distribution function (RDF) analysis.
MembranesChemical Engineering-Filtration and Separation
CiteScore
6.10
自引率
16.70%
发文量
1071
审稿时长
11 weeks
期刊介绍：
Membranes (ISSN 2077-0375) is an international, peer-reviewed open access journal of separation science and technology. It publishes reviews, research articles, communications and technical notes. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. There is no restriction on the length of the papers. Full experimental and/or methodical details must be provided.
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