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疏水膜润湿性：盐度和温度的影响。

Hydrophobic Membrane Wettability: Effects of Salinity and Temperature.

作者信息

Kaya Orhan

机构信息

Department of Mechanical Engineering and Mechanics, Lehigh University, Bethlehem, PA 18015, USA.

出版信息

Membranes (Basel). 2025 Feb 9;15(2):58. doi: 10.3390/membranes15020058.

DOI:10.3390/membranes15020058
PMID:39997684
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11857761/
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.

摘要

在本研究中，采用分子动力学（MD）模拟来研究盐度（NaCl）和温度（25℃和80℃）对实际建模的疏水性聚四氟乙烯（PTFE）表面上液滴润湿性的影响。使用纯水和8.45%的NaCl溶液分析了20、25和30纳米的液滴尺寸。结果表明，盐度增加了接触角，通过破坏界面处水的氢键并减小铺展面积来增强PTFE的疏水性。较高的温度也通过减少水的结构导致接触角增加，尽管这种影响不如盐度明显。离子浓度分析表明，大量离子从PTFE表面迁移离开，通过径向分布函数（RDF）分析进一步阐明了这一现象。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/6cb99cd39a2d/membranes-15-00058-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/da746aa56dba/membranes-15-00058-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/75fe7cd4d8a8/membranes-15-00058-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/14c6f8d4b156/membranes-15-00058-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/62f9c9a46bb9/membranes-15-00058-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/f975c32106a1/membranes-15-00058-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/48f321263919/membranes-15-00058-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/00e012554412/membranes-15-00058-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/91a84232e50c/membranes-15-00058-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/725226fbdf13/membranes-15-00058-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/6cb99cd39a2d/membranes-15-00058-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/da746aa56dba/membranes-15-00058-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/75fe7cd4d8a8/membranes-15-00058-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/14c6f8d4b156/membranes-15-00058-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/62f9c9a46bb9/membranes-15-00058-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/f975c32106a1/membranes-15-00058-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/48f321263919/membranes-15-00058-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/00e012554412/membranes-15-00058-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/91a84232e50c/membranes-15-00058-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/725226fbdf13/membranes-15-00058-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90aa/11857761/6cb99cd39a2d/membranes-15-00058-g010.jpg

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