Abstract:Knowing the energetic topology of a surface is important, especially with regard to membrane fouling. In this study, molecular computations were carried out to determine the energetic topology of a polyvinylidene fluoride (PVDF) membrane with different surface wettability and three representative probe molecules (namely argon, carbon dioxide and water) of different sizes and natures. Among the probe molecules, water has the strongest interaction with the PVDF surface, followed by carbon dioxide and then argon.… Show more
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