In this paper, the adsorption energy of an acicular (prolate and cylindrical) particle onto a liquid-fluid interface and the effect of the line tension are investigated. The results show that, without line tension, acicular particles always prefer to lie flat in the plane of the interface. However, line tension plays a significant role in determining the adsorption of an acicular particle. First, the line tension creates an energy barrier for the adsorption of particles onto an interface. The planar configuration has a larger energy barrier due to the longer contact line. Therefore, the particles prefer to enter the interface in a homeotropic configuration and then rearrange to a planar configuration or an oblique configuration with a small tilt angle. Second, for prolate particles, an energy maximum occurs at some tilt angles when the line tension is large. Therefore, once the prolate particle is adsorbed on the interface in a homeotropic configuration or with a larger tilt angle, it must conquer an energy barrier to rearrange to a planar configuration. For cylindrical particles, when the line tension is higher, the planar configuration will not be the most energy-favorable configuration. The cylindrical particles prefer to stay in the interface with a small tilt angle.
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http://dx.doi.org/10.1021/la047851v | DOI Listing |
J Nat Prod
January 2025
Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, La Jolla, California 92093, United States.
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The Department of Chemistry, State University of New York at Binghamton, Binghamton, New York 13902, United States.
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January 2025
Yantai Institute of Coastal Zone Research, Coastal biology and Bioresource Utilization, 17 Chunhui Road, 264003, Yantai, CHINA.
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January 2025
Shanxi University, Institute of Molecular Science, CHINA.
Delocalized multicenter bonds play a crucial role in clusters with a planar hypercoordinate center(s), making it difficult for highly electronegative elements, especially halogen atoms, to achieve the planar hypercoordinate arrangement. Herein, we introduce a star-like cluster Br6Li5-, whose global minimum contains a planar pentacoordinate bromine (ppBr). In this cluster, the central ppBr atom coordinates with five alkali metal Li atoms, which in turn bridge an equal number of electronegative Br atoms in the periphery, leading to the formation of the binary cluster Br6Li5-.
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January 2025
Faculty of Physics, University of Warsaw, Pasteura 5, PL-02093 Warsaw, Poland.
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