By means of a large-scale molecular dynamics simulation, we show that the Tolman length, although positive, is much smaller in magnitude than previously reported. We found that the range of interparticle interaction can significantly affect the magnitude of the Tolman length. When the range of interaction is longer than five molecular diameters, the Tolman length is on the order of a few hundredths of the molecular diameter, rather than a few tenths known previously.
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Sci Rep
December 2024
Faculté des Sciences et Technologies, LEMTA - Université de Lorraine - CNRS UMR 7563, Boîte Postale 70239, Vandoeuvre les Nancy cedex, 54506, France.
The wetting characteristics of fluids play a crucial role in various fields of interface and surface science. Contact angle serves as a fundamental indicator of wetting behavior. However, accurate quantification of wetting phenomena even at the macroscale often poses challenges, particularly due to the hysteresis between receding and advancing contact angles.
View Article and Find Full Text PDFJ Chem Phys
November 2024
Department of Mechanical Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan.
Through the decomposition of the pressure into the kinetic and the intermolecular contributions, we show that the pressure anisotropy in the fluid interface, which is the source of the interfacial tension, comes solely from the latter contribution. The pressure anisotropy due to the intermolecular force between the fluid particles in the same or the different fluid components is approximately proportional to the multiplication of the corresponding fluid density gradients, and from the molecular dynamics simulation of the liquid-vapor and liquid-liquid interfaces, we demonstrate that the density gradient theory by van der Waals gives the leading order approximation of the free energy density in inhomogeneous systems, neglecting the Tolman length.
View Article and Find Full Text PDFJ Hered
August 2024
Department of Plant and Wildlife Sciences, Brigham Young University, Provo, UT, 84604, USA.
J Chem Phys
May 2024
Department of Chemistry and Chemical Engineering, Guangxi Minzu University, Key Laboratory of Chemistry and Engineering of Forest Products, State Ethnic Affairs Commission, Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, Guangxi Collaborative Innovation Center for Chemistry and Engineering of Forest Products, Key Laboratory of Guangxi Colleges and Universities for Food Safety and Pharmaceutical Analytical Chemistry, Nanning 530006, People's Republic of China.
Surface tension and interfacial tension are crucial to the study of nanomaterials. Herein, we report a solubility method using magnesium oxide nanoparticles of different radii (1.8-105.
View Article and Find Full Text PDFJ Chem Phys
April 2024
Soft Condensed Matter & Biophysics, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 1, 3584 CC Utrecht, The Netherlands.
By employing brute-force molecular dynamics, umbrella sampling, and seeding simulations, we investigate homogeneous nucleation during melting and freezing of hard spheres. We provide insights into these opposing phase transitions from the standpoint of classical nucleation theory. We observe that melting has both a lower driving force and a lower interfacial tension than freezing.
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