How Is the Surface Tension of Various Liquids Distributed along the Interface Normal?

Autor(en)

Marcello Sega, Balazs Fabian, George Horvai, Pal Jedlovszky

Abstrakt

The tangential pressure profile has been calculated across the liquid-vapor interface of five molecular liquids, i.e., CCl

₄, acetone, acetonitrile, methanol, and water, in molecular dynamics simulations using a recently developed method. Because the value of the surface tension is directly related to the integral of this profile, the obtained results can be interpreted in terms of the distribution of the surface tension along the interface normal, both as a function of distance, either from the Gibbs dividing surface or from the capillary wave corrugated real, intrinsic liquid surface, and also in a layerwise manner. The obtained results show that the surface tension is distributed in a 1-2 nm wide range along the interface normal, and at least 85% of its value comes from the first molecular layer of the liquid in every case. The remaining, roughly 10% contribution comes from the second layer, with the exception of methanol, in which the entire surface tension can be accounted for by the first molecular layer. Contributions of the third and subsequent molecular layers are found to be already negligible in every case. (Graph Presented).

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

Budapest University of Technology and Economics, Université de Franche-Comté, Eszterházy Károly University of Applied Sciences

Journal

The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces)

Band

120

Seiten

27468-27477

Anzahl der Seiten

10

ISSN

1932-7447

DOI

https://doi.org/10.1021/acs.jpcc.6b09880

Publikationsdatum

12-2016

Peer-reviewed

Ja

ÖFOS 2012

103006 Chemische Physik, 103018 Materialphysik

Schlagwörter

ASJC Scopus Sachgebiete

Electronic, Optical and Magnetic Materials, Allgemeine Energie, Surfaces, Coatings and Films, Physical and Theoretical Chemistry

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/9d50b542-ce40-4c4a-b434-fc74cc58f643