Relation between the Liquid Spinodal Pressure and the Lateral Pressure Profile at the Liquid-Vapor Interface

Autor(en)

Marcello Sega, Balazs Fabian, Attila R. Imre, Pal Jedlovszky

Abstrakt

Computer simulations of the liquid vapor interface of the Lennard-Jones fluid and SPC/E water are performed on the (N,V,T) ensemble at various temperatures, in order to compare the minimum of the lateral pressure profile with the spinodal pressure. Our results show that these two pressures agree within error bars for water in a rather broad range of temperatures, but only a direct proportionality between these values is found in the case of the Lennard-Jones system. Our results might offer a novel tool to estimate the spinodal line in situations of practical relevance.

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, Magyar Tudományos Akadémia

Journal

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

Band

121

Seiten

12214-12219

Anzahl der Seiten

6

ISSN

1932-7447

DOI

https://doi.org/10.1021/acs.jpcc.7b02573

Publikationsdatum

06-2017

Peer-reviewed

Ja

ÖFOS 2012

103015 Kondensierte Materie, 103006 Chemische Physik

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/bc8ecca0-c278-4d98-a425-5acf8a8af6ca