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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