Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results

Author

HANTAL, György^{1 2} ; DARVAS, Mária^{1 2} ; PARTAY, Livia B³ ; HORVAI, George^{4 5} ; JEDLOVSZKY, Pál^{1 4 6}
[1] Laboratory of Interfaces and Nanosize Systems, Institute of Chemistry, Eötvös Loránd University, Pázmány P Stny 1/A, 1117 Budapest, Hungary
[2] Institut UTINAM (CNRS UMR 6213), Université de Franche-Comté, 16 route de Gray, 25030 Besançon, France
[3] University Chemical Laboratory, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
[4] HAS Research Group of Technical Analytical Chemistry, Szt Gellért tér 4, 1111 Budapest, Hungary
[5] Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Szt Gellért tér 4, 1111 Budapest, Hungary
[6] EKF Department of Chemistry, Leányka u. 6, 3300 Eger, Hungary

Conference name

Modeling and Simulation of Water at Interfaces from Ambient to Supercooled Conditions. Workshop (2009)

Source

Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 28 ; 284112.1-284112.14 ; ref : 72 ref

CODEN

JCOMEL

ISSN

0953-8984

Scientific domain

Crystallography; Metallurgy, welding; Condensed state physics

Publisher

Institute of Physics, Bristol

Publication country

United Kingdom

Document type

Conference Paper

Language

English

Keyword (fr)

Eau Effet échelle Ensemble canonique Interface fluide fluide Méthode dynamique moléculaire Orientation moléculaire Propriété interface Rugosité Simulation ordinateur Subsurface

Keyword (en)

Water Scale effect Canonical ensemble Fluid-fluid interfaces Molecular dynamics method Molecular orientation Interface properties Roughness Computerized simulation Subsurface

Keyword (es)

Efecto escala Propiedad interfase Subsuelo

Classification

Pascal

001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H10 Fluid surfaces and fluid-fluid interfaces

Discipline

Physics of condensed state : structure, mechanical and thermal properties

Origin

Inist-CNRS

Database

PASCAL

INIST identifier

23025871

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS