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Title: Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces

Interfaces are ubiquitous objects, whose thermodynamic behavior we only recently started to understand at the microscopic detail. Here, we borrow concepts from the techniques of surface identification and intrinsic analysis, to provide a complementary point of view on the density, stress, energy, and free energy distribution across liquid (“soft”) interfaces by analyzing the respective contributions coming from successive layers.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [3] ;  [3]
  1. Computational Physics Group, University of Vienna, Sensengasse 8/9, 1090 Vienna (Austria)
  2. Institut UTINAM (CNRS UMR 6213), Université de Franche-Comté, 16 route de Gray, F-25030 Besançon (France)
  3. (Hungary)
  4. Laboratory of Interfaces and Nanosize Systems, Institute of Chemistry, Eötvös Loránd University, Pázmány P. Stny 1/A, H-1117 Budapest (Hungary)
Publication Date:
OSTI Identifier:
22489624
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 11; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DENSITY; DISTRIBUTION; FREE ENERGY; INTERFACES; LAYERS; LIQUIDS; STRESSES; SURFACES