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

• DOI: 10.1063/1.4931180
• Publication Date: 2015-09-21T19:04:02Z
• Authors: Marcello Sega; Balázs Fábián; Pál Jedlovszky
• Keywords: DYNAMICS; 104002 Analytische Chemie; QC03 Heat. Thermodinamics / hőtan; 103015 Kondensierte Materie; 103006 Chemical physics; Entropy; SURFACE-TENSION; 02 engineering and technology; QD02 Physical chemistry / fizikai kémia; 103020 Oberflächenphysik; MEMBRANES; 01 natural sciences; [PHYS] Physics [physics]; Liquid-vapor interface; Thermodynamic properties; 103020 Surface physics; 103015 Condensed matter; 104002 Analytical chemistry; 0103 physical sciences; 103006 Chemische Physik; WATER; DISTRIBUTIONS; termodinamika; Free energy; COMPUTER-SIMULATIONS; Thermal capillary waves; [PHYS]Physics [physics]; Molecular liquids; Computer simulation; 540; Potential energy surfaces; Thermodynamic functions; LENNARD-JONES SYSTEM; LIQUID-LIQUID INTERFACE; PRESSURE PROFILES; Chemical bonding; 0210 nano-technology

Interfaces are ubiquitous objects, whose thermodynamic behavior we only recently started to understand at the microscopic detail. Here, borrow concepts from techniques of surface identification and intrinsic analysis, provide a complementary point view on density, stress, energy, free energy distribution across liquid ("soft") interfaces by analyzing respective contributions coming successive layers.