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

被引：44
作者：
Sega, Marcello [1 ]
Fabian, Balazs [2 ,3 ]
Jedlovszky, Pal [4 ,5 ,6 ]
机构：
[1] Univ Vienna, Computat Phys Grp, A-1090 Vienna, Austria
[2] Univ Franche Comte, CNRS UMR 6213, Inst UTINAM, F-25030 Besancon, France
[3] Budapest Univ Technol & Econ, Dept Inorgan & Analyt Chem, H-1111 Budapest, Hungary
[4] Eotvos Lorand Univ, Inst Chem, Lab Interfaces & Nanosize Syst, H-1117 Budapest, Hungary
[5] MTA BME Res Grp Tech Analyt Chem, H-1111 Budapest, Hungary
[6] EKF, Dept Chem, H-3300 Eger, Hungary
来源：
JOURNAL OF CHEMICAL PHYSICS | 2015年 / 143卷 / 11期
基金：
欧盟地平线“2020”;
关键词：
COMPUTER-SIMULATION; SURFACE; DYNAMICS; MEMBRANES; PROFILE;
D O I：
10.1063/1.4931180
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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. (C) 2015 AIP Publishing LLC.
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页数：8
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