Numerical approaches to determine the interface tension of curved interfaces from free energy calculations

Journal of Chemical Physics

Volumn 136, Issue 6, 2012, Pages

  Troster A ^a,b   Oettel, M ^b   Block, B ^b   Virnau, P ^b   Binder, K ^b  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL ENSEMBLE; CONVENTIONAL THEORY; CRITICAL DROPLETS; CURVED INTERFACE; FINITE SIZE EFFECT; FREE-ENERGY CALCULATIONS; LENNARD JONES; LENNARD-JONES SYSTEMS; LIQUID-VAPOR INTERFACE; NUCLEATION BARRIER; NUMERICAL APPROACHES; NUMERICAL RESULTS; SPHERICAL DROPLETS; SURFACE FREE ENERGY; THERMO DYNAMIC ANALYSIS; THERMODYNAMIC THEORY; TOTAL DENSITY;

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DROPS; NUCLEATION; NUMERICAL METHODS; THERMOANALYSIS;

FREE ENERGY;

EID: 84857307656     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3685221     Document Type: Conference Paper

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