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Title: Nanoparticles at liquid interfaces: Rotational dynamics and angular locking

Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at different angular orientations of the nanoparticle. Due to their atomistic nature, the studied nanoparticles present both microscale and macroscale geometrical features and cannot be accurately modeled as a perfectly smooth body (e.g., spheres and cylinders). Under certain physical conditions, microscale features can produce free energy barriers that are much larger than the thermal energy of the surrounding media. The presence of these energy barriers can effectively “lock” the particle at specific angular orientations with respect to the liquid-liquid interface. This work provides new insights on the rotational dynamics of Brownian particles at liquid interfaces and suggests possible strategies to exploit the effects of microscale features with given geometric characteristics.
Authors:
;  [1] ;  [2] ;  [3]
  1. Department of Chemical Engineering, City College of City University of New York, New York, New York 10031 (United States)
  2. Department of Physics and The Benjamin Levich Institute for Physico-chemical Hydrodynamics, City College of City University of New York, New York, New York 10031 (United States)
  3. Department of Mechanical Engineering, Stony Brook University, Stony Brook, New York 11794 (United States)
Publication Date:
OSTI Identifier:
22253650
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 1; Other Information: (c) 2014 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; 77 NANOSCIENCE AND NANOTECHNOLOGY; FREE ENERGY; INTERFACES; LIQUIDS; MOLECULAR DYNAMICS METHOD; NANOSTRUCTURES; PARTICLES; SIMULATION; SURFACES