Bulletin of the American Physical Society
71st Annual Meeting of the APS Division of Fluid Dynamics
Volume 63, Number 13
Sunday–Tuesday, November 18–20, 2018; Atlanta, Georgia
Session D25: Focus Session: Hydrodynamics of Particles and Macromolecules at Fluid Interfaces II
2:30 PM–4:27 PM,
Sunday, November 18, 2018
Georgia World Congress Center
Room: B313
Chair: Carlos E. Colosqui, Stony Brook University
Abstract ID: BAPS.2018.DFD.D25.4
Abstract: D25.00004 : Free energy landscape of Janus nanoparticles at a liquid/vapor interface
3:09 PM–3:22 PM
Presenter:
Joel Koplik
(City College of New York CUNY)
Authors:
Joel Koplik
(City College of New York CUNY)
Charles Maldarelli
(City College of New York CUNY)
While homogeneous colloidal particles select their position at an interface based on density and equilibrium contact angle alone, surface heterogeneities can produce multiple local equilibria with varying immersion depths and particle orientation, and hysteretic behavior in dynamic situations. The understanding and potential control of colloidal configurations is facilitated by the free energy landscape – the particle’s free energy as a function of its immersion depth and orientation – which is easily calculated in the continuum approximation assuming a flat liquid/vapor interface. Using molecular dynamics simulations for a Janus nanoparticle, we calculate the molecular-level free energy landscape by thermodynamic integration, incorporating both thermal fluctuations and bending of the interface due to local wetting angles on the particle surface. We find significant differences between continuum and molecular free energies surfaces both in numerical values and in the presence of local minima, and illustrate the distinction by simulations of particle migration to the interface from either the vapor or the liquid phase.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.DFD.D25.4
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