Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 142, Issue 23, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4922689
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Funding
- National Science Foundation [CBET-1033662]
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Molecular dynamics simulations are carried out to study the translational and rotational diffusion of a single Janus particle immersed in a dense Lennard-Jones fluid. We consider a spherical particle with two hemispheres of different wettabilities. The analysis of the particle dynamics is based on the time-dependent orientation tensor, particle displacement, as well as the translational and angular velocity autocorrelation functions. It was found that both translational and rotational diffusion coefficients increase with decreasing surface energy at the nonwetting hemisphere, provided that the wettability of the other hemisphere remains unchanged. We also observed that in contrast to homogeneous particles, the nonwetting hemisphere of the Janus particle tends to rotate in the direction of the displacement vector during the rotational relaxation time. (C) 2015 AIP Publishing LLC.
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