Selective encapsulation by Janus particles

We employ Monte Carlo simulation to examine encapsulation in a system comprising Janus oblate spheroids and isotropic spheres. More specifically, the impact of variations in temperature, particle size, inter-particle interaction range, and strength is examined for a system in which the spheroids act...

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Bibliographic Details
Published in:The Journal of chemical physics 2015-06, Vol.142 (24), p.244705-244705
Main Authors: Li, Wei, Ruth, Donovan, Gunton, James D, Rickman, Jeffrey M
Format: Article
Language:English
Subjects:
Computer simulation
COMPUTERIZED SIMULATION
ENCAPSULATION
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
MONTE CARLO METHOD
Monte Carlo simulation
Nanoparticles
Oblate spheroids
Parameter identification
PARTICLE INTERACTIONS
PARTICLE SIZE
PARTICLES
Physics
SPHERES
SPHEROIDS
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Summary:We employ Monte Carlo simulation to examine encapsulation in a system comprising Janus oblate spheroids and isotropic spheres. More specifically, the impact of variations in temperature, particle size, inter-particle interaction range, and strength is examined for a system in which the spheroids act as the encapsulating agents and the spheres as the encapsulated guests. In this picture, particle interactions are described by a quasi-square-well patch model. This study highlights the environmental adaptation and selectivity of the encapsulation system to changes in temperature and guest particle size, respectively. Moreover, we identify an important range in parameter space where encapsulation is favored, as summarized by an encapsulation map. Finally, we discuss the generalization of our results to systems having a wide range of particle geometries.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4922781