Abstract
AbstractRandom copolymer nanoparticles are studied by Monte Carlo simulation of coarse‐grained models on the second nearest neighbor diamond (2nnd) lattice. Molecular and surface properties of free‐standing nanoparticle are characterized as a function of co‐monomer fraction. “Polyethylene‐like copolymer” chains are treated by the Rotational Isomeric State (RIS) model of polyethylene (PE). To mimic the characteristics of copolymer chain, non‐bonded interactions with stronger attraction of comonomer units are described by different Lennard‐Jones (LJ) potential parameters. For higher co‐monomer fraction, the bulk densities of nanoparticles are increased and the interfacial profile is sharper. Molecular dimension and shape are changed as a function of co‐monomer composition and mostly in the region close to the surface.
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