A Novel Nanocage from the Cooperative Self‐Assembly of Coil–Rod–Coil Triblock Copolymers and Nanopartilces

Abstract

Dissipative particle dynamics (DPD) simulations are performed to study the cooperative self-assembly of coil-rod-coil triblock copolymers and nanoparticles in solution. The results show that, when the nanoparticle concentration exceeds a given value, the ternary systems can form a novel nanocage composed of two-end coil-caps and middle rod-linkers. The novel nanocage is very similar to the real bird cage and the captured nanoparticles like the bird. It is the first nanocage from the self-assembly of coil-rod-coil triblock copolymers. This may be used for the release of drugs and fertilizers, or as nanoreactors.

Complex Multicompartment Micelles from Simple ABC Linear Triblock Copolymers in Solution

“…The micelles from Figure d4 to 2d6 are composed of the cage of B blocks and the core of C blocks. This kind of cage structure had been found in the self‐assembly of rod‐coil triblock copolymers . The morphology of micelle in Figure d7 is that the weakly solvophobic B blocks form the helix ribbonlike aggregate wrapping the core (helix‐on‐sphere).…”

Morphology and molecular bridging in comb- and star-shaped diblock copolymers

“…Among several mesoscale simulations techniques, the Dissipative Particle Dynamics (DPD) technique is suitable and convenient for the analysis of complex fluids at lengthand time-scales necessary to examine the self-assembled morphologies. 17 DPD has been shown to effectively simulate self-assembly for a variety of copolymer architectures including: diblock, 18-20 random, 21 graft, 22 or comb, 23 star, 24,25 homopolymer copolymer blends, 26 copolymers in confined spaces, 27,28 block terpolymers, 29 coil-comb polymers, 30 dendritic diblocks, 31 copolymer nanorod mixtures, 32 diblock nanoparticle mixtures, 33,34 polymer solutions, 35 coil-rod-coil triblocks, 36 and miktoarm block copolymers. 37 It has been shown in experimental investigations 38, 39 and DPD simulations that certain self-assembled diblock copolymers (e.g., comb-and star-shaped) have the ability to interconnect two A-rich phases, effectively behaving as an A-B-A tri-block copolymer.…”