Phase transition of a diblock copolymer and homopolymer hybrid system induced by different properties of nanorods

Geng, Xiao-bo; Pan, Jun-Xing; Zhang, Jinjun; Sun, Min-Na; Cen, Jianyong

doi:10.1088/1674-1056/27/5/058102

Cited by 4 publications

(2 citation statements)

References 89 publications

(86 reference statements)

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“…To explore the phase behavior of the mobile nanorods in an asymmetric diblock copolymer, we use a hybrid method referred to as the CH/BD model, which has been widely used by various researchers. [41][42][43][44][45] The diblock copolymer is composed of A and B components, and the degrees of polymerization of blocks A and B are N A and N B , respectively. Herein, the diblock copolymer is treated as asymmetric, i.e., N A = N B .…”

Section: Model and Methodsmentioning

confidence: 99%

Phase transition of asymmetric diblock copolymer induced by nanorods of different properties*

Guo

2021

Chinese Phys. B

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We investigate the microphase transition of asymmetric diblock copolymer induced by nanorods of different properties using cell dynamics simulation and Brown dynamics. The results show the phase diagram and representative nanostructures of the diblock copolymer nanocomposite. Various structures such as sea-island structure (SI), sea-island and lamellar structure (SI-L), and lamellar structure (L) are observed in the phase diagram. The system undergoes phase transition from SI-L to SI or from L to SI with increasing length of A-like sites for all numbers of nanorods except 10 and 300, and from SI to L with increasing number of nanorods for all lengths of A-like sites. Notably, the polymer system transforms from a tilted layered structure to a parallel lamellar, perpendicular lamellar, and subsequently sea-island structure with increasing length of A-like sites for a rod number of 240. To gain more detailed insight into these structural formation mechanisms, we analyze the evolution kinetics of the system with various lengths of A-like sites of the rods. The pattern evolution and domain growth of the ordered parallel/perpendicular lamellar structure are also investigated. Furthermore, the effects of the wetting strength, rod-rod interaction, polymerization degree, and length of nanorods on the self-assembled structure of asymmetric diblock copolymer/nanorods are studied. Our simulations provide theoretical guidance on the construction of complex-assembled structures and the design of novel functional materials.

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Section: Model and Methodsmentioning

confidence: 99%

Phase transition of asymmetric diblock copolymer induced by nanorods of different properties*

Guo

2021

Chinese Phys. B

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“…Diblock copolymer systems can self-assemble into various ordered mesoscopic structures as the result of polymer-polymer and/or polymer-solvent interactions, which are often exploited in materials science and engineering, in particular, in nanotechnologies. [1][2][3][4][5] The self-consistent field approach and associated numerical simulation have been proven to be effective means to investigate coarsening dynamics in copolymer systems. The seminal work of Ohta and Kawasaki [6] laid the foundation of phase field models for diblock copolymer systems.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamically consistent model for diblock copolymer melts coupled with an electric field

Shen

Wang

2022

Chinese Phys. B

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Mechanism for the Self-Assembly of Hollow Micelles from Rod-Coil Block Copolymers

Zhang¹

2019

Chinese Phys. Lett.

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The mechanism for the self-assembly of hollow micelles from rod-coil diblock copolymers is proposed. In a coil-selective solvent, the diblock copolymers self-assemble into a layered structure. It is assumed that the rigid rods form an elastic shell whose properties are dictated by a bending energy. For a hollow micelle, the coils outside the micelle form a brush, while the coils inside the micelle can be in two different states, a brush or an adsorption layer, corresponding to symmetric or asymmetric configurations, respectively. The total energy density of a hollow micelle is calculated by combining the interfacial energy, elastic bending energy and the stretching energy of the brushes. For the asymmetric configuration with a polymer brush on one side, the competition between the elastic bending energy and the brush stretching energy leads to a finite spontaneous curvature, stabilizing hollow spherical micelles. Comparison of the free energy density for different geometries demonstrates that transitions for the different geometry micelles are controlled by the degree of polymerization of the coils and the length of the rods. These results are in agreement with the experimental results.

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Phase transition of a diblock copolymer and homopolymer hybrid system induced by different properties of nanorods

Cited by 4 publications

References 89 publications

Phase transition of asymmetric diblock copolymer induced by nanorods of different properties*

Phase transition of asymmetric diblock copolymer induced by nanorods of different properties*

Thermodynamically consistent model for diblock copolymer melts coupled with an electric field

Mechanism for the Self-Assembly of Hollow Micelles from Rod-Coil Block Copolymers

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