scholarly journals Dual responsive PMEEECL–PAE block copolymers: a computational self-assembly and doxorubicin uptake study

RSC Advances ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 3233-3245 ◽  
Author(s):  
Amin Koochaki ◽  
Mohammad Reza Moghbeli ◽  
Sousa Javan Nikkhah ◽  
Alessandro Ianiro ◽  
Remco Tuinier
Keyword(s):  
Block Copolymers ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Dual Responsive ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Dynamics Simulations

The self-assembly behaviour of dual-responsive block copolymers and their ability to solubilize the drug doxorubicin is demonstrated using molecular dynamics simulations, coarse-grained force field simulations and self-consistent field theory.

Ordering kinetics of lamella-forming block copolymers under the guidance of various external fields studied by dynamic self-consistent field theory

2017 ◽  
Vol 19 (9) ◽  
pp. 6707-6720 ◽  
Author(s):  
Xiaomin Wan ◽  
Tong Gao ◽  
Liangshun Zhang ◽  
Jiaping Lin
Keyword(s):  
Block Copolymers ◽  
Self Assembly ◽  
The Self ◽  
Ordering Kinetics ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Kinetics Of ◽  
Permanent Field

We theoretically engineer a new scheme, which integrates a permanent field for pattern registration and a dynamic external field for defect annihilation, to direct the self-assembly of block copolymers.

Applications of worm-like chain model in polymer physics

2018 ◽  
Vol 32 (18) ◽  
pp. 1840006 ◽  
Author(s):  
Xin Xu ◽  
Ying Jiang
Keyword(s):  
Field Theory ◽  
Polymer System ◽  
The Self ◽  
Coarse Grained ◽  
Chain Rigidity ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Chain Conformations

Saito, Takahashi and Yunoki developed the continuous version of worm-like chain (WLC) model that is very suitable for description of the polymer conformational properties affected by chain rigidity. By adjusting persistence length directly, the WLC model can depict the extensive range of chain conformations from flexible chains to rigid chains. It is widely accepted that more physical properties of real polymer can be obtained by utilizing coarse-grained model than Gaussian chain (GSC). This paper reviews the applications of the WLC model in the framework based on self-consistent field theory, which is an efficient method of theoretical exploration of phase separation in polymer system. It is noticed that the development of numerical schemes is in favor of solving modified diffusion equation that adjusts the probability distribution of polymers. In addition, we conclude the recent applications of the self-consistent field theory based on the WLC model as the following three points: phase transitions of liquid crystal polymer; the influences of surface curvature on polymer system that involves the chain orientation effects; self-assembly of worm-like block copolymer. These researches have been out of the range of the self-consistent field theory based on GSC model that has been used in a large number of theoretical studies. Finally, we present ideas of theoretical development in field theory simulations based on the WLC model in the future. It is universally acknowledged that chain rigidity is a key factor that influences the properties of structural stabilities in the meso-scale in articles. Theoretical researches determine the key physical mechanisms that play crucial roles in many experimental systems with attractively promising applications in practice, for systems such as liquid crystalline polymers and organic solar cell based on the conjugated polymers.

Self-consistent field theory investigation of directed self-assembly in cylindrical confinement

2014 ◽  
Vol 53 (2) ◽  
pp. 142-153 ◽  
Author(s):  
Nabil Laachi ◽  
Kris T. Delaney ◽  
Bongkeun Kim ◽  
Su-Mi Hur ◽  
Robert Bristol ◽  
...  
Keyword(s):  
Field Theory ◽  
Self Assembly ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

scholarly journals Identification of Some New Triply Periodic Mesophases from Molten Block Copolymers

Polymers ◽  
2019 ◽  
Vol 11 (6) ◽  
pp. 1081 ◽  
Author(s):  
Junhan Cho
Keyword(s):  
Block Copolymers ◽  
Mirror Reflection ◽  
Free Energies ◽  
Consistent Field ◽  
Mesophase Formation ◽  
Triply Periodic ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Network Morphology

Using field-theoretic simulations based on a self-consistent field theory (SCFT) with or without finite compressibility, nanoscale mesophase formation in molten linear AB and ABC block copolymers is investigated in search of candidates for new and useful nanomaterials. At selected compositions and segregation strengths, the copolymers are shown to evolve into some new nanostructures with either unusual crystal symmetry or a peculiar morphology. There exists a holey layered morphology with Im3 symmetry, which lacks one mirror reflection compared with Im3m symmetry. Also, a peculiar cubic bicontinuous morphology, whose channels are connected with tetrapod units, is found to have Pn3m symmetry. It is shown that there is another network morphology with tripod connections, which reveals P432 symmetry. The optimized free energies of these new mesophases and their relative stability are discussed in comparison with those of double gyroids and double diamonds.

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