Dynamics of Nonequilibrium Single-Chain Conformations in Triblock Copolymers

2021 ◽  
Author(s):  
Marcus Müller
Keyword(s):  
Triblock Copolymers ◽  
Single Chain ◽  
Chain Conformations

scholarly journals Single Chain Mean-Field Theory Study on Responsive Behavior of Semiflexible Polymer Brush

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 778
Author(s):  
Yingli Niu ◽  
Xiangyu Bu ◽  
Xinghua Zhang
Keyword(s):  
Field Theory ◽  
Message Passing Interface ◽  
Mean Field Theory ◽  
Mean Field ◽  
Algorithmic Complexity ◽  
Ensemble Average ◽  
Single Chain ◽  
Metropolis Monte Carlo ◽  
Rigid Rod ◽  
Chain Conformations

The application of single chain mean-field theory (SCMFT) on semiflexible chain brushes is reviewed. The worm-like chain (WLC) model is the best mode of semiflexible chain that can continuously recover to the rigid rod model and Gaussian chain (GC) model in rigid and flexible limits, respectively. Compared with the commonly used GC model, SCMFT is more applicable to the WLC model because the algorithmic complexity of the WLC model is much higher than that of the GC model in self-consistent field theory (SCFT). On the contrary, the algorithmic complexity of both models in SCMFT are comparable. In SCMFT, the ensemble average of quantities is obtained by sampling the conformations of a single chain or multi-chains in the external auxiliary field instead of solving the modified diffuse equation (MDE) in SCFT. The precision of this calculation is controlled by the number of bonds Nm used to discretize the chain contour length L and the number of conformations M used in the ensemble average. The latter factor can be well controlled by metropolis Monte Carlo simulation. This approach can be easily generalized to solve problems with complex boundary conditions or in high-dimensional systems, which were once nightmares when solving MDEs in SCFT. Moreover, the calculations in SCMFT mainly relate to the assemble averages of chain conformations, for which a portion of conformations can be performed parallel on different computing cores using a message-passing interface (MPI).

Single Chain Conformations

1996 ◽  
pp. 13-61
Author(s):  
Gert R. Strobl
Keyword(s):  
Single Chain ◽  
Chain Conformations

Single Chain Conformations

1997 ◽  
pp. 13-61
Author(s):  
Gert R. Strobl
Keyword(s):  
Single Chain ◽  
Chain Conformations

scholarly journals “Soldier–Sergeant–Soldier” triblock copolymers: revealing the folded structure of single-chain polymeric nanoparticles

2014 ◽  
Vol 50 (59) ◽  
pp. 7990-7993 ◽  
Author(s):  
Nobuhiko Hosono ◽  
Anja R. A. Palmans ◽  
E. W. Meijer
Keyword(s):  
Polymeric Nanoparticles ◽  
Triblock Copolymers ◽  
Single Chain ◽  
Folded Structure ◽  
Folding Structure

“Sergeant-and-Soldiers” experiments were performed on single-chain polymeric nanoparticles (SCPNs) with an ABA-type triblock architecture that gives information about the folding structure of the SCPNs.

Facile topological transformation of ABA triblock copolymers into multisite, single-chain-folding and branched multiblock copolymers via sequential click coupling and anthracene chemistry

2021 ◽  
Vol 12 (5) ◽  
pp. 725-735
Author(s):  
Yanzhe He ◽  
Zhigang Wang ◽  
Peng Liu ◽  
Xiangdong Zhou ◽  
Youliang Zhao
Keyword(s):  
Triblock Copolymers ◽  
Multiblock Copolymers ◽  
Single Chain ◽  
Topological Transformation ◽  
Chain Folding ◽  
On Demand ◽  
Click Coupling

Telechelic PtBA-b-PSt-b-PtBA copolymers were designed to achieve on-demand topological transformation into multisite, single-chain-folding and branched multiblock copolymers via click/click-like reactions.

scholarly journals Confined Polymers as Self-Avoiding Random Walks on Restricted Lattices

2018 ◽  
Author(s):  
Javier Benito ◽  
Nikos Ch. Karayiannis ◽  
Manuel Laso
Keyword(s):  
Random Walks ◽  
Approximate Expression ◽  
Polymer Chains ◽  
Face Centered Cubic ◽  
Single Chain ◽  
Confined Geometries ◽  
Confined Polymers ◽  
Ordered Phases ◽  
Face Centered ◽  
Chain Conformations

Polymers in highly confined geometries can display complex morphologies including ordered phases. A basic component of a theoretical analysis of their phase behavior in confined geometries is the knowledge of the number of possible single-chain conformations compatible with the geometrical restrictions and the established crystalline morphology. While the statistical properties of unrestricted self-avoiding random walks (SAWs) both on and off-lattice are very well known, the same is not true for SAWs in confined geometries. The purpose of this contribution is a) to enumerate the number of SAWs on the simple cubic (SC) and face-centered cubic (FCC) lattices under confinement for moderate SAW lengths, and b) to obtain an approximate expression for their behavior as a function of chain length, type of lattice, and degree of confinement. This information is an essential requirement for the understanding and prediction of entropy-driven phase transitions of model polymer chains under confinement. In addition, a simple geometric argument is presented that explains, to first order, the dependence of the number of restricted SAWs on the type of SAW origin.

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