Microphase Separation of Diblock Copolymer Brushes in Selective Solvents: Single-Chain-in-Mean-Field Simulations and Integral Geometry Analysis

2009 ◽  
Vol 42 (6) ◽  
pp. 2251-2264 ◽  
Author(s):  
Jiafang Wang ◽  
Marcus Müller
Keyword(s):  
Diblock Copolymer ◽  
Integral Geometry ◽  
Microphase Separation ◽  
Mean Field ◽  
Single Chain ◽  
Selective Solvents ◽  
Copolymer Brushes ◽  
Geometry Analysis

A Simulated Annealing Study of Diblock Copolymer Brushes in Selective Solvents

2007 ◽  
Vol 40 (14) ◽  
pp. 5161-5170 ◽  
Author(s):  
Yuhua Yin ◽  
Pingchuan Sun ◽  
Baohui Li ◽  
Tiehong Chen ◽  
Qinghua Jin ◽  
...  
Keyword(s):  
Simulated Annealing ◽  
Diblock Copolymer ◽  
Selective Solvents ◽  
Annealing Study ◽  
Copolymer Brushes

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).

Ordered Diblock Copolymer Films on Random Copolymer Brushes

1997 ◽  
Vol 30 (22) ◽  
pp. 6810-6813 ◽  
Author(s):  
P. Mansky ◽  
T. P. Russell ◽  
C. J. Hawker ◽  
M. Pitsikalis ◽  
J. Mays
Keyword(s):  
Diblock Copolymer ◽  
Random Copolymer ◽  
Copolymer Films ◽  
Copolymer Brushes

Single-chain-in-mean-field simulations of weak polyelectrolyte brushes

2016 ◽  
Vol 145 (22) ◽  
pp. 224902 ◽  
Author(s):  
F. Léonforte ◽  
U. Welling ◽  
M. Müller
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Polyelectrolyte Brushes

Integral Geometry Analysis of Fluorescence Micrographs for Quantitative Relative Comparison of Protein Adsorption onto Polymer Surfaces

Langmuir ◽  
2008 ◽  
Vol 24 (18) ◽  
pp. 10253-10258 ◽  
Author(s):  
Joanna Zemła ◽  
Małgorzata Lekka ◽  
Joanna Wiltowska-Zuber ◽  
Andrzej Budkowski ◽  
Jakub Rysz ◽  
...  
Keyword(s):  
Protein Adsorption ◽  
Integral Geometry ◽  
Polymer Surfaces ◽  
Geometry Analysis

Asymmetric diblock copolymers near the microphase separation: limitations of mean field theory

Polymer ◽  
1991 ◽  
Vol 32 (11) ◽  
pp. 1935-1942 ◽  
Author(s):  
B Holzer ◽  
A Lehmann ◽  
B Stühn ◽  
M Kowalski
Keyword(s):  
Field Theory ◽  
Diblock Copolymers ◽  
Microphase Separation ◽  
Mean Field Theory ◽  
Mean Field

Self-Assembled Morphologies of Diblock Copolymer Brushes in Poor Solvents

2012 ◽  
Vol 45 (11) ◽  
pp. 4920-4931 ◽  
Author(s):  
Run Jiang ◽  
Baohui Li ◽  
Zheng Wang ◽  
Yuhua Yin ◽  
An-Chang Shi
Keyword(s):  
Diblock Copolymer ◽  
Self Assembled ◽  
Copolymer Brushes

scholarly journals Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

2014 ◽  
Vol 16 (1) ◽  
pp. 015027 ◽  
Author(s):  
Rudi J A Steenbakkers ◽  
Christos Tzoumanekas ◽  
Ying Li ◽  
Wing Kam Liu ◽  
Martin Kröger ◽  
...  
Keyword(s):  
Mean Field ◽  
Single Chain ◽  
Entangled Polymers ◽  
Mean Field Models
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