scholarly journals Polymer Brush in a Nanopore: Effects of Solvent Strength and Macromolecular Architecture Studied by Self-Consistent Field and Scaling Theory

Polymers ◽  
2021 ◽  
Vol 13 (22) ◽  
pp. 3929
Author(s):  
Mikhail Y. Laktionov ◽  
Ekaterina B. Zhulina ◽  
Ralf P. Richter ◽  
Oleg V. Borisov
Keyword(s):  
Pore Radius ◽  
Conformational Transition ◽  
Polymer Brush ◽  
Consistent Field ◽  
Cylindrical Pores ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Solvent Strength ◽  
Macromolecular Architecture ◽  
Poor Solvent

To study conformational transition occuring upon inferior solvent strength in a brush formed by linear or dendritically branched macromolecules tethered to the inner surface of cylindrical or planar (slit-like) pore, a self-consistent field analytical approach is employed. Variations in the internal brush structure as a function of variable solvent strength and pore radius, and the onset of formation of a hollow channel in the pore center are analysed. The predictions of analytical theory are supported and complemented by numerical modelling by a self-consistent field Scheutjens–Fleer method. Scaling arguments are used to study microphase segregation under poor solvent conditions leading to formation of a laterally and longitudinally patterned structure in planar and cylindrical pores, respectively, and the effects of confinement on "octopus-like" clusters in the pores of different geometries.

Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush

Soft Matter ◽  
2011 ◽  
Vol 7 (19) ◽  
pp. 8776 ◽  
Author(s):  
Su-Mi Hur ◽  
Amalie L. Frischknecht ◽  
Dale L. Huber ◽  
Glenn H. Fredrickson
Keyword(s):  
Polymer Brush ◽  
Directed Assembly ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Critical adsorption of a single macromolecule in polymer brushes

Soft Matter ◽  
2014 ◽  
Vol 10 (32) ◽  
pp. 5974-5990 ◽  
Author(s):  
Andrey Milchev ◽  
Sergei A. Egorov ◽  
Kurt Binder
Keyword(s):  
Polymer Brushes ◽  
Density Functional ◽  
Polymer Brush ◽  
Field Theories ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Coated Surfaces ◽  
Dynamics Simulations ◽  
Single Macromolecule

The adsorption of long flexible macromolecules by polymer brush-coated surfaces is studied by molecular dynamics simulations and by calculations using density functional and self-consistent field theories.

Effects of cosolvent partitioning on conformational transitions and tethered chain flexibility in spherical polymer brush

Soft Matter ◽  
2021 ◽  
Author(s):  
Peng Wei Zhu
Keyword(s):  
Polymer Brush ◽  
Conformational Transitions ◽  
Chain Flexibility ◽  
Preferential Adsorption ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Tethered Chain ◽  
Scf Theory

In this work, based on the framework of preferential adsorption concept and analytical self-consistent field (SCF) theory, a model is proposed to investigate the reentrant transition experimentally observed from the...

Amphiphilic Polymer Brush in a Mixture of Incompatible Liquids. Numerical Self-Consistent-Field Calculations

2000 ◽  
Vol 33 (3) ◽  
pp. 1072-1081 ◽  
Author(s):  
A. A. Mercurieva ◽  
F. A. M. Leermakers ◽  
T. M. Birshtein ◽  
G. J. Fleer ◽  
E. B. Zhulina
Keyword(s):  
Polymer Brush ◽  
Amphiphilic Polymer ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Tailoring the Structure of Polymer Brushes Through Copolymer Architecture

1995 ◽  
Vol 385 ◽  
Author(s):  
Dilip Gersappe ◽  
Michael Fasolka ◽  
Rafel Israels ◽  
Anna C. Balazs
Keyword(s):  
Monte Carlo ◽  
Computer Simulations ◽  
Solid Surface ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Sequence Distribution ◽  
Size And Shape ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

ABSTRACTPolymers tethered by one end onto a solid surface are referred to as polymer “brushes”. We consider brushes composed of copolymers that contain both A and B monomers. The A monomers are compatible with the surrounding solvent, while the B sites are solventincompatible. The solvent incompatibility causes the B sites to associate into domains or clusters within the layer. We use Monte Carlo computer simulations and self-consistent field calculations to determine the effect of copolymer architecture on the structure of the polymer brush. In particular, we alter the copolymer sequence distribution (the arrangement of the A and B monomers along the length of the chain) and determine how both the vertical and lateral morphology of the brush are effected by these variations. The results provide guidelines for controlling the size and shape of the B domains, and consequently, the morphology of the tethered layer.

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