Self-association of copolymers with various composition profiles

2010 ◽  
Vol 75 (4) ◽  
pp. 493-505 ◽  
Author(s):  
Jitka Kuldová ◽  
Peter Košovan ◽  
Zuzana Limpouchová ◽  
Karel Procházka ◽  
Oleg V. Borisov
Keyword(s):  
Self Assembly ◽  
Diblock Copolymers ◽  
Monte Carlo Study ◽  
Pair Interaction ◽  
Selective Solvents ◽  
Structure Of Associates ◽  
Association Behavior ◽  
Composition Profiles ◽  
Self Association

In this paper, we present Monte Carlo study of the self-assembly of linear copolymers consisting of two types of segments (well soluble A and insoluble B segments) in selective solvents. We used simple lattice model: chains were represented by self-avoiding random walks and quality of solvent for both types of segments was controlled by pair interaction parameters. We analyzed how the association behavior depends on the composition profile, i.e., on the sequence of segments A and B along the chain. The size and structure of associates formed by chains with different composition profiles were compared with those of diblock copolymers with the same content of A and B segments. It was shown that even small changes in the sequence of segments within the chains lead to significant differences in the association behavior. In addition to composition profiles, we also shown how the association behavior depends on the quality of solvent and copolymer concentration.

Self-assembly of linear diblock copolymers in selective solvents: from single micelles to particles with tri-continuous inner structures

Soft Matter ◽  
2020 ◽  
Vol 16 (26) ◽  
pp. 6056-6062 ◽  
Author(s):  
Xianggui Ye ◽  
Bamin Khomami
Keyword(s):  
Diblock Copolymer ◽  
Self Assembly ◽  
Large Scale ◽  
Diblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Selective Solvent ◽  
Selective Solvents

Large-scale dissipative particle dynamics (DPD) simulations have been performed to investigate the self-assembly of over 20 000 linear diblock copolymer chains in a selective solvent.

1998 E.W.R. Steacie Award Lecture Asymmetric amphiphilic block copolymers in solution: a morphological wonderland

1999 ◽  
Vol 77 (8) ◽  
pp. 1311-1326 ◽  
Author(s):  
Neil S Cameron ◽  
Muriel K Corbierre ◽  
Adi Eisenberg
Keyword(s):  
Self Assembly ◽  
Diblock Copolymers ◽  
Amphiphilic Block Copolymers ◽  
Polymer Composition ◽  
Selective Solvents ◽  
Thermodynamic And Kinetic Parameters ◽  
Amphiphilic Diblock Copolymers ◽  
Systematic Understanding ◽  
Selection Of ◽  
Qualitative Discussion

Asymmetric amphiphilic diblock copolymers self-assemble in selective solvents. Since 1995, when we first reported the systematic preparation of a sequence of various "crew-cut" aggregate morphologies from this class of copolymer in solution (1), we have identified a vast array of structures and have begun a detailed investigation of the thermodynamic and kinetic parameters that induce morphogenesis. Not only spheres, rods, bilayer and bicontinuous architectures, as well as inverted structures are observed, but also a selection of mixed, combined and much more complex aggregates is documented. All of these aggregates have a phase-separated insoluble core and a crew-cut soluble corona. Thus, all parameters that permit selective modification of the component of either phase or of the interface provide a window for morphological control. By carefully adjusting the polymer chain environment, it has been possible to develop a systematic understanding of morphogenic parameters, which include, among others, polymer composition, common solvent, initial concentration, temperature, type and concentration of added ions, method of preparation, and added homopolymer. To date, more than 30 publications have appeared in the literature from our group alone on this subject. One of the problems inherent with such a complicated system is the taxonomy or classification: which morphologies correspond to equilibrium positions and which are intermediate or trapped? An attempt at a logical presentation of the observed aggregates is given, preceded by a qualitative discussion of the thermodynamic framework for this system. Where possible, the transitions between morphologies are explained in the context of the thermodynamic parameters. Finally, parallels are drawn between the copolymer aggregates and biological architectures.Key words: crew-cut, morphology, block copolymer, self-assembly, amphiphile.

scholarly journals Uniform electroactive fibre-like micelle nanowires for organic electronics

2017 ◽  
Vol 8 (1) ◽  
Author(s):  
Xiaoyu Li ◽  
Piotr J. Wolanin ◽  
Liam R. MacFarlane ◽  
Robert L. Harniman ◽  
Jieshu Qian ◽  
...  
Keyword(s):  
Block Copolymers ◽  
Charge Carrier ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
Field Effect Transistors ◽  
Fibre Length ◽  
Charge Carrier Mobility ◽  
Degree Of Polymerization ◽  
Selective Solvents ◽  
The Individual

Abstract Micelles formed by the self-assembly of block copolymers in selective solvents have attracted widespread attention and have uses in a wide variety of fields, whereas applications based on their electronic properties are virtually unexplored. Herein we describe studies of solution-processable, low-dispersity, electroactive fibre-like micelles of controlled length from π-conjugated diblock copolymers containing a crystalline regioregular poly(3-hexylthiophene) core and a solubilizing, amorphous regiosymmetric poly(3-hexylthiophene) or polystyrene corona. Tunnelling atomic force microscopy measurements demonstrate that the individual fibres exhibit appreciable conductivity. The fibres were subsequently incorporated as the active layer in field-effect transistors. The resulting charge carrier mobility strongly depends on both the degree of polymerization of the core-forming block and the fibre length, and is independent of corona composition. The use of uniform, colloidally stable electroactive fibre-like micelles based on common π-conjugated block copolymers highlights their significant potential to provide fundamental insight into charge carrier processes in devices, and to enable future electronic applications.

A Monte Carlo Study of Copolymer Chain Conformations in Dilute Solutions in Good and Selective Solvents

1995 ◽  
Vol 60 (5) ◽  
pp. 736-750
Author(s):  
Tereza Vrbová ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Diblock Copolymers ◽  
Structural Characteristics ◽  
Monte Carlo Study ◽  
Dilute Solutions ◽  
Copolymer Chain ◽  
Selective Solvents ◽  
Nearest Neighbours ◽  
Lattice Distance ◽  
Chain Conformations

Conformations of symmetric diblock copolymers AB in dilute solutions in good and selective solvents were studied by Monte Carlo simulations on a simple cubic lattice. Individual chain conformations were created by the self-avoiding walk algorithm. A modified thermal equilibration of the system based on the Metropolis acceptance criteria for energies of the system and the Rosenbluth weights of chain conformations was applied. Interactions of the nearest neighbours (r = l), where l is the lattice distance, and interactions for r = sqrt(2l) and r = sqrt(3l) were considered. Various structural characteristics of the whole copolymer chain and individual blocks A, B were obtained in the course of computer simulations. It was found that a moderate contraction of the worse soluble block B and a certain segregation of blocks occurs in dilute solutions in selective solvents for the block A, however neither that contraction, nor the segregation of blocks are extensive.

Monte Carlo Study of Symmetric Diblock Copolymers in Selective Solvents

1995 ◽  
Vol 28 (8) ◽  
pp. 2705-2713 ◽  
Author(s):  
Luis A. Molina ◽  
Juan J. Freire
Keyword(s):  
Monte Carlo ◽  
Diblock Copolymers ◽  
Monte Carlo Study ◽  
Selective Solvents

Self-Assembly of Heteroarm Star Copolymers Studied by Lattice Monte Carlo Simulation

2008 ◽  
Vol 73 (3) ◽  
pp. 358-371 ◽  
Author(s):  
Jitka Havránková ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
The Self ◽  
Lattice Monte Carlo ◽  
Selective Solvents ◽  
Simple Cubic ◽  
Star Copolymers ◽  
Association Behavior ◽  
Recognition Criterion ◽  
Self Avoiding Walks

Results of lattice Monte Carlo simulations on the self-assembly of heteroarm star copolymers in strongly selective solvents (athermal for A arms and considerably bad for B arms) are presented. The arms are modeled as the self-avoiding walks on a simple cubic lattice tethered to the point. A modified simulation algorithm and an improved recognition criterion of associated structures developed in our previous study are used. The paper is a continuation of our systematic study of heteroarm star copolymers and focuses on the effect of the ratio of numbers of soluble to insoluble arms and the distribution of A and B segments in short or long arms on the self-assembly. It confirms the predictable effect of the soluble-to-insoluble arm number ratio on the association behavior. Nevertheless, the comparison of results for different architectures with the same numbers of soluble and insoluble segments, but different lengths of soluble and insoluble arms shows a strong effect of the distribution of A and B segments in different arms.

Cylindrical Micelles from the Self-Assembly of Polyacrylonitrile-Based Diblock Copolymers in Nonpolar Selective Solvents

2008 ◽  
Vol 29 (4) ◽  
pp. 352-357 ◽  
Author(s):  
Massimo Lazzari ◽  
Dominique Scalarone ◽  
Carlos Vazquez-Vazquez ◽  
M. Arturo López-Quintela
Keyword(s):  
Self Assembly ◽  
Diblock Copolymers ◽  
The Self ◽  
Selective Solvents ◽  
Cylindrical Micelles
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