Micelle formation, gelation and phase separation of amphiphilic multiblock copolymers†

Hugouvieux, Virginie; Axelos, Monique; Kolb, M.

doi:10.1039/c0sm01018a

Cited by 31 publications

(45 citation statements)

References 50 publications

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“…Note that for a concentration of 2% at ε i = −0.51 the simulated system is below the cmc, while it is above the cmc at ε i = −0.55. 13 For the lower value of the monomer−monomer interaction no bulk or connected cores are observed: The corresponding W(N H c ) distributions show a steep and monotonous decrease. However, the formation of adsorbed cores appears as an incipient shoulder in the distribution around 20 H monomers, which becomes more pronounced when increasing the monomer−surface interaction.…”

Section: ■ Resultsmentioning

confidence: 94%

“…9 In more concentrated solutions (for φ between 0.5% and 25%), we gave evidence for the formation of different types of micelles and gels depending on the substitution rate of the copolymers. The present study focuses on the behavior of a solution of copolymers in contact with a surface, either Figure 1 shows two snapshots of a typical configuration of a system above the bulk critical micelle concentration (for the concentration shown, the cmc occurs between ε i = −0.51 and −0.52, as determined previously 13 ) and in the presence of a strongly attractive surface. The top snapshot shows the whole system perpendicularly to the surface (side view, the attractive surface is at the bottom, the noninteracting one at the top) while the bottom snapshot is taken parallel to the attractive surface and only shows the three layers neighboring the attractive surface.…”

Section: ■ Resultsmentioning

confidence: 99%

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Multiblock Copolymer Solutions in Contact with a Surface: Self-Assembly, Adsorption, and Percolation

Hugouvieux

Kolb

2014

Langmuir

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Amphiphilic copolymers are often used as compatibilizing or stabilizing agents, either in solution or at surfaces. In the special case of multiblock copolymers the connectivity of the blocks combines with the antagonistic behavior of the different types of blocks. Here we report on the behavior of solutions of amphiphilic multiblock copolymers with a large number of blocks and a low fraction of solvophobic monomers in contact with an attractive surface. Using lattice Monte Carlo simulations, the influence on the structures of the solvent quality and the type of surface from noninteracting to strongly attractive to the solvophobic monomers can be assessed. In the presence of a surface bulk micelles are formed that are not different in size and shape from the micelles observed in the absence of a surface. When increasing the surface attraction, solvophobic monomers tend to adsorb either as isolated blocks or forming surface micelles. Evidence is given of a surface concentration threshold above which surface micelles can form due to microphase separation. These surface micelles are in equilibrium with bulk micelles, some of which are connected to the surface through a path of either hydrophobic and/or hydrophilic blocks or hydrophobic cross-links, or both. The size distributions of bulk and connected micelles are similar. With increasing surface concentration surface micelles get organized due to the steric repulsion between core-shell surface micelles. Moreover, these organized surface micelles percolate. The connected micelles form a concentrated layer parallel to the attractive surface. In addition, these systems are governed by two very different time scales: The fast one leads to micellar self-assembly in the bulk and at the surface while the slow one prevents the system from reaching equilibrium in the course of the simulations and corresponds to the transfer of copolymers from the bulk to the attractive surface.

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Section: ■ Resultsmentioning

confidence: 94%

Section: ■ Resultsmentioning

confidence: 99%

Multiblock Copolymer Solutions in Contact with a Surface: Self-Assembly, Adsorption, and Percolation

Hugouvieux

Kolb

2014

Langmuir

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“…[ 47,48 ] Contrary to above-mentioned works, we focus on coarse-grained models of heterpolymer chains consisting of two types of beads. Studies of the percolation in heteropolymer systems have recently been carried out [ 55,56 ] in the case of the 3D multiblock amphiphilic chains and in strictly 2D systems. [ 57 ] The present work is an extension of the previous studies where we focused on a dense polymer melt containing chains only without any solvent molecules.…”

Section: Macromolecular Theory and Simulationsmentioning

confidence: 99%

Percolation in Two‐Dimensional Copolymer‐Solvent Systems

Kuriata

Polanowski²,

Sikorski

2016

Macro Theory & Simulations

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In this work, the structure of a strictly 2D dense polymer film for some model copolymer systems: diblock, triblock, and random copolymers is studied. An idealized model of these macromolecular systems is developed where positions of polymer beads are restricted to vertices of a simple cubic lattice and chains are under good solvent conditions (the excluded volume is the only interaction between beads of the chain and solvent molecules). The properties of the system are determined by means of Monte Carlo simulations with a sampling algorithm based on chain's local cooperative changes of conformation. Scaling of the chain size is studied and the influence of the polymer concentration on the chain's size and shape is discussed. The differences and similarities in the behavior of the percolation thresholds of one component in chains with different bead sequences are also shown and discussed. The percolation threshold is found to be weakly dependent on the chain length and more sensitive to the total polymer concentration.

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“…Furthermore, the arrangement of the PPO and PEO blocks in the chain is the key factor affecting self-aggregation and phase behavior of these copolymers, which are well documented in literature [3][4][5][6][7][8]. The temperature induced aggregation behavior of triblock copolymers in aqueous solutions has received great attention during the recent decades due to their fundamental and practical importance [3,[5][6][7][8][9]. Compared with experimental studies, however, related theoretical studies are few, especially to account for the effect of chain architecture.…”

Section: Introductionmentioning

confidence: 99%

Self-consistent field theoretic simulations of amphiphilic triblock copolymer solutions: Polymer concentration and chain length effects

Han¹,

Ma²

2014

Condens. Matter Phys.

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Using the self-consistent field lattice model, polymer concentrationφ P and chain length N (keeping the length ratio of hydrophobic to hydrophilic blocks constant) the effects on temperature-dependent behavior of micelles are studied, in amphiphilic symmetric ABA triblock copolymer solutions. When chain length is increased, at fixedφ P , micelles occur at higher temperature. The variations of average volume fraction of stickersφ s co and the lattice site numbers N ls co at the micellar cores with temperature are dependent on N andφ P , which demonstrates that the aggregation of micelles depends on N andφ P . Moreover, whenφ P is increased, firstly a peak appears on the curve of specific heat C V for unimer-micelle transition, and then in addition a primary peak, the secondary peak, which results from the remicellization, is observed on the curve of C V . For a long chain, in intermediate and high concentration regimes, the shape of specific heat peak markedly changes, and the peak tends to be a more broad peak. Finally, the aggregation behavior of micelles is explained by the aggregation way of amphiphilic triblock copolymer. The obtained results are helpful in understanding the micellar aggregation process.

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Micelle formation, gelation and phase separation of amphiphilic multiblock copolymers†

Cited by 31 publications

References 50 publications

Multiblock Copolymer Solutions in Contact with a Surface: Self-Assembly, Adsorption, and Percolation

Multiblock Copolymer Solutions in Contact with a Surface: Self-Assembly, Adsorption, and Percolation

Percolation in Two‐Dimensional Copolymer‐Solvent Systems

Self-consistent field theoretic simulations of amphiphilic triblock copolymer solutions: Polymer concentration and chain length effects

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