Complex Microstructures of Amphiphilic Diblock Copolymer in Dilute Solution

He, Xuehao; Liang, Haojun; Huang, Lei; Pan, Chen

doi:10.1021/jp0359337

Cited by 78 publications

(118 citation statements)

References 26 publications

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“…Thus from eq (7) The snapshots of dynamics simulations are shown in Figure 2. The observed vesicle formation process is different from the mechanism II, which is observed in the previous thermal equilibrium simulations [17,18] and EPD simulations [24]. First, spherical micelles are formed (Figure 2(a)).…”

Section: Resultscontrasting

confidence: 69%

Density functional simulation of spontaneous formation of vesicle in block copolymer solutions

Uneyama

2007

The Journal of Chemical Physics

112

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We carry out numerical simulations of vesicle formation based on the density functional theory for block copolymer solutions. It is shown by solving the time evolution equations for concentrations that a polymer vesicle is spontaneously formed from the homogeneous state. The vesicle formation mechanism obtained by our simulation agree with the results of other simulations based on the particle models as well as experiments. By changing parameters such as the volume fraction of polymers or the Flory-Huggins interaction parameter between the hydrophobic subchains and solvents, we can obtain the spherical micelles, cylindrical micelles or bilayer structures, too. We also show that the morphological transition dynamics of the micellar structures can be reproduced by controlling the Flory-Huggins interaction parameter.

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Section: Resultscontrasting

confidence: 69%

Density functional simulation of spontaneous formation of vesicle in block copolymer solutions

Uneyama

2007

The Journal of Chemical Physics

112

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“…We see that the input energy by stirring is sufficient to overcome entropy of stretching associated with this morphology transition. Recently, He [21] has simulated the condition of changes one morphology into another. These metastable states strongly depend on the free energy landscapes, which are controlled by experimental condition.…”

Section: Transformation Of Spherical Micelles To Rods Tyre-shaped Anmentioning

confidence: 99%

Multiple Morphologies and Their Transformation of a Polystyrene‐block‐poly(4‐vinylpyridine) Block Copolymer

Liu

Gao

et al. 2006

Macromol. Rapid Commun.

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Summary: We report the multiple morphologies and their transformation of polystyrene‐block‐poly(4‐vinylpyridine) (PS‐b‐P4VP) in low‐alkanol solvents. In order to improve the solubility of polystyrene block in alcohol solvents, the solution of block copolymer sample was treated at a higher temperature, and then the influence of rate of decreasing temperature on multiple morphologies (including spheres, rods, vesicles, porous vesicles, large compound vesicles, and large compound micelles) was observed. The transformation of spheres to rods, to tyre‐shaped large compound micelles, and to sphere‐shaped large compound micelles was also realized. The formation mechanisms of the multiple morphologies and their transformation are discussed briefly.Aggregates of PS‐P4VP formed in butanol by quenching from 110 °C to room temperature.magnified imageAggregates of PS‐P4VP formed in butanol by quenching from 110 °C to room temperature.

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“…14,15 Self-consistent field theory ͑SCFT͒, as a mean-field theory, has been proved to succeed in predicting the equilibrium morphologies of many feature polymer systems, include polymer brushes, 16,17 block copolymer melts, [18][19][20][21][22] and the dilute solutions of block copolymers. [23][24][25][26] Recently, SCFT is applied to study gelation in triblock copolymer solutions. 27 In this work, the phase behavior of PAPS is studied by real-space lattice model SCFT approach.…”

Section: Introductionmentioning

confidence: 99%

Self-consistent field lattice model study on the phase behavior of physically associating polymer solutions

Han

Zhang

2010

The Journal of Chemical Physics

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The phase behavior of physically associating polymer solutions, where the polymer chain contains a small fraction of "stickers" regularly placed along the backbone, is studied using self-consistent field lattice model. Two inhomogenous morphologies are observed. One is a microfluctuation homogenous (MFH) morphology, where the mean-field values of the local average concentrations of polymers phi(P)(r) and stickers phi(st)(r) slightly fluctuate around their respective bulk average values phi(P) and phi(st) and regularly from site to site. The other is a randomly close-packed micelle (RCPM) morphology. The structure of the micelle in RCPM morphology is similar to that of the "flower micelle" in the telechelic associative polymer system, where stickers are located in the core of the micelle and nonsticky groups in the corona. When phi(P) approximately or> 0.08, if homogenous associating polymer solutions are cooled, MFH morphology appears, and the system entirely changes from homogenous solutions (HS) to MFH morphology; If the solutions are cooled further, RCPM morphology appears. When phi(P) < 0.08, however, RCPM morphology appears immediately. If phi(P) < 0.53, a macroscopic phase separation, where the polymer rich phase is RCPM morphology, occurs. If phi(P) approximately or > 0.53, only RCPM morphology is found in the system. A peak appears in the temperature-dependent specific-heat curve C(V)(chi) at each transition point. For the HS-MFH transition, C(V)(chi) has an abrupt increase and a slow decrease, whereas for the MFH-RCPM transition, both the increase and the decrease in C(V)(chi) are slow. Furthermore, the system with only MFH morphology may be trapped in one of the two energy basins in a experimental time scale. However, the appearance of RCPM morphology means that the system is trapped in one of a series of "deeper" energy basins, and it is very difficult to jump off this deep basin into the one of MFH morphology or one of the other RCPM morphologies through thermal fluctuations.

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Complex Microstructures of Amphiphilic Diblock Copolymer in Dilute Solution

Cited by 78 publications

References 26 publications

Density functional simulation of spontaneous formation of vesicle in block copolymer solutions

Density functional simulation of spontaneous formation of vesicle in block copolymer solutions

Multiple Morphologies and Their Transformation of a Polystyrene‐block‐poly(4‐vinylpyridine) Block Copolymer

Self-consistent field lattice model study on the phase behavior of physically associating polymer solutions

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