Layered structure in compatible binary polymer brushes with high graft density: A computer simulation study

Xue, Yao-Hong; Li, Hong; Lu, Zhong‐Yuan; Liang, Xu

doi:10.1063/1.3299730

Cited by 22 publications

(19 citation statements)

References 70 publications

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“…DPD is adopted because it was proved to be a powerful tool in the studies of structure formation in grafted polymer systems. 36,37 We explore the effect of solvent quality and the incompatibility between the two blocks on lateral separation of grafted Y-shaped copolymers at condition of different grafting densities. We find that solvent quality influences the power law behavior between the polymer layer thickness (h layer ) and the grafting density (σ ).…”

Section: Introductionmentioning

confidence: 99%

The structures of thin layer formed by microphase separation of grafted Y-shaped block copolymers in solutions

Gao

et al. 2013

The Journal of Chemical Physics

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We study the structure formation of grafted Y-shaped block copolymers in solutions via dissipative particle dynamics simulations. We systematically examine how the solvent quality, the grafting density, and the incompatibility between polymer blocks affect the morphology of the grafted layer. The layer thickness and the lateral domain size and inhomogeneity of the layer structures are analyzed. A power law, hlayer ~ σ(n), is found between the layer thickness (hlayer) and the grafting density (σ), which shows three regimes, i.e., the brushes regime, the crossover regime, and the mushrooms regime. In the brushes regime, we also find that the exponent n is dependent on the grafting densities and solvent conditions, regardless of the incompatibility between the polymer blocks. In the mushrooms and the crossover regime, a variety of surface structures can be observed, such as mixed micelles, internally segregated micelles, hamburger micelles, segmented wormlike micelles, and dumbbell micelles. The stripe-like structure formed in the brushes regime is investigated in detail. The simulation results are in good agreement with theoretical predictions and experimental observations, and can be helpful for the surface structure design of functional materials.

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Section: Introductionmentioning

confidence: 99%

The structures of thin layer formed by microphase separation of grafted Y-shaped block copolymers in solutions

Gao

et al. 2013

The Journal of Chemical Physics

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“…The latter have been mainly based on the dissipative particle dynamics (DPD). [33][34][35][36][37][38][39][40][41][42][43][44][45] DPD is a mesoscopic simulation technique that uses beads which do not represent actual molecules but rather groups of molecules, or alternatively, they can be thought of as fluid packets.…”

Section: Introductionmentioning

confidence: 99%

Nanostructures in a binary mixture confined in slit-like pores with walls decorated with tethered polymer brushes in the form of stripes: Dissipative particle dynamics study

Ilnytskyi

Patsahan

Sokołowski

2011

The Journal of Chemical Physics

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Using dissipative particle dynamics, we investigate the behavior of a binary mixture, exhibiting demixing in a bulk phase, confined in slit-like pores with walls modified by the stripes of tethered brush of chains. Our main interest is to determine possible morphologies that can be formed inside the pore, depending on the geometrical parameters characterizing the system (the size of the pore and the width of the stripes). In order to describe the observed morphologies we calculate several characteristics, as the density and local temperature profiles, the radii of gyration for the attached polymers, and the minimum polymer-polymer distances in the direction parallel and perpendicular to the pore walls. The summary of our findings is presented as a sketch of the diagram of morphologies.

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“…Different from the field‐theoretical methods mentioned above, computer simulations take into account the interactions between the basic elements directly. In recent years, the simulation methods which are used in polymer brush systems include MC simulations, molecular dynamics (MD) simulations, coarse‐grained particle simulations, such as Langevin dynamics, Brownian dynamics (BD), and dissipative particle dynamics (DPD) …”

Section: Binary Polymer Brushes On Flat Substrates: Methodology and Cmentioning

confidence: 99%

“…When the mixed brushes are immersed in a selective solvent, even compatible or weak incompatible components will experience a phase separation. Xue et al employed DPD simulations to investigate the layered structure in mixed polymer brushes with compatible components in the cases of different chain lengths. The “phase‐separation‐like” behavior of compatible binary brushes, which is induced by the chain length difference, can be reversed by slightly changing the solvent selectivity.…”

Section: Binary Polymer Brushes On Flat Substrates: Methodology and Cmentioning

confidence: 99%

Binary hairy nanoparticles: Recent progress in theory and simulations

Chen

Tang

Qiu

2014

J Polym Sci B Polym Phys

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Binary polymer brushes, including mixed homopolymer brushes and diblock copolymer brushes, are an attractive class of environmentally responsive nanostructured materials. Owing to microphase separation of the two chemically distinct components in the brush, multifaceted nanomaterials with functionalized and patterned surfaces can be obtained. This review summarizes recent progress on the theory and simulations related to binary polymer brushes grafted to flat, spherical, and cylindrical substrates, with a focus on patterned morphologies of multifaceted hairy nanoparticles, an intriguing class of hybrid nanostructured particles (e.g., nanospheres and nanorods). In particular, powerful field theory and particlebased simulations suitable for revealing novel structures on these patterned surfaces, including self-consistent field theory and dissipative particle dynamics simulations, are emphasized.The unsolved yet critical issues in this research field, such as dynamic response of binary polymer brushes to environmental stimuli and the hierarchical self-assembly of binary hairy nanoparticles, are briefly discussed.

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Layered structure in compatible binary polymer brushes with high graft density: A computer simulation study

Cited by 22 publications

References 70 publications

The structures of thin layer formed by microphase separation of grafted Y-shaped block copolymers in solutions

The structures of thin layer formed by microphase separation of grafted Y-shaped block copolymers in solutions

Nanostructures in a binary mixture confined in slit-like pores with walls decorated with tethered polymer brushes in the form of stripes: Dissipative particle dynamics study

Binary hairy nanoparticles: Recent progress in theory and simulations

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