Modeling and analysis of the compatibility of poly(ethylene oxide)/poly(methyl methacrylate) blends with surface and shear inducing effects

Mu, Dan; Qu, Yi; Wang, Song

doi:10.1002/app.33820

Cited by 13 publications

(12 citation statements)

References 26 publications

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“…Mesoscopic dynamics models are receiving increasing attention, as they form a bridge between microscale and macroscale properties . As a useful simulation technique for fluids, MesoDyn has been successfully applied to study the microphase separation of block copolymers in our previous studies …”

Section: Simulation Methodsmentioning

confidence: 99%

MesoDyn modeling study of the phase morphologies of miktoarm poly(ethylene oxide)-b -poly(methyl methacrylate) copolymers doped with nanoparticles

Feng

2013

Polym. Int.

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Earlier studies have shown that poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) blocks are compatible at 270 and 298 K, and that their Flory-Huggins interaction parameters have the same blending ratio dependence at both temperatures. At a much higher temperature (400 K), the behavior of PEO/PMMA blends is strikingly different as both components become incompatible, while the Flory-Huggins parameters are low. Here we investigate the effect of doping with nanoparticles on the degree of incompatibility of twelve miktoarm PEO-b-PMMA copolymers at 400 K. Since PEO tends to be semicrystalline and long chains aggregate easily, PEO-rich and long-chain copolymer blends feature the highest degree of incompatibility for all nanoparticle arrangements and present cubic phase morphologies. In addition, the largest nanoparticles can reinforce the microscopic phase separation of all PEO-b-PMMA copolymers. This shows that the main factor affecting the phase morphology is the size of the nanoparticles. Also, only the asymmetric Da3-type PEO-rich copolymers show a hexagonal cylindrical phase morphology, which illustrates the effect induced by the nanoparticles on the microscopic phase separation changes of the PEO-b-PMMA copolymers. These induced effects are also related to the composition and molecular architecture of the copolymers.

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Section: Simulation Methodsmentioning

confidence: 99%

MesoDyn modeling study of the phase morphologies of miktoarm poly(ethylene oxide)-b -poly(methyl methacrylate) copolymers doped with nanoparticles

Feng

2013

Polym. Int.

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“…The primary advantage of this method is that there are no a priori assumptions for the phases or phase formation kinetics 49 . The MesoDyn method has been successfully employed to study phase separation 50 , 51 , phase transition 52 and self-assembly structures resulting from nanoparticle doping 53 , 54 , or induced by surfaces 8 , 30 . Though pioneering and early studies of block copolymers in thin films were done by G. J.…”

Section: Coarse-grained Model and Parameter Settingsmentioning

confidence: 99%

“…A wide range of high-performance and functional block copolymer materials have been applied for use in electronics 3 , photonics 4 , biomaterials 5 and so on. To improve the material properties or to achieve the required device functionality, some methodologies have been utilized to control the orientation of block copolymer materials, including the introduction of external fields 6 , 7 , shear 8 , 9 , solvent annealing 10 , solvent 11 , 12 , thermal annealing 13 , and patterned substrates 14 – 26 . Among these approaches, spatial confinement provides a powerful and efficient method for the fabrication of ordered morphologies, which inspired us to explore the effect and mechanism of confinements with different acting distances and influencing areas on the self-assembly structure.…”

Section: Introductionmentioning

confidence: 99%

One-dimensional Confinement Effect on the Self-assembly of Symmetric H-shaped Copolymers in a Thin Film

Feng

2017

Sci Rep

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The self-assembly of a reformed symmetric H-shaped copolymer with four hydrophilic branches and one hydrophobic stem was systematically investigated. The existence of vacancies is vital to regulate the sizes of self-assembled cylinders to be able to form a hexagonal arrangement. With the introduction of horizontal-orientated confinement, a micellar structure is formed through a coalescence mechanism. The short acting distance and large influencing area of the confinement produces numerous small-sized micelles. Additionally, the cycled “contraction-expansion” change helps achieve hexagonal arrangement. In contrast, the introduction of lateral-oriented confinement with long acting distance and small influencing area cannot change the cylindrical structure. Under the fission mechanism, in which the larger cylinder splits into smaller ones, it is quite efficient to generate hierarchical-sized cylinders from larger-sized cylinders in the middle region and smaller-sized cylinders near both walls. The results indicate the possibility of regulating the characteristics of a nanomaterial by tuning the molecular structure of the copolymer and the parameters of the introduced confinement, which are closely related to the self-assembly structure.

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“…When the free energy exhibits no distinct changes with the evolution of time, the phase separation can be considered complete. As a useful simulation technique for fluids, MesoDyn has been successfully applied to study the phase morphology and separation of polymer blends and block copolymers in our previous research [18][19][20][21][22][23].…”

Section: Introductionmentioning

confidence: 99%

Changes in the phase morphology of miktoarm PS-b-PMMA copolymer induced by a monolayer surface

Wang

2015

Colloid Polym Sci

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It is known that polystyrene (PS) and poly(methyl methacrylate) (PMMA) blocks are immiscible at 383, 413, and 443 K and that their Flory-Huggins interaction parameters have the same blending ratio dependence at those temperatures. In this study, the phase morphologies of six groups of 12 miktoarm PS-b-PMMA copolymers were investigated at 383, 413, and 443 K via MesoDyn simulations. There is nearly no change for the same copolymer under different temperatures. We designed four series of patterned surfaces (18 total) and found that the inducing effect of these surfaces has some influence on the microscopic phase morphology of the polymers, including a reinforcing immiscible effect and a weakening immiscible effect. The degree of phase separation depended on the molecular architecture of the block copolymers, temperature, and the characteristics of the inducing surfaces. Higher temperature and higher PS-rich component copolymers exhibited higher order parameters. The co-4432 and co-8832 surfaces exhibited the most intensive inducing effect because of their 16 and 32 independent micro-environments, respectively. A set of comparative simulations was carried out with a high interaction energy between the polymeric species. The results confirmed the possibility of forming a hexagonal columnar phase with a core shell composed of the designed molecular structures as well as demonstrated the potential application of micro-environments in producing special mesoscopic structures.

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Modeling and analysis of the compatibility of poly(ethylene oxide)/poly(methyl methacrylate) blends with surface and shear inducing effects

Cited by 13 publications

References 26 publications

MesoDyn modeling study of the phase morphologies of miktoarm poly(ethylene oxide)-b -poly(methyl methacrylate) copolymers doped with nanoparticles

MesoDyn modeling study of the phase morphologies of miktoarm poly(ethylene oxide)-b -poly(methyl methacrylate) copolymers doped with nanoparticles

One-dimensional Confinement Effect on the Self-assembly of Symmetric H-shaped Copolymers in a Thin Film

Changes in the phase morphology of miktoarm PS-b-PMMA copolymer induced by a monolayer surface

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