Modeling diblock copolymer melts with a soft quadrumer model: bulk behavior and directed self-assembly

2013 ◽  
Vol 55 (7) ◽  
pp. 902-910
Author(s):  
Claudine Gross ◽  
Wolfgang Paul
Keyword(s):  
Diblock Copolymer ◽  
Self Assembly ◽  
Copolymer Melts ◽  
Bulk Behavior

scholarly journals Simulation Study of Process-Controlled Supramolecular Block Copolymer Phase Separation with Reversible Reaction Algorithm

Polymers ◽  
2020 ◽  
Vol 12 (3) ◽  
pp. 528
Author(s):  
Jian-Bo Wu ◽  
Hong Liu ◽  
Zhong-Yuan Lu
Keyword(s):  
Diblock Copolymer ◽  
Self Assembly ◽  
Microphase Separation ◽  
Dynamic Properties ◽  
Dissipative Particle Dynamics ◽  
Reversible Reaction ◽  
Stimuli Responsive ◽  
Assembly Mechanism ◽  
Copolymer Melts ◽  
Non Equilibrium

A supramolecular diblock copolymer formed by reversible bonds between the two blocks shows a rich microphase separation behavior and has great application potential in stimuli-responsive materials. We propose a novel method to describe supramolecular reactions in dissipative particle dynamics, which includes a reversible reaction to accurately reproduce the strength, saturation, and dynamic properties of the reversible bonds in the simulations. The thermodynamic properties and dynamic processes of the supramolecular diblock copolymer melts in both equilibrium and non-equilibrium states were studied using this method. The simulation results show that the method can faithfully characterize phase behaviors and dynamic properties of supramolecular diblock copolymer melts, especially in a non-equilibrium state, which provides a novel tool to unveil self-assembly mechanism and describe the properties of supramolecular block copolymers.

scholarly journals Stability of the A15 phase in diblock copolymer melts

2019 ◽  
Vol 116 (27) ◽  
pp. 13194-13199 ◽  
Author(s):  
Morgan W. Bates ◽  
Joshua Lequieu ◽  
Stephanie M. Barbon ◽  
Ronald M. Lewis ◽  
Kris T. Delaney ◽  
...  
Keyword(s):  
Diblock Copolymer ◽  
Self Assembly ◽  
Rational Design ◽  
Mean Field ◽  
Polymer Science ◽  
Disorder Phase Transition ◽  
Copolymer Melts ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Composition Fluctuations

The self-assembly of block polymers into well-ordered nanostructures underpins their utility across fundamental and applied polymer science, yet only a handful of equilibrium morphologies are known with the simplest AB-type materials. Here, we report the discovery of the A15 sphere phase in single-component diblock copolymer melts comprising poly(dodecyl acrylate)−block−poly(lactide). A systematic exploration of phase space revealed that A15 forms across a substantial range of minority lactide block volume fractions (fL = 0.25 − 0.33) situated between the σ-sphere phase and hexagonally close-packed cylinders. Self-consistent field theory rationalizes the thermodynamic stability of A15 as a consequence of extreme conformational asymmetry. The experimentally observed A15−disorder phase transition is not captured using mean-field approximations but instead arises due to composition fluctuations as evidenced by fully fluctuating field-theoretic simulations. This combination of experiments and field-theoretic simulations provides rational design rules that can be used to generate unique, polymer-based mesophases through self-assembly.

Surface segregation in model symmetric polyolefin diblock copolymer melts

1994 ◽  
Vol 4 (12) ◽  
pp. 2231-2248 ◽  
Author(s):  
Mohan Sikka ◽  
Navjot Singh ◽  
Frank S. Bates ◽  
Alamgir Karim ◽  
Sushil Satija ◽  
...  
Keyword(s):  
Diblock Copolymer ◽  
Surface Segregation ◽  
Copolymer Melts

Synthesis of poly(methyl methacrylate)-b-poly(acrylic acid) by DPE method

e-Polymers ◽  
2008 ◽  
Vol 8 (1) ◽  
Author(s):  
Dong Chen ◽  
Ruixue Liu ◽  
Zhifeng Fu ◽  
Yan Shi
Keyword(s):  
Molecular Weight ◽  
Acrylic Acid ◽  
Methyl Methacrylate ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Gel Permeation Chromatography ◽  
Amphiphilic Diblock Copolymer ◽  
Poly Methyl Methacrylate ◽  
Copolymer Poly ◽  
Poly Acrylic Acid

AbstractAmphiphilic diblock copolymer poly(methyl methacrylate)-b-poly(acrylic acid) (PMMA-b-PAA) was prepared by 1,1-diphenylethene (DPE) method. Firstly, free radical polymerization of methyl methacrylate was carried out with AIBN as initiator in the presence of DPE, giving a DPE-containing PMMA precursor with controlled molecular weight. tert-Butyl acrylate (tBA) was then polymerized in the presence of the PMMA precursor, and PMMA-b-PtBA diblock copolymer with controlled molecular weight was prepared. Finally, amphiphilic diblock copolymer PMMA-b-PAA was obtained by hydrolysis of PMMA-b-PtBA. The formation of PMMA-b-PAA was confirmed by 1H NMR spectrum and gel permeation chromatography. Transmission electron microscopy and dynamic light scattering were used to detect the self-assembly behavior of the amphiphilic diblock polymers in methanol.

Inside Front Cover: Self-Assembly of Diblock-Copolymer Micelles for Template-Based Preparation of PbTiO3 Nanograins (Adv. Funct. Mater. 18/2006)

2006 ◽  
Vol 16 (18) ◽  
pp. NA-NA
Author(s):  
S. Kronholz ◽  
S. Rathgeber ◽  
S. Karthäuser ◽  
H. Kohlstedt ◽  
S. Clemens ◽  
...  
Keyword(s):  
Diblock Copolymer ◽  
Self Assembly ◽  
Front Cover ◽  
Copolymer Micelles

Effects of confinement on the order-disorder transition of diblock copolymer melts

2006 ◽  
Vol 124 (14) ◽  
pp. 144902 ◽  
Author(s):  
Bing Miao ◽  
Dadong Yan ◽  
Charles C. Han ◽  
An-Chang Shi
Keyword(s):  
Diblock Copolymer ◽  
Disorder Transition ◽  
Copolymer Melts
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