Dissipative particle dynamics simulations of the morphologies and dynamics of linear ABC triblock copolymers in solutions

RSC Advances ◽  
2015 ◽  
Vol 5 (71) ◽  
pp. 58024-58031 ◽  
Author(s):  
Chun Zhou ◽  
Honggang Xia ◽  
Yang Zhou ◽  
Xianggui Xue ◽  
Shikai Luo
Keyword(s):  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Abc Triblock Copolymers ◽  
Dynamics Simulations ◽  
Multicompartment Micelles

Due to the great potential in the field of multifunctional nanoreactors and carriers, several previous works have shown the interesting morphologies of multicompartment micelles from simple linear ABC triblock copolymers in solutions.

Dissipative particle dynamics simulation on the self-assembly of linear ABC triblock copolymers under rigid spherical confinements

e-Polymers ◽  
2017 ◽  
Vol 17 (4) ◽  
pp. 321-331 ◽  
Author(s):  
Xiaoqiang Liu ◽  
Chun Zhou ◽  
Honggang Xia ◽  
Yang Zhou ◽  
Weidong Jiang
Keyword(s):  
Self Assembly ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Block Sequence ◽  
Abc Triblock Copolymers ◽  
Dynamics Simulations ◽  
Dissipative Particle Dynamics Simulation

AbstractAlthough a great deal of unique nanostructures were already obtained from polymer self-assemblies in terms of conventional parameters, the self-assembly under the confinement is still not well understood. Here, dissipative particle dynamics simulations were used to explore the self-assemble behaviors of linear ABC triblock copolymers under rigid spherical confinements. First several unusual morphologies, such as multilayer onion, coupled helix, and stacked lamella, were distinguished from the total 210 simulations. Second, the influences of three important parameters (block sequence, wall selectivity, and spherical radius) on the morphologies were discussed in detail. Finally, the dynamics evolution of several typical aggregates was examined. This simulation enriches micelle morphologies for the self-assembly of linear ABC triblock copolymers under rigid spherical confinements and is helpful to understand the formation of valuable nanostructures from linear ABC terpolymers.

A DISSIPATIVE PARTICLE DYNAMICS STUDY ON THE MORPHOLOGIES OF H-SHAPED BLOCK COPOLYMERS IN SOLVENT

2011 ◽  
Vol 25 (06) ◽  
pp. 843-850
Author(s):  
XI SHAO ◽  
KAI YANG ◽  
YU-QIANG MA
Keyword(s):  
Block Copolymers ◽  
Self Assembly ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Selective Solvent ◽  
Convenient Approach ◽  
Multicompartment Micelles ◽  
Dynamics Method

Multicompartment micelles have advanced applications in biological and pharmaceutical fields. The self-assembly of the block copolymers with different chain architectures provides versatile and powerful routes to obtain multicompartment micelles in water. Here we apply the dissipative particle dynamics method to study the self-assembly of H-shaped triblock copolymers in a selective solvent. It is found that the H-shaped triblock copolymers can form micelles with different morphologies, such as worm-like micelles, hamburger micelles, core-shell-corona micelles, and cylinder micelles, etc. Among them, the cylinder micelles have not been reported before in the case of the copolymers with similar chain architecture (e.g., Y-shaped copolymer). We demonstrate a convenient approach to obtain different morphologies by only adjusting the arrangement of the copolymers' blocks. These results may be helpful for the design of multicompartment micelles for various application purposes.

scholarly journals Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1516
Author(s):  
Dongmei Liu ◽  
Kai Gong ◽  
Ye Lin ◽  
Tao Liu ◽  
Yu Liu ◽  
...  
Keyword(s):  
Interfacial Tension ◽  
Chain Length ◽  
Triblock Copolymer ◽  
Diblock Copolymers ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Interfacial Properties ◽  
Particle Dynamics ◽  
Polymeric Blends ◽  
Polymer Component

We investigated the interfacial properties of symmetric ternary An/AmBm/Bn and An/Am/2BmAm/2/Bn polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters.

Coarse-Graining of Chain Models in Dissipative Particle Dynamics Simulations†

2011 ◽  
Vol 50 (1) ◽  
pp. 69-77 ◽  
Author(s):  
Justin R. Spaeth ◽  
Todd Dale ◽  
Ioannis G. Kevrekidis ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Dissipative Particle Dynamics ◽  
Coarse Graining ◽  
Particle Dynamics ◽  
Dynamics Simulations
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