Self-assembly of linear diblock copolymers in selective solvents: from single micelles to particles with tri-continuous inner structures

Soft Matter ◽  
2020 ◽  
Vol 16 (26) ◽  
pp. 6056-6062 ◽  
Author(s):  
Xianggui Ye ◽  
Bamin Khomami
Keyword(s):  
Diblock Copolymer ◽  
Self Assembly ◽  
Large Scale ◽  
Diblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Selective Solvent ◽  
Selective Solvents

Large-scale dissipative particle dynamics (DPD) simulations have been performed to investigate the self-assembly of over 20 000 linear diblock copolymer chains in a selective solvent.

Simulation study on the assembly of rod-coil diblock copolymers within coil-selective nanoslits

e-Polymers ◽  
2016 ◽  
Vol 16 (4) ◽  
pp. 343-349 ◽  
Author(s):  
Ya-Juan Su ◽  
Ze-Xin Ma ◽  
Jian-Hua Huang
Keyword(s):  
Phase Diagram ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Orientational Order ◽  
Particle Dynamics ◽  
The Self ◽  
Ordered Structures ◽  
Assembly Structure ◽  
Dynamics Simulations

AbstractDissipative particle dynamics simulations are performed to study the self-assembly of rod-coil (RC) diblock copolymers confined in a slit with two coil-selective surfaces. The effect of rod length and slit thickness on the assembly structure is investigated. A morphological phase diagram as a function of slit thickness and rod length is presented. We observe several ordered structures, such as perpendicular cylinders, parallel cylinders, and puck-shaped structure. In the assembly structures, long-range rod-rod orientational order is observed when the rod length exceeds a critical rod length. Our results show that the coil-selective slit influences the assembly structure as well as the rod orientation of RC diblock copolymers.

ORDERED MICROPHASES OF SYMMETRIC DIBLOCK COPOLYMER IN SELECTIVE SOLVENT: DISSIPATIVE PARTICLE DYNAMICS SIMULATION AND RADIAL DISTRIBUTION FUNCTION ANALYSIS

2011 ◽  
Vol 10 (06) ◽  
pp. 731-745 ◽  
Author(s):  
HAINAN SUN ◽  
BAIQING LI ◽  
CHANGQIAO ZHANG ◽  
CHUNLING WANG ◽  
CHENGBU LIU
Keyword(s):  
Distribution Function ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Function Analysis ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Selective Solvent

The self-assembly process of a symmetric diblock copolymer A5B5 in a selective solvent is studied using the dissipative particle dynamics method. Four types of morphologies can form, including lamellae, perforated lamellae, cylinders and spheres. Three phase diagrams are presented to demonstrate the effect of the concentration and interaction parameters on the ordered microstructures. Radial distribution function (RDF) characterizing the spatial correlations of the blocks is calculated. RDF not only confirms the morphological observations, but also provides more quantitative details. The evolution process of hexagonally packed cylinder and lamellae is also illustrated.

scholarly journals Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

2014 ◽  
Vol 50 (61) ◽  
pp. 8306-8308 ◽  
Author(s):  
Xuejin Li ◽  
Yu-Hang Tang ◽  
Haojun Liang ◽  
George Em Karniadakis
Keyword(s):  
Self Assembly ◽  
Large Scale ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Amphiphilic Molecules ◽  
Self Assembled ◽  
Dynamics Simulations ◽  
Confined Environment

GPU-accelerated dissipative particle dynamics has been explored to probe the self-assembly of amphiphilic molecules in a soft confined environment.

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.

The Self-Assembly of an Amphiphilic Block Copolymer: A Dissipative Particle Dynamics Study

2005 ◽  
Vol 42 (3) ◽  
pp. 180-183 ◽  
Author(s):  
S. G. Schulz ◽  
U. Frieske ◽  
H. Kuhn ◽  
G. Schmid ◽  
F. Müller ◽  
...  
Keyword(s):  
Block Copolymer ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Amphiphilic Block Copolymer

A dissipative particle dynamics simulation study on phase diagrams for the self-assembly of amphiphilic hyperbranched multiarm copolymers in various solvents

Soft Matter ◽  
2017 ◽  
Vol 13 (36) ◽  
pp. 6178-6188 ◽  
Author(s):  
Haina Tan ◽  
Chunyang Yu ◽  
Zhongyuan Lu ◽  
Yongfeng Zhou ◽  
Deyue Yan
Keyword(s):  
Phase Diagrams ◽  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Dynamics Simulations ◽  
First Time ◽  
Dissipative Particle Dynamics Simulation

This work discloses for the first time the self-assembly phase diagrams of amphiphilic hyperbranched multiarm copolymers in various solvents by dissipative particle dynamics simulations.

Temperature-Responsive Morphology Formation of PS-b-PI copolymer: A Dissipative Particle Dynamics Simulation Study

Soft Matter ◽  
2021 ◽  
Author(s):  
Natthiti Chiangraeng ◽  
Ukrit Keyen ◽  
Norio Yoshida ◽  
Piyarat Nimmanpipug
Keyword(s):  
Molecular Dynamics ◽  
Simulation Study ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Temperature Responsive ◽  
Classical Molecular Dynamics ◽  
Dissipative Particle Dynamics Simulation

Self-assembly responsiveness to stimuli of polystyrene-block-polyisoprene (PS-b-PI) diblock copolymer materials are explored by means of classical molecular dynamics (MD) and dissipative particle dynamics (DPD) simulations. A concerted relationship between the...

The biphasic effect of ABA triblock copolymers on the self-assembly of surfactants: insight from dissipative particle dynamics

2019 ◽  
Vol 4 (4) ◽  
pp. 921-928 ◽  
Author(s):  
Jiawei Li ◽  
Junfeng Wang ◽  
Qiang Yao ◽  
Yan Zhang ◽  
Youguo Yan ◽  
...  
Keyword(s):  
Self Assembly ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Biphasic Effect

ABA triblock copolymers have been demonstrated to be able to produce a biphasic effect on the self-assembly of surfactants.

scholarly journals Self-assembly of mono- and poly-dispersed nanoparticles on emulsion droplets: antagonistic vs. synergistic effects as a function of particle size

2020 ◽  
Vol 22 (39) ◽  
pp. 22662-22673
Author(s):  
Abeer Khedr ◽  
Alberto Striolo
Keyword(s):  
Particle Size ◽  
Self Assembly ◽  
Synergistic Effects ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Oil Droplet ◽  
Emulsion Droplets ◽  
Dynamics Simulations

In this work, using dissipative particle dynamics simulations, we provide fundamental insights into the self-assembly of nanoparticles (NPs) on oil droplet surfaces.

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