Dissipative Particle Dynamics Simulations of the Self-assembly Mechanisms of Fluorinated Ordered Mesoporous Carbon in the Aqueous Phase

2019 ◽  
Vol 25 (5) ◽  
pp. 559-566
Author(s):  
Na Sun ◽  
Minhua Zhang ◽  
Xiuqin Dong ◽  
Lingtao Wang
Keyword(s):  
Aqueous Phase ◽  
Self Assembly ◽  
Mesoporous Carbon ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Ordered Mesoporous Carbon ◽  
The Self ◽  
Ordered Mesoporous ◽  
Dynamics Simulations

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.

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.

Dissipative particle dynamics simulation study on self-assembly of amphiphilic hyperbranched multiarm copolymers with different degrees of branching

Soft Matter ◽  
2015 ◽  
Vol 11 (43) ◽  
pp. 8460-8470 ◽  
Author(s):  
Haina Tan ◽  
Wei Wang ◽  
Chunyang Yu ◽  
Yongfeng Zhou ◽  
Zhongyuan Lu ◽  
...  
Keyword(s):  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Hyperbranched Polymers ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Degree Of Branching ◽  
Dynamics Simulations ◽  
Dissipative Particle Dynamics Simulation

This work demonstrates the effect of degree of branching on the self-assembly of amphiphilic hyperbranched polymers by dissipative particle dynamics simulations.

Self-assembly of block copolymers on lithographically patterned template with ordered posts

2015 ◽  
Vol 17 (47) ◽  
pp. 31830-31838 ◽  
Author(s):  
Dan Xu ◽  
Hong Liu ◽  
Yao-Hong Xue ◽  
Yan-Bo Sun
Keyword(s):  
Block Copolymers ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulations

Dissipative particle dynamics simulations are employed to study the self-assembly of block copolymers on a template modified with ordered posts.

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.

The effect of compressed CO2 on the self-assembly of surfactants for facile preparation of ordered mesoporous carbon materials

Soft Matter ◽  
2017 ◽  
Vol 13 (41) ◽  
pp. 7505-7513 ◽  
Author(s):  
Xin Huang ◽  
Wei Li ◽  
Shuang Li ◽  
Cheng Wang ◽  
Mengnan Zhang ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Self Assembly ◽  
Mesoporous Carbon ◽  
Carbon Materials ◽  
Ordered Mesoporous Carbon ◽  
The Self ◽  
Ordered Mesoporous ◽  
Facile Preparation ◽  
Mesoporous Carbon Materials

The effect of compressed CO2 on the properties of OMC was investigated based on the self-assembly of surfactants in aqueous solution.

Solution self-assembly behavior of rod-alt-coil alternating copolymers via simulations

2019 ◽  
Vol 21 (45) ◽  
pp. 25148-25157 ◽  
Author(s):  
Shanlong Li ◽  
Ke Li ◽  
Qingsong Xu ◽  
Yuling Wang ◽  
Chunyang Yu ◽  
...  
Keyword(s):  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Alternating Copolymers ◽  
Assembly Behavior ◽  
Dynamics Simulations

The self-assembly behaviors of rod-alt-coil alternating copolymers were systematically investigated by employing dissipative particle dynamics simulations.

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.

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.

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