Effect of Polydispersity on the Self-Assembly Structure of Diblock Copolymers under Various Confined States: A Monte Carlo Study

2008 ◽  
Vol 41 (16) ◽  
pp. 6239-6245 ◽  
Author(s):  
Yuanyuan Han ◽  
Jie Cui ◽  
Wei Jiang
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
Monte Carlo Study ◽  
The Self ◽  
Assembly Structure

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.

scholarly journals A Monte Carlo Study of the Self-Assembly of Bacteriorhodopsin

2002 ◽  
Vol 83 (4) ◽  
pp. 1902-1916 ◽  
Author(s):  
Kamakshi Jagannathan ◽  
Rakwoo Chang ◽  
Arun Yethiraj
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self

Monte Carlo Study of the Self-Assembly of Achiral Bolaform Amphiphiles into Helical Nanofibers

Langmuir ◽  
2010 ◽  
Vol 26 (5) ◽  
pp. 2979-2982 ◽  
Author(s):  
M. Wahab ◽  
P. Schiller ◽  
R. Schmidt ◽  
H.-J. Mögel
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self

MONTE CARLO SIMULATION OF SELF-ASSEMBLED AMPHIPHILIC DIBLOCK COPOLYMER IN SOLUTION

2003 ◽  
Vol 17 (01n02) ◽  
pp. 241-244 ◽  
Author(s):  
PINGCHUAN SUN ◽  
YUHUA YIN ◽  
BAOHUI LI ◽  
QINGHUA JIN ◽  
DATONG DING
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
The Self ◽  
Amphiphilic Diblock Copolymer ◽  
The Core ◽  
Spherical Micelles ◽  
The Given

In this paper, Monte Carlo method is applied to simulate the process of the self-assembly of amphiphilic diblock copolymer with a series of block lengths of the insoluble and soluble blocks. Under the given simulation conditions, the diblock copolymers form spherical micelles in solution. The dependence of the core radii of spherical micelles on both block lengths is obtained and compared with experimental results of Eisenberg and coworkers.

Monte Carlo Study on the Self-Assembly of Nanoparticles Into a Nanorod Structure

2013 ◽  
Vol 13 (9) ◽  
pp. 6254-6258
Author(s):  
Mohammad A. Matin ◽  
Hyojeong Kim ◽  
Joyanta K. Saha ◽  
Zhengqing Zhang ◽  
Jinkwon Kim ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self

A Monte Carlo study of crowding effects on the self-assembly of amphiphilic molecules

2009 ◽  
Vol 130 (20) ◽  
pp. 204701 ◽  
Author(s):  
Fengxian Zheng ◽  
Guangjin Chen ◽  
Xianren Zhang ◽  
Wenchuan Wang
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self ◽  
Amphiphilic Molecules ◽  
Crowding Effects

scholarly journals EFFECT OF POLYDISPERSITY ON THE SELFASSEMBLY OF AMPHIPHILIC DIBLOCK COPOLYMER IN A SELECTIVE SOLVENT:A MONTE CARLO STUDY

2011 ◽  
Vol 011 (4) ◽  
pp. 421-426 ◽  
Author(s):  
Jie CUI ◽  
Xiaoxu ZHANG ◽  
Yuanyuan HAN ◽  
Wei JIANG
Keyword(s):  
Monte Carlo ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Monte Carlo Study ◽  
The Self ◽  
Amphiphilic Diblock Copolymer

Monte Carlo Study of the Self-association of Methanol in Benzene

1991 ◽  
Vol 6 (4-6) ◽  
pp. 299-310 ◽  
Author(s):  
Y. Adachi ◽  
K. Nakanishi
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
The Self ◽  
Self Association

scholarly journals Crystalline modification of a rare earth nucleating agent for isotactic polypropylene based on its self-assembly

2018 ◽  
Vol 5 (5) ◽  
pp. 180247 ◽  
Author(s):  
Yuanming Zhang ◽  
Tingting Sun ◽  
Wei Jiang ◽  
Guangting Han
Keyword(s):  
Hydrogen Bond ◽  
Rare Earth ◽  
Isotactic Polypropylene ◽  
Self Assembly ◽  
Dendritic Structure ◽  
Nucleating Agent ◽  
The Self ◽  
Structure Evolution ◽  
Crystalline Modification ◽  
Assembly Structure

In this paper, the crystalline modification of a rare earth nucleating agent (WBG) for isotactic polypropylene (PP) based on its supramolecular self-assembly was investigated by differential scanning calorimetry, wide-angle X-ray diffraction and polarized optical microscopy. In addition, the relationship between the self-assembly structure of the nucleating agent and the crystalline structure, as well as the possible reason for the self-assembly behaviour, was further studied. The structure evolution of WBG showed that the self-assembly structure changed from a needle-like structure to a dendritic structure with increase in the content of WBG. When the content of WBG exceeded a critical value (0.4 wt%), it self-assembled into a strip structure. This revealed that the structure evolution of WBG contributed to the K β and the crystallization morphology of PP with different content of WBG. In addition, further studies implied that the behaviour of self-assembly was a liquid–solid transformation of WBG, followed by a liquid–liquid phase separation of molten isotactic PP and WBG. The formation of the self-assembly structure was based on the free molecules by hydrogen bond dissociation while being heated, followed by aggregation into another structure by hydrogen bond association while being cooled. Furthermore, self-assembly behaviour depends largely on the interaction between WBG themselves.

Self-assembly of AB diblock copolymer solutions confined in cylindrical nanopores

2017 ◽  
Vol 1 (3) ◽  
pp. 487-494 ◽  
Author(s):  
Yuping Sheng ◽  
Yutian Zhu ◽  
Wei Jiang ◽  
Zeyuan Dong
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
The Self

The self-assembly of AB diblock copolymer solutions confined in a cylindrical nanopore is investigated systematically via Monte Carlo simulations.

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