scholarly journals Kaleidoscopic tilings, networks and hierarchical structures in blends of 3-miktoarm star terpolymers

2012 ◽  
Vol 2 (5) ◽  
pp. 602-607 ◽  
Author(s):  
Jacob Judas Kain Kirkensgaard
Keyword(s):  
Phase Diagram ◽  
Network Structure ◽  
Dissipative Particle Dynamics ◽  
Hierarchical Structures ◽  
Particle Dynamics ◽  
Network Structures ◽  
Lamellar Interface ◽  
Miktoarm Star ◽  
Dynamics Simulations ◽  
Hierarchical Features

Dissipative particle dynamics simulations are used to explore blends of 3-miktoarm star terpolymers. The investigated system is a 50/50 blend of ABC and ABD stars, which is investigated as a function of composition and at different symmetric segregation levels. The study shows that in analogy to pure ABC star melts cylindrical tiling patters form, but now in four-coloured variants. Also, a large part of the phase diagram is dominated by multi-coloured network structures showing hierarchical features. Most prominently, a novel alternating gyroid network structure with a hyperbolic lamellar interface is predicted to form. Here, the two gyroidal nets are composed of respectively C and D components, with the minority A and B components forming the lamellar-like curved structure on the dividing interface between the two nets.

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 An experimental rheological phase diagram of a tri-block co-polymer in water validated against dissipative particle dynamics simulations

Soft Matter ◽  
2019 ◽  
Vol 15 (6) ◽  
pp. 1396-1404 ◽  
Author(s):  
Rossana Pasquino ◽  
Hermes Droghetti ◽  
Paola Carbone ◽  
Shadi Mirzaagha ◽  
Nino Grizzuti ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Aqueous Solutions ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulations

A rheological phase diagram of aqueous solutions based on Pluronic L64 was experimentally evaluated and validated via DPD simulations.

scholarly journals Dissipative particle dynamics simulations of tri-block co-polymer and water: Phase diagram validation and microstructure identification

2018 ◽  
Vol 149 (18) ◽  
pp. 184903 ◽  
Author(s):  
Hermes Droghetti ◽  
Ignacio Pagonabarraga ◽  
Paola Carbone ◽  
Pietro Asinari ◽  
Daniele Marchisio
Keyword(s):  
Phase Diagram ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Water Phase ◽  
Dynamics Simulations

Polymer-mediated nanorod self-assembly predicted by dissipative particle dynamics simulations

Soft Matter ◽  
2015 ◽  
Vol 11 (34) ◽  
pp. 6881-6892 ◽  
Author(s):  
Shaghayegh Khani ◽  
Safa Jamali ◽  
Arman Boromand ◽  
Michael J. A. Hore ◽  
Joao Maia
Keyword(s):  
Phase Diagram ◽  
Polymer Matrix ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Three Dimensional ◽  
Particle Dynamics ◽  
Nano Rods ◽  
Dynamics Simulations

Three dimensional phase diagram for controlled aggregation/dispersion of polymer grafted nano-rods in a polymer matrix.

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

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 Correction: Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (66) ◽  
pp. 41787-41787
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Shah Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Mesoscale Structure ◽  
Dynamics Simulations

Correction for ‘Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane’ by Yue Ma et al., RSC Adv., 2017, 7, 39676–39684.

scholarly journals Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (63) ◽  
pp. 39676-39684 ◽  
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Sha Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Small Particles ◽  
Cluster Network ◽  
Mesoscale Structure ◽  
Dynamics Simulations

The blend morphologies evolve from disordered small particles to a regular PVDF cluster network, which were connected by SPEEK cylindrical channels.

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