Polymerization-induced polymer aggregation or polymer aggregation-enhanced polymerization? A computer simulation study

2018 ◽  
Vol 20 (37) ◽  
pp. 24379-24388 ◽  
Author(s):  
Si-Min Kong ◽  
Hong Liu ◽  
Yao-Hong Xue ◽  
Xiao-Li Liu ◽  
Xiao-Xi Jia ◽  
...  
Keyword(s):  
Computer Simulation ◽  
Binary Solution ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Reaction Model ◽  
Polymerization Process ◽  
Aggregation Process ◽  
Computer Simulation Study ◽  
Dynamics Simulations ◽  
Stochastic Reaction

In this study, using dissipative particle dynamics simulations coupled with the stochastic reaction model, we investigate the polymerization-induced polymer aggregation process and the polymer aggregation-enhanced polymerization process in a binary solution.

Polymer-grafted nanoparticles prepared via a grafting-from strategy: a computer simulation study

2018 ◽  
Vol 20 (27) ◽  
pp. 18400-18409 ◽  
Author(s):  
Long Li ◽  
Cheng Han ◽  
Dan Xu ◽  
Ji-Yuan Xing ◽  
Yao-Hong Xue ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Reaction Model ◽  
Polymer Chains ◽  
Coarse Grained ◽  
Computer Simulation Study ◽  
Grafted Nanoparticles ◽  
Dynamics Simulations ◽  
Grafting From ◽  
Stochastic Reaction

Nanoparticles (NPs) grafted with polymer chains prepared via a grafting-from strategy are studied through coarse-grained molecular dynamics simulations combined with our stochastic reaction model.

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.

scholarly journals Buckling in armored droplets

Nanoscale ◽  
2017 ◽  
Vol 9 (25) ◽  
pp. 8567-8572 ◽  
Author(s):  
François Sicard ◽  
Alberto Striolo
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Solid Particles ◽  
Mesoscopic Level ◽  
Dynamics Simulations

The buckling mechanism in droplets stabilized by solid particles (armored droplets) is tackled at a mesoscopic level using dissipative particle dynamics simulations.

scholarly journals A Generic Force Field for Simulating Native Protein Structures Using Dissipative Particle Dynamics

Soft Matter ◽  
2021 ◽  
Author(s):  
Rakesh K Vaiwala ◽  
Ganapathy Ayappa
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Protein Structures ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Native Protein ◽  
Dynamics Simulations

A coarse-grained force field for molecular dynamics simulations of native structures of proteins in a dissipative particle dynamics (DPD) framework is developed. The parameters for bonded interactions are derived by...

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