On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation

2013 ◽  
Vol 138 (19) ◽  
pp. 194904 ◽  
Author(s):  
Paramvir Sandhu ◽  
Jing Zong ◽  
Delian Yang ◽  
Qiang Wang
Keyword(s):  
Diblock Copolymer ◽  
Microphase Separation ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Dynamics Simulations

Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics

2018 ◽  
Vol 20 (5) ◽  
pp. 2947-2969 ◽  
Author(s):  
Andriy Kovalenko ◽  
Sergey Gusarov
Keyword(s):  
Quantum Chemistry ◽  
Computational Chemistry ◽  
Dissipative Particle Dynamics ◽  
Molecular Simulations ◽  
Particle Dynamics ◽  
Multiscale Methods ◽  
Field Coupling ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

In this work, we will address different aspects of self-consistent field coupling of computational chemistry methods at different time and length scales in modern materials and biomolecular science.

Exploring Lateral Microphase Separation in Mixed Polymer Brushes by Experiment and Self-Consistent Field Theory Simulations

2011 ◽  
Vol 45 (1) ◽  
pp. 510-524 ◽  
Author(s):  
Andrew D. Price ◽  
Su-Mi Hur ◽  
Glenn H. Fredrickson ◽  
Amalie L. Frischknecht ◽  
Dale L. Huber
Keyword(s):  
Field Theory ◽  
Polymer Brushes ◽  
Microphase Separation ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

From vesicles to micelles: microphase separation of amphiphilic dendrimer copolymers in a selective solvent

Soft Matter ◽  
2015 ◽  
Vol 11 (45) ◽  
pp. 8801-8811 ◽  
Author(s):  
Bo Lin ◽  
Lan Liu ◽  
Shijie Zhang ◽  
Junzuo Huang ◽  
Fuan He ◽  
...  
Keyword(s):  
Microphase Separation ◽  
Three Dimensional ◽  
Real Space ◽  
Excluded Volume ◽  
Selective Solvent ◽  
Excluded Volume Effects ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

The microphase separation of amphiphilic dendrimer copolymers in a selective solvent with different excluded volume effects (αS) is investigated using three-dimensional real space self-consistent field theory.

scholarly journals Dual responsive PMEEECL–PAE block copolymers: a computational self-assembly and doxorubicin uptake study

RSC Advances ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 3233-3245 ◽  
Author(s):  
Amin Koochaki ◽  
Mohammad Reza Moghbeli ◽  
Sousa Javan Nikkhah ◽  
Alessandro Ianiro ◽  
Remco Tuinier
Keyword(s):  
Block Copolymers ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Dual Responsive ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Dynamics Simulations

The self-assembly behaviour of dual-responsive block copolymers and their ability to solubilize the drug doxorubicin is demonstrated using molecular dynamics simulations, coarse-grained force field simulations and self-consistent field theory.

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