A three-dimensional finite element methodology for addressing heterogeneous polymer systems with simulations based on self-consistent field theory

2021 ◽  
Author(s):  
Constantinos J. Revelas ◽  
Aristotelis P. Sgouros ◽  
Apostolos T. Lakkas ◽  
Doros N. Theodorou
Keyword(s):  
Three Dimensional ◽  
Polymer Systems ◽  
Consistent Field ◽  
Heterogeneous Polymer ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Dimensional Finite Element ◽  
Self Consistent Field Theory ◽  
Three Dimensional Finite Element ◽  
Finite Element Methodology

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.

Applications of self-consistent field theory in polymer systems

2006 ◽  
Vol 49 (1) ◽  
pp. 21-43 ◽  
Author(s):  
Yuliang Yang ◽  
Feng Qiu ◽  
Ping Tang ◽  
Hongdong Zhang
Keyword(s):  
Field Theory ◽  
Polymer Systems ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

A computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme

2018 ◽  
Vol 20 (43) ◽  
pp. 27272-27279 ◽  
Author(s):  
Ryo Fujiki ◽  
Yukako Kasai ◽  
Yuki Seno ◽  
Toru Matsui ◽  
Yasuteru Shigeta ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Acid Dissociation ◽  
Acid Dissociation Constant ◽  
Interaction Site ◽  
Site Model ◽  
Consistent Field ◽  
Correction Scheme ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

A scheme for quantitatively computing the acid dissociation constant of hydrated molecules is proposed based on 3D-RISM-SCF and LFC methods.

Self-consistent field theory and its applications in polymer systems

2011 ◽  
Vol 6 (4) ◽  
pp. 310-331 ◽  
Author(s):  
Dadong Yan ◽  
Tongchuan Suo ◽  
Xinghua Zhang ◽  
Xingkun Man ◽  
Bing Miao
Keyword(s):  
Field Theory ◽  
Polymer Systems ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory
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