Modeling the Adsorption of Rheology Modifiers onto Latex Particles Using Coarse-Grained Molecular Dynamics (CG-MD) and Self-Consistent Field Theory (SCFT)

2015 ◽  
Vol 48 (21) ◽  
pp. 8045-8054 ◽  
Author(s):  
Valeriy V. Ginzburg ◽  
Antony Keith Van Dyk ◽  
Tirtha Chatterjee ◽  
Alan Isamu Nakatani ◽  
Shihu Wang ◽  
...  
Keyword(s):  
Field Theory ◽  
Molecular Dynamics ◽  
Coarse Grained ◽  
Latex Particles ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Coarse Grained Molecular Dynamics

Applications of worm-like chain model in polymer physics

2018 ◽  
Vol 32 (18) ◽  
pp. 1840006 ◽  
Author(s):  
Xin Xu ◽  
Ying Jiang
Keyword(s):  
Field Theory ◽  
Polymer System ◽  
The Self ◽  
Coarse Grained ◽  
Chain Rigidity ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Chain Conformations

Saito, Takahashi and Yunoki developed the continuous version of worm-like chain (WLC) model that is very suitable for description of the polymer conformational properties affected by chain rigidity. By adjusting persistence length directly, the WLC model can depict the extensive range of chain conformations from flexible chains to rigid chains. It is widely accepted that more physical properties of real polymer can be obtained by utilizing coarse-grained model than Gaussian chain (GSC). This paper reviews the applications of the WLC model in the framework based on self-consistent field theory, which is an efficient method of theoretical exploration of phase separation in polymer system. It is noticed that the development of numerical schemes is in favor of solving modified diffusion equation that adjusts the probability distribution of polymers. In addition, we conclude the recent applications of the self-consistent field theory based on the WLC model as the following three points: phase transitions of liquid crystal polymer; the influences of surface curvature on polymer system that involves the chain orientation effects; self-assembly of worm-like block copolymer. These researches have been out of the range of the self-consistent field theory based on GSC model that has been used in a large number of theoretical studies. Finally, we present ideas of theoretical development in field theory simulations based on the WLC model in the future. It is universally acknowledged that chain rigidity is a key factor that influences the properties of structural stabilities in the meso-scale in articles. Theoretical researches determine the key physical mechanisms that play crucial roles in many experimental systems with attractively promising applications in practice, for systems such as liquid crystalline polymers and organic solar cell based on the conjugated polymers.

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