An exotic microstructured globular state formed by a single multiblock copolymer chain

Author(s):  
Artem Petrov ◽  
Alexey A. Gavrilov ◽  
Alexander Chertovich
Polymers ◽  
2019 ◽  
Vol 11 (5) ◽  
pp. 757 ◽  
Author(s):  
Daria Maltseva ◽  
Sergey Zablotskiy ◽  
Julia Martemyanova ◽  
Viktor Ivanov ◽  
Timur Shakirov ◽  
...  

The combination of flexibility and semiflexibility in a single molecule is a powerful design principle both in nature and in materials science. We present results on the conformational behavior of a single multiblock-copolymer chain, consisting of equal amounts of Flexible (F) and Semiflexible (S) blocks with different affinity to an implicit solvent. We consider a manifold of macrostates defined by two terms in the total energy: intermonomer interaction energy and stiffness energy. To obtain diagrams of states (pseudo-phase diagrams), we performed flat-histogram Monte Carlo simulations using the Stochastic Approximation Monte Carlo algorithm (SAMC). We have accumulated two-Dimensional Density of States (2D DoS) functions (defined on the 2D manifold of macrostates) for a SF-multiblock-copolymer chain of length N = 64 with block lengths b = 4, 8, 16, and 32 in two different selective solvents. In an analysis of the canonical ensemble, we calculated the heat capacity and determined its maxima and the most probable morphologies in different regions of the state diagrams. These are rich in various, non-trivial morphologies, which are formed without any specific interactions, and depend on the block length and the type of solvent selectivity (preferring S or F blocks, respectively). We compared the diagrams with those for the non-selective solvent and reveal essential changes in some cases. Additionally, we implemented microcanonical analysis in the “conformational” microcanonical ( N V U , where U is the potential energy) and the true microcanonical ( N V E , where E is the total energy) ensembles with the aim to reveal and classify pseudo-phase transitions, occurring under the change of temperature.


2021 ◽  
Vol 12 (12) ◽  
pp. 1837-1845
Author(s):  
Hongjuan Li ◽  
Siyuan Xu ◽  
Jing Li ◽  
Yanyan Tu ◽  
Xiaohong Li ◽  
...  

A cascade polymerization method is developed here for the synthesis of environmentally-friendly biodegradable all polyester-based thermoplastic elastomers with tunable properties.


2009 ◽  
Vol 45 (4) ◽  
pp. 1190-1197 ◽  
Author(s):  
Xiu-Li Wang ◽  
Yu-Rong Mou ◽  
Si-Chong Chen ◽  
Jing Shi ◽  
Yu-Zhong Wang

2020 ◽  
Vol 53 (23) ◽  
pp. 10538-10547
Author(s):  
Adam F. Nugraha ◽  
Songmi Kim ◽  
Sung-Hee Shin ◽  
Hyejin Lee ◽  
Dongwon Shin ◽  
...  

2010 ◽  
Vol 356 (37-40) ◽  
pp. 1893-1901 ◽  
Author(s):  
N. Guskos ◽  
J. Typek ◽  
B.V. Padlyak ◽  
Yu K. Gorelenko ◽  
I. Pelech ◽  
...  

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