Prediction of the glass transition temperature and design of phase diagrams of butadiene rubber and styrene–butadiene rubber via molecular dynamics simulations

2017 ◽  
Vol 19 (25) ◽  
pp. 16498-16506 ◽  
Author(s):  
Myung Shin Ryu ◽  
Hyoung Gyu Kim ◽  
Hyun You Kim ◽  
Kyung-Shin Min ◽  
Hak Joo Kim ◽  
...  

In this study, we developed an equation to evaluate the pseudo-ternary Tg of quaternary SBR and plotted the ternary contour Tg plot for SBR with a variety of styrene compositions.

Soft Matter ◽  
2021 ◽  
Vol 17 (37) ◽  
pp. 8420-8433 ◽  
Author(s):  
Wei Li ◽  
Monica Olvera de la Cruz

We investigate the glass transition behavior of ion-containing polymers via molecular dynamics simulations, revealing its coupling with ionic correlations as well as variations of the glass transition temperature in bulk and thin films.


e-Polymers ◽  
2015 ◽  
Vol 15 (6) ◽  
pp. 393-399
Author(s):  
Ali Akbar Yousefi

AbstractA thermoplastic elastomeric blend was introduced based on high-density polyethylene and styrene-butadiene rubber (SBR). The morphology of the blend system was found to change from two-phase to co-continuous, depending on the polyethylene (PE) concentration. The thermo-mechanical measurements showed that, at the PE concentrations, which seemed to have a co-continuous morphology, the SBR inclusions were very fine. The fineness of the SBR domains resulted in a 20° depression of the glass transition temperature (Tg) of the SBR phase. This was attributed to the smooth interfaces at which the SBR chain sensed a higher free volume as compared with that in bulk SBR. A model correlating thin polymer thickness to the Tg of the confined polymer in the films was employed to correlate SBR domain size to the experimental Tg measured. The adjusting parameters A=129 and δ=1.45 were successfully used to fit the experimental data.


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