Molecular Dynamics Simulation Insight Into Two-Component Solubility Parameters of Graphene and Thermodynamic Compatibility of Graphene and Styrene Butadiene Rubber

2017 ◽  
Vol 121 (18) ◽  
pp. 10163-10173 ◽  
Author(s):  
Yanlong Luo ◽  
Runguo Wang ◽  
Wei Wang ◽  
Liqun Zhang ◽  
Sizhu Wu
RSC Advances ◽  
2020 ◽  
Vol 10 (39) ◽  
pp. 23394-23402 ◽  
Author(s):  
Xiuying Zhao ◽  
Bozhi Fu ◽  
Wenfeng Zhang ◽  
Haoxiang Li ◽  
Yonglai Lu ◽  
...  

It is very important to improve the thermal conductivity of styrene butadiene rubber (SBR) which can widen its application.


RSC Advances ◽  
2019 ◽  
Vol 9 (68) ◽  
pp. 40062-40071 ◽  
Author(s):  
Yanlong Luo ◽  
Haobei Liu ◽  
Bo Xiang ◽  
Xianling Chen ◽  
Wei Yang ◽  
...  

Temperature dependence of the interface between silica and styrene butadiene rubber modified by 3-mercaptopropionic acid was investigated by molecular dynamics simulation.


Author(s):  
Raj Chawla ◽  
Manish Dhawan ◽  
Sumit Sharma

A computational method based on molecular dynamics simulation has been used to investigate the tribological behavior of carbon nanotube reinforced styrene-butadiene rubber. A three-layer molecular model in which top and bottom layers with Fe atoms and core with styrene-butadiene rubber matrices have been designed. The effect of sliding velocities from 1 m/s to 11 m/s has been studied at an applied normal loading. The properties predicted are abrasion rate and coefficient of friction. The average values of coefficient of friction and abrasion rate decrease from 0.451 to 0.328 and 21.16 to 16.5%, respectively, under sliding velocities of 1 m/s to 11 m/s. The molecular dynamics results show the decrease in coefficient of friction and abrasion rates with increasing sliding velocity.


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