Precisely tailoring the thermodynamic compatibility between single-walled carbon nanotubes and styrene butadiene rubber via fully atomistic molecular dynamics simulation and theoretical approach

2021 ◽  
Vol 186 ◽  
pp. 109995
Author(s):  
Yanlong Luo ◽  
Xianling Chen ◽  
Haobei Liu ◽  
Hao Zhang ◽  
Meng Song ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Walled Carbon Nanotubes ◽  
Dynamics Simulation ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber ◽  
Thermodynamic Compatibility ◽  
Styrene Butadiene ◽  
Walled Carbon Nanotubes

Understanding enzymatic degradation of single-walled carbon nanotubes triggered by functionalization using molecular dynamics simulation

2017 ◽  
Vol 4 (3) ◽  
pp. 720-727 ◽  
Author(s):  
Ming Chen ◽  
Guangming Zeng ◽  
Piao Xu ◽  
Yi Zhang ◽  
Danni Jiang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Horseradish Peroxidase ◽  
Enzymatic Degradation ◽  
Single Walled Carbon Nanotubes ◽  
Dynamics Simulation ◽  
Single Walled Carbon ◽  
Degrading Enzymes ◽  
Walled Carbon Nanotubes

Interactions of SWCNTs with their degrading enzymes (horseradish peroxidase and lactoperoxidase) during biodegradation.

scholarly journals Increasing the thermal conductivity of styrene butadiene rubber: insights from molecular dynamics simulation

RSC Advances ◽  
2020 ◽  
Vol 10 (39) ◽  
pp. 23394-23402 ◽  
Author(s):  
Xiuying Zhao ◽  
Bozhi Fu ◽  
Wenfeng Zhang ◽  
Haoxiang Li ◽  
Yonglai Lu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber ◽  
Styrene Butadiene

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

scholarly journals Temperature dependence of the interfacial bonding characteristics of silica/styrene butadiene rubber composites: a molecular dynamics simulation study

RSC Advances ◽  
2019 ◽  
Vol 9 (68) ◽  
pp. 40062-40071 ◽  
Author(s):  
Yanlong Luo ◽  
Haobei Liu ◽  
Bo Xiang ◽  
Xianling Chen ◽  
Wei Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber ◽  
Rubber Composites ◽  
Styrene Butadiene ◽  
Bonding Characteristics

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

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