Diffusion and reinforcement mechanism study of the effect of styrene/butadiene ratio on the high-temperature property of asphalt using molecular dynamics simulation

2021 ◽  
pp. 1-13
Author(s):  
Sen Han ◽  
Xue Xue ◽  
Caihua Yu ◽  
Yan Wang ◽  
Jiahao Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Mechanism Study ◽  
Temperature Property ◽  
Reinforcement Mechanism ◽  
High Temperature Property ◽  
Styrene Butadiene

scholarly journals Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Ring Compounds ◽  
Fused Ring ◽  
Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

scholarly journals Molecular dynamics simulation of the evaporation of the surface wall of multi-wall carbon nanotubes at high temperature

2010 ◽  
Vol 59 (4) ◽  
pp. 2672
Author(s):  
Wang Wei ◽  
Zhang Kai-Wang ◽  
Meng Li-Jun ◽  
Li Zhong-Qiu ◽  
Zuo Xue-Yun ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Multi Wall Carbon Nanotubes

scholarly journals Molecular dynamics simulation of α-unsubstituted oligo-thiophenes: dependence of their high-temperature liquid-crystalline phase behaviour on molecular length

2019 ◽  
Vol 7 (32) ◽  
pp. 9984-9995 ◽  
Author(s):  
Flora D. Tsourtou ◽  
Stavros D. Peroukidis ◽  
Vlasis G. Mavrantzas
Keyword(s):  
Molecular Dynamics ◽  
Phase Diagram ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Liquid Crystalline ◽  
Md Simulations ◽  
Phase Behaviour ◽  
Dynamics Simulation ◽  
Molecular Length ◽  
Temperature Liquid

Phase diagram of α-nT oligomers with n = 5–8 from the MD simulations.

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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