A combined experimental and molecular dynamics simulation study of an intrinsic self-healing polyurethane elastomer based on dynamic non-covalent mechanism

Soft Matter ◽  
2021 ◽  
Author(s):  
Yanlong Luo ◽  
Xianling Chen ◽  
Jialiang Chen ◽  
Zhipeng Wu ◽  
Hongming Ma ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Simulation Study ◽  
The Self ◽  
Dynamics Simulation ◽  
Polyurethane Elastomer ◽  
Self Healing ◽  
Healing Efficiency

An intrinsic self-healing polyurethane (PU) elastomer with excellent self-healing efficiency was prepared. The self-healing properties of this elastomer as well as the temperature dependence of self-healing can be tailored by...

Molecular dynamics simulation insight into the temperature dependence and healing mechanism of an intrinsic self-healing polyurethane elastomer

2020 ◽  
Vol 22 (31) ◽  
pp. 17620-17631
Author(s):  
Xianling Chen ◽  
Jing Zhu ◽  
Yanlong Luo ◽  
Jun Chen ◽  
Xiaofeng Ma ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Molecular Diffusion ◽  
Healing Process ◽  
The Self ◽  
Dynamics Simulation ◽  
Polyurethane Elastomer ◽  
Self Healing ◽  
Insight Into

The changes in the type and number of hydrogen bonds as well as the microscopic behavior of molecular diffusion in the self-healing process of polyurethane are revealed.

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.

Temperature Dependence of the Dielectric Permittivity of Acetic Acid, Propionic Acid and Their Methyl Esters: A Molecular Dynamics Simulation Study

ChemPhysChem ◽  
2012 ◽  
Vol 13 (5) ◽  
pp. 1182-1190 ◽  
Author(s):  
Sereina Riniker ◽  
Bruno A. C. Horta ◽  
Bram Thijssen ◽  
Saumya Gupta ◽  
Wilfred F. van Gunsteren ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Acetic Acid ◽  
Molecular Dynamics Simulation ◽  
Dielectric Permittivity ◽  
Temperature Dependence ◽  
Propionic Acid ◽  
Simulation Study ◽  
Methyl Esters ◽  
Dynamics Simulation
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