The glass transition temperature measurements of polyethylene: determined by using molecular dynamic method

RSC Advances ◽  
2016 ◽  
Vol 6 (15) ◽  
pp. 12053-12060 ◽  
Author(s):  
Qing Yang ◽  
Xin Chen ◽  
Zhouwen He ◽  
Fengtao Lan ◽  
Hui Liu
Keyword(s):  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Temperature Measurements ◽  
Good Agreement

Different measurements of molecular dynamic simulation are used to investigated the glass transition temperature of polyethylene in this work. The simulated value of the Tg is about 200 K, which is in good agreement with available data of 195 K in the literature.

Effect of Chain Morphology and Carbon-Nanotube Additives on the Glass Transition Temperature of Polyethylene

2013 ◽  
Vol 23 ◽  
pp. 16-23 ◽  
Author(s):  
S. Herasati ◽  
H.H. Ruan ◽  
Liang Chi Zhang
Keyword(s):  
Experimental Data ◽  
Mechanical Properties ◽  
Glass Transition ◽  
Carbon Nanotube ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Md Simulation ◽  
Md Simulations ◽  
Crystalline Polymers ◽  
Good Agreement

Glass transition temperature Tg is the most important parameter affecting the mechanical properties of amorphous and semi-crystalline polymers. However, the atomistic origin of glass transition is not yet well understood. Using Polyethylene (PE) as an example, this paper investigates the glass transition temperature Tg of PE with the aid of molecular dynamics (MD) simulation. The effects of PE chain branches, crystallinity and carbon-nanotube (CNT) additives on the glass transition temperature are analyzed. The MD simulations render a good agreement with the relevant experimental data of semi-crystalline PE and show the significant effects of crystallinity and addition of CNTs on Tg.

Research on Oxyfluoride Glasses in Material Engineering with Optical Basicity and Electronic Polarizability

2012 ◽  
Vol 568 ◽  
pp. 336-339
Author(s):  
Xiao Li Wang ◽  
Da Wei Yu ◽  
Xu Han ◽  
Xin Yu Zhao
Keyword(s):  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Potential Application ◽  
Optical Basicity ◽  
Electronic Polarizability ◽  
Material Engineering ◽  
Oxyfluoride Glasses ◽  
Experimental Values ◽  
Good Agreement

In material engineering, oxyfluoride glasses have a great important potential application in NLO. The optical basicity and electronic polarizability of oxyfluoride glasses have been evaluated on the basis of the optical electronegativity. The estimated values are in good agreement with previous experimental values. Furthermore, we introduce optical electronegativity of oxyfluoride glasses to predict the glass transition temperature Tg of oxyfluoride glasses. The present investigation suggests that the glass transition temperature Tg decreases with increasing optical electronegativity.

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