Glass Transition Temperatures of Polymers from Molecular Dynamics Simulations

1994 ◽  
Vol 27 (26) ◽  
pp. 7781-7784 ◽  
Author(s):  
Jie Han ◽  
Richard H. Gee ◽  
Richard H. Boyd
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Molecular Dynamics Simulations ◽  
Transition Temperatures ◽  
Glass Transition Temperatures ◽  
Dynamics Simulations

Prediction of the glass transition temperature and design of phase diagrams of butadiene rubber and styrene–butadiene rubber via molecular dynamics simulations

2017 ◽  
Vol 19 (25) ◽  
pp. 16498-16506 ◽  
Author(s):  
Myung Shin Ryu ◽  
Hyoung Gyu Kim ◽  
Hyun You Kim ◽  
Kyung-Shin Min ◽  
Hak Joo Kim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Molecular Dynamics Simulations ◽  
Phase Diagrams ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber ◽  
Dynamics Simulations ◽  
Styrene Butadiene

In this study, we developed an equation to evaluate the pseudo-ternary Tg of quaternary SBR and plotted the ternary contour Tg plot for SBR with a variety of styrene compositions.

scholarly journals Elucidating the mechanisms of nanodiamond-promoted structural disruption of crystallised lipid

Soft Matter ◽  
2016 ◽  
Vol 12 (40) ◽  
pp. 8338-8347 ◽  
Author(s):  
Zak E. Hughes ◽  
Tiffany R. Walsh
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transition Temperatures ◽  
Phase Transition Temperatures ◽  
Dynamics Simulations ◽  
Structural Disruption

Molecular dynamics simulations predict that a combination of sodium dodecylbenzene sulphonate surfactant molecules and nanodiamonds are able to induce a lowering of the phase transition temperatures of tristearin bilayers.

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