Representation of gas solubility in glassy polymers by a concentration-temperature superposition principle

1991 ◽  
Vol 24 (9) ◽  
pp. 2361-2367 ◽  
Author(s):  
Y. Mi ◽  
S. Zhou ◽  
S. A. Stern
Keyword(s):  
Superposition Principle ◽  
Glassy Polymers ◽  
Gas Solubility ◽  
Temperature Superposition

Integration of Atomistic Simulation with Experiment Using Time−Temperature Superposition for a Cross-Linked Epoxy Network

2019 ◽  
Author(s):  
Ketan Khare ◽  
Frederick R. Phelan Jr.
Keyword(s):  
Master Curve ◽  
Glassy State ◽  
Superposition Principle ◽  
Quantitative Comparison ◽  
Time Shift ◽  
Data Sets ◽  
Epoxy Network ◽  
Temperature Superposition ◽  
Time Temperature Superposition ◽  
Time Temperature Superposition Principle

<a></a><a>Quantitative comparison of atomistic simulations with experiment for glass-forming materials is made difficult by the vast mismatch between computationally and experimentally accessible timescales. Recently, we presented results for an epoxy network showing that the computation of specific volume vs. temperature as a function of cooling rate in conjunction with the time–temperature superposition principle (TTSP) enables direct quantitative comparison of simulation with experiment. Here, we follow-up and present results for the translational dynamics of the same material over a temperature range from the rubbery to the glassy state. Using TTSP, we obtain results for translational dynamics out to 10<sup>9</sup> s in TTSP reduced time – a macroscopic timescale. Further, we show that the mean squared displacement (MSD) trends of the network atoms can be collapsed onto a master curve at a reference temperature. The computational master curve is compared with the experimental master curve of the creep compliance for the same network using literature data. We find that the temporal features of the two data sets can be quantitatively compared providing an integrated view relating molecular level dynamics to the macroscopic thermophysical measurement. The time-shift factors needed for the superposition also show excellent agreement with experiment further establishing the veracity of the approach</a>.

Gas solubility in glassy polymers—a correlation with excess enthalpy

Polymer ◽  
1992 ◽  
Vol 33 (8) ◽  
pp. 1696-1700 ◽  
Author(s):  
D.H. Rein ◽  
R.F. Baddour ◽  
R.E. Cohen
Keyword(s):  
Excess Enthalpy ◽  
Glassy Polymers ◽  
Gas Solubility
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