The Relationships Between Polymers and Glass Transition Temperatures

Lewis, O. G.; Gallacher, L. V.

doi:10.21236/ad0620734

1965

DOI: 10.21236/ad0620734

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The Relationships Between Polymers and Glass Transition Temperatures

O. G. Lewis¹,

L. V. Gallacher²

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2018

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Average and Local T_g Shifts of Plasticized PVC from Simulations

Zhou

Milner

2018

Macromolecules

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The effects of plasticizers on the dynamics of polymer/plasticizer blends are practically important and theoretically interesting. Although it is well-known that plasticizers alter the glass transition of polymers, a microscopic view of the interplay between polymers and plasticizers and consequently the T g shifts is not completely clear. In this work, we perform atomistic simulations on plasticized poly(vinyl chloride) (PVC) plasticized by varying concentrations of di(2-ethylhexyl) phthalate (DEHP). After validating the model by comparing simulated thermodynamic and mechanical properties with experimental values, we obtain both average and local T g shifts from short-time segmental dynamics from data collapse. We find the average T g determined from fast dynamics decreases substantially with increasing plasticizer concentration, consistent with volumetric T g obtained from the temperature dependence of density. Furthermore, the local T g reduction of PVC similarly obtained decays exponentially as a function of the distance from the nearest plasticizer molecule. Interestingly, the local T g shifts seem to follow a simple additive rule, which can be described as the sum of the local T g shifts in the dilute limit resulting from each plasticizer independently.

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Average and Local T_g Shifts of Plasticized PVC from Simulations

Zhou

Milner

2018

Macromolecules

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The Relationships Between Polymers and Glass Transition Temperatures

Cited by 1 publication

References 7 publications

Average and Local T_g Shifts of Plasticized PVC from Simulations

Average and Local T_g Shifts of Plasticized PVC from Simulations

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The Relationships Between Polymers and Glass Transition Temperatures

Cited by 1 publication

References 7 publications

Average and Local Tg Shifts of Plasticized PVC from Simulations

Average and Local Tg Shifts of Plasticized PVC from Simulations

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Product

Resources

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Average and Local T_g Shifts of Plasticized PVC from Simulations

Average and Local T_g Shifts of Plasticized PVC from Simulations