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Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates

We employ a new force-level statistical mechanical theory to predict spatial gradients of the structural relaxation time and Tg of polymer liquids near microscopically rough and smooth hard surfaces and contrast the results with vapor interface systems. Repulsive rough (smooth) surfaces induce large...

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Main Authors: Anh D. Phan, Kenneth S. Schweizer
Format: Article
Language:English
Published: ACS Publications 2020
Subjects:
Interfaces
Liquids
Power
Layers
Polymers
Online Access:https://dlib.phenikaa-uni.edu.vn/handle/PNK/400
https://doi.org/10.1021/acsmacrolett.0c00006
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spelling oai:localhost:PNK-4002022-08-17T05:54:37Z Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates Anh D. Phan Kenneth S. Schweizer Interfaces Liquids Power Layers Polymers We employ a new force-level statistical mechanical theory to predict spatial gradients of the structural relaxation time and Tg of polymer liquids near microscopically rough and smooth hard surfaces and contrast the results with vapor interface systems. Repulsive rough (smooth) surfaces induce large slowing down (modest speeding up) of the relaxation time compared to the bulk. Nevertheless, a remarkable degree of universality of distinctive dynamical behaviors is predicted for different polymer chemistries and all interfaces, including a double exponential form of the alpha time gradient, power law decoupling of the relaxation time from its bulk value with exponential spatial variation of the exponent, exponential spatial gradient of Tg, weak dependence of normalized Tg gradients on vitrification criterion, and near linear growth with cooling of the slowed down layer thickness near a rough hard interface. The results appear consistent with simulations and experiments, and multiple testable predictions are made. 2020-06-18T03:34:42Z 2020-06-18T03:34:42Z 2020 Article Working Paper https://dlib.phenikaa-uni.edu.vn/handle/PNK/400 https://doi.org/10.1021/acsmacrolett.0c00006 en application/pdf ACS Publications
institution Digital Phenikaa
collection Digital Phenikaa
language English
topic Interfaces
Liquids
Power
Layers
Polymers
spellingShingle Interfaces
Liquids
Power
Layers
Polymers
Anh D. Phan
Kenneth S. Schweizer
Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates
description We employ a new force-level statistical mechanical theory to predict spatial gradients of the structural relaxation time and Tg of polymer liquids near microscopically rough and smooth hard surfaces and contrast the results with vapor interface systems. Repulsive rough (smooth) surfaces induce large slowing down (modest speeding up) of the relaxation time compared to the bulk. Nevertheless, a remarkable degree of universality of distinctive dynamical behaviors is predicted for different polymer chemistries and all interfaces, including a double exponential form of the alpha time gradient, power law decoupling of the relaxation time from its bulk value with exponential spatial variation of the exponent, exponential spatial gradient of Tg, weak dependence of normalized Tg gradients on vitrification criterion, and near linear growth with cooling of the slowed down layer thickness near a rough hard interface. The results appear consistent with simulations and experiments, and multiple testable predictions are made.
format Article
author Anh D. Phan
Kenneth S. Schweizer
author_facet Anh D. Phan
Kenneth S. Schweizer
author_sort Anh D. Phan
title Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates
title_short Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates
title_full Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates
title_fullStr Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates
title_full_unstemmed Theory of Spatial Gradients of Relaxation, Vitrification Temperature and Fragility of Glass-Forming Polymer Liquids Near Solid Substrates
title_sort theory of spatial gradients of relaxation, vitrification temperature and fragility of glass-forming polymer liquids near solid substrates
publisher ACS Publications
publishDate 2020
url https://dlib.phenikaa-uni.edu.vn/handle/PNK/400
https://doi.org/10.1021/acsmacrolett.0c00006
_version_ 1751856307842842624
score 8.891053

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