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...
Lưu vào:
| Tác giả chính: | , |
|---|---|
| Định dạng: | Bài Báo |
| Ngôn ngữ: | English |
| Nhà xuất bản: |
ACS Publications
2020
|
| Chủ đề: | |
| Truy cập trực tuyến: | https://dlib.phenikaa-uni.edu.vn/handle/PNK/400 https://doi.org/10.1021/acsmacrolett.0c00006 |
| Từ khóa: |
Thêm từ khóa
Không có từ khóa, Hãy là người đầu tiên đánh dấu biểu ghi này!
|
| id |
oai:localhost:PNK-400 |
|---|---|
| record_format |
dspace |
| 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 |
8.891145 |