Cargando…
Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids
[Image: see text] We develop the elastically collective nonlinear Langevin equation theory of bulk relaxation of glass-forming liquids to investigate molecular mobility under compression conditions. The applied pressure restricts more molecular motion and therefore significantly slows down the molec...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7241026/ https://www.ncbi.nlm.nih.gov/pubmed/32455224 http://dx.doi.org/10.1021/acsomega.0c00860 |
_version_ | 1783537009360371712 |
---|---|
author | Phan, Anh D. Jedrzejowska, Agnieszka Paluch, Marian Wakabayashi, Katsunori |
author_facet | Phan, Anh D. Jedrzejowska, Agnieszka Paluch, Marian Wakabayashi, Katsunori |
author_sort | Phan, Anh D. |
collection | PubMed |
description | [Image: see text] We develop the elastically collective nonlinear Langevin equation theory of bulk relaxation of glass-forming liquids to investigate molecular mobility under compression conditions. The applied pressure restricts more molecular motion and therefore significantly slows down the molecular dynamics when increasing the pressure. We quantitatively determine the temperature and pressure dependence of the structural relaxation time. To validate our model, dielectric spectroscopy experiments for three rigid and nonpolymeric supramolecules are carried out at ambient and elevated pressures. The numerical results quantitatively agree with experimental data. |
format | Online Article Text |
id | pubmed-7241026 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-72410262020-05-22 Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids Phan, Anh D. Jedrzejowska, Agnieszka Paluch, Marian Wakabayashi, Katsunori ACS Omega [Image: see text] We develop the elastically collective nonlinear Langevin equation theory of bulk relaxation of glass-forming liquids to investigate molecular mobility under compression conditions. The applied pressure restricts more molecular motion and therefore significantly slows down the molecular dynamics when increasing the pressure. We quantitatively determine the temperature and pressure dependence of the structural relaxation time. To validate our model, dielectric spectroscopy experiments for three rigid and nonpolymeric supramolecules are carried out at ambient and elevated pressures. The numerical results quantitatively agree with experimental data. American Chemical Society 2020-05-05 /pmc/articles/PMC7241026/ /pubmed/32455224 http://dx.doi.org/10.1021/acsomega.0c00860 Text en Copyright © 2020 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Phan, Anh D. Jedrzejowska, Agnieszka Paluch, Marian Wakabayashi, Katsunori Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids |
title | Theoretical and Experimental Study of Compression
Effects on Structural Relaxation of Glass-Forming Liquids |
title_full | Theoretical and Experimental Study of Compression
Effects on Structural Relaxation of Glass-Forming Liquids |
title_fullStr | Theoretical and Experimental Study of Compression
Effects on Structural Relaxation of Glass-Forming Liquids |
title_full_unstemmed | Theoretical and Experimental Study of Compression
Effects on Structural Relaxation of Glass-Forming Liquids |
title_short | Theoretical and Experimental Study of Compression
Effects on Structural Relaxation of Glass-Forming Liquids |
title_sort | theoretical and experimental study of compression
effects on structural relaxation of glass-forming liquids |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7241026/ https://www.ncbi.nlm.nih.gov/pubmed/32455224 http://dx.doi.org/10.1021/acsomega.0c00860 |
work_keys_str_mv | AT phananhd theoreticalandexperimentalstudyofcompressioneffectsonstructuralrelaxationofglassformingliquids AT jedrzejowskaagnieszka theoreticalandexperimentalstudyofcompressioneffectsonstructuralrelaxationofglassformingliquids AT paluchmarian theoreticalandexperimentalstudyofcompressioneffectsonstructuralrelaxationofglassformingliquids AT wakabayashikatsunori theoreticalandexperimentalstudyofcompressioneffectsonstructuralrelaxationofglassformingliquids |