Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids

Anh D Phan; Agnieszka Jedrzejowska; Marian Paluch; Katsunori Wakabayashi

doi:10.1021/acsomega.0c00860

Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids

ACS Omega. 2020 May 5;5(19):11035-11042. doi: 10.1021/acsomega.0c00860. eCollection 2020 May 19.

Authors

Anh D Phan^{1

2}, Agnieszka Jedrzejowska³, Marian Paluch³, Katsunori Wakabayashi⁴

Affiliations

¹ Faculty of Materials Science and Engineering, Phenikaa Institute for Advanced Study, Phenikaa University, Hanoi 12116, Vietnam.
² Faculty of Computer Science, Artificial Intelligence Laboratory, Phenikaa University, Hanoi 12116, Vietnam.
³ Institute of Physics, University of Silesia, SMCEBI, 75 Puku Piechoty 1a, 41-500 Chorzów, Poland.
⁴ Department of Nanotechnology for Sustainable Energy, School of Science and Technology, Kwansei Gakuin University, Sanda 669-1337, Hyogo, Japan.

Abstract

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.