A comparative study for polymer liquid mixture of poly(ethylene glycol) methyl ether methacrylate-475 with alkoxyethanol using thermoacoustical, simulations and spectroscopy tools

Ajaz Hussain (), Laxmi Kumari (), Shushant Shukla, Leena Sinha and Onkar Prasad
Additional contact information
Ajaz Hussain: University of Allahabad
Laxmi Kumari: Shri Ramswaroop Memorial College of Engineering and Management
Shushant Shukla: Babu Banarsi Das Institute of Technology and Management
Leena Sinha: University of Lucknow
Onkar Prasad: University of Lucknow

The European Physical Journal B: Condensed Matter and Complex Systems, 2025, vol. 98, issue 8, 1-21

Abstract: Abstract To predict the intermolecular interface amid polymer liquid mixture of poly ethylene glycol methyl ether methacrylate 475 (PEGMA475) with alkoxyethanol, the density (ρ) and ultrasonic velocity (u) have been measured over entire composition range at different temperatures (293.15 K, 303.15 K, and 313.15 K). Further, UV–visible, FT-IR spectroscopy and quantum chemical (density functional theory) simulations of polymeric systems were also performed using super computer to get deep insight of the intermolecular association. These findings were compared with the molecular dynamics simulations using OCTA based J-OCTA multi-scale simulator. The outcomes of molecular dynamics simulations were found to be in agreement with experimental thermo-acoustical and spectroscopic studies, along with theoretical DFT predictions as well. Graphical abstract

Date: 2025
References: Add references at CitEc
Citations:

Downloads: (external link)
http://link.springer.com/10.1140/epjb/s10051-025-01012-2 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:98:y:2025:i:8:d:10.1140_epjb_s10051-025-01012-2

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/s10051-025-01012-2

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().