https://doi.org/10.1140/epjb/s10051-025-01012-2
Research - Statistical and Nonlinear Physics
A comparative study for polymer liquid mixture of poly(ethylene glycol) methyl ether methacrylate-475 with alkoxyethanol using thermoacoustical, simulations and spectroscopy tools
1
Ewing Christian College, University of Allahabad, Allahabad, India
2
Department of Applied Science, Shri Ramswaroop Memorial College of Engineering and Management, Lucknow, India
3
Department of Applied Science, Babu Banarsi Das Institute of Technology and Management, Lucknow, India
4
Department of Physics, University of Lucknow, Lucknow, India
a
hussainajaz4@gmail.com
b
laxmi.05.laxmi@gmail.com
Received:
27
May
2025
Accepted:
23
July
2025
Published online:
6
August
2025
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.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjb/s10051-025-01012-2 users.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2025
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
