CTE / Proceedings 2025 / Molecular Modeling of Polymethylmethacrylate-Polyaniline Composites and Study of its Properties

Molecular Modeling of Polymethylmethacrylate-Polyaniline Composites and Study of its Properties

DOI: https://doi.org/10.23939/cte2025.01.065
Computer Simulation in the Chemical Technology and Engineering
pp.
65-68
Abstract

Polymer-polymer composites based on polyaniline and polymethylmethacrylate were obtained. It was shown that intermolecular hydrogen bonds are formed between the composite components. The energy of hydrogen bonds is determined.  The intermolecular interaction between the components of the polymer-polymer composite affects it on the physic-chemical parameters.

Keywords (in English)
polyaniline
polymethylmethacrylate
hydrogen bonds
electrical conductivity
Author (co-authors)
First name Last name Institutional affiliation E-mail Phone number ORCID ID Academic status, position Institution address Author contribution(s) Institutional affiliation
Volodymyr
Dutka
volodymyr.dutka@lnu.edu.ua
6 Kyryla & Mefodia St., Lviv, 79005, Ukraine
Conceptualization
Data Curation
Methodology
Ivan Franko National University of Lviv
Yaroslav
Kovalskyi
yaroslav.kovalskyi@lnu.edu.ua
6 Kyryla & Mefodia St., Lviv, 79005, Ukraine
Data Curation
Investigation
Methodology
Ivan Franko National University of Lviv
Halyna
Halechko
halyna.halechko@lnu.edu.ua
6 Kyryla & Mefodia St., Lviv, 79005, Ukraine
Data Curation
Investigation
Ivan Franko National University of Lviv
Oleh
Khamar
oleh.khamar@lnu.edu.ua
6 Kyryla & Mefodia St., Lviv, 79005, Ukraine
Data Curation
Investigation
Ivan Franko National University of Lviv
References

[1] Khamar, O., Dutka, V., Kovalskyi, Ya., & Halechko, H. (2023). Molecular modeling of elektical condacting polymer polymer composition. Khimichna tekhnolohiia ta inzheneriia – 2023. Monohrafiia. Р. 15–22.

[2] Dutka, V. S., Kovalskiy, Ya. H., Khamar, O. O., & Halechko, H. M. (2023). Nanocomposites of polyaniline and polymethacrylic acids. Molecular Crystals and Liqud Crystals, 767(1), 79–85. DOI: 10.1080/15421406.2023.2228595

[3] Khamar, O., Dutka, V., Yatsyshyn, M., & Kovalskyi, Ya. (2024). Electrical conductivity and thermal stability of polyaniline and water-soluble polymer nanocomposites. Molecular Crystalc and Lyquid Crystals, 768(10), 269–275. DOI: 10.1080/15421406.2024.2348287

[4] Ghorbani, M., Fazli, S., & Lashkenari, S. (2018). Fabrication of PMMA/PANI/Fe3O4 as a novel conducting hybrid coating. Polym. Plast. Technol. Eng., 57, 591–599. DOI: 10.1080/03602559.2017.1332205

Manuscript file
molecular-modeling-polymethylmethacrylate-polyaniline-composites-and-study-its-properties.doc413.5 KB