Work

Nanocomposite Material Based on Polyvinyl Alcohol Modified with Carbon Nanotubes: Mechanism of Formation and Electronic Energy Structure

Year: 2024

Type: article

Abstract: The physical chemistry of surface phenomena in polymers is an important issue when studying the interaction of polymers with solid surfaces. This is due to the fact that most of the modern polymer materials are heterogeneous systems with highly developed phase separation surfaces. An example of such materials can be reinforced plastic, filled thermoplastics, reinforced rubber, paint coatings, etc. Polymer adsorption at the boundary of the phase separation process in solids plays an important role in the reinforcing effect of fillers, adhesion, gluing and obtaining composite materials with high strength properties. Compositions based on polyvinyl alcohol (PVA) modified with carbon nanotubes (CNTs) can be used as an interesting and informative system for studying the structure and properties of polymer nanocomposites, especially in a highly oriented state. PVA has one of the simplest chemical structure among the polymers, containing a functional (hydroxyl) group capable of participating in interphase interactions. In turn, carbon nanotubes with unique strength properties are currently products of industrial production, which makes it possible to control and modify their properties. To prove the possibility of creating new composite materials with improved strength characteristics, the mechanisms of interaction between PVA and CNTs are studied by modeling the adsorption processes of a polymer fragment on the outer surface of single-layer carbon nanotubes of different chirality, performed within the framework of the modern DFT calculation method. The main adsorption characteristics of the process and the features of the electron energy structure of the resulting composite systems are determined.

Source: Journal of Composites Science

DOI: 10.3390/jcs8020054

Authors: Lusine Elbakyan, Irina Zaporotskova, David Hayrapetyan

Institutions: Volgograd State University, Russian-Armenian University

Language: English

Topic: Carbon Nanotubes in Composites

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,046

Funders: Ministry of Education and Science of the Russian Federation, Ministry of Science and Higher Education of the Russian Federation