Investigation of the Possibility of Creating Composites Based on a Biopolymer Reinforced with Carbon Nanotubes for Their Use in Prostheses

Abstract

One of the main and fairly new materials for prosthetics are polymers. Among the most commonly used materials nowadays in the design and manufacture of prostheses are polyetheretherketones (PEEK), which have excellent stiffness and strength. They can be modified with fillers to improve their already impressive properties. This results in increased durability of the materials, so that prosthetic components remain strong and viable even after years of use. There are many ways to obtain structural materials with improved functional properties, one of which is the introduction of carbon nanotubes (CNTs) into the matrix of polymer composite material (PCM), which, having unique physical and chemical properties, modify the polymer-matrix for further use in special-purpose products. This paper presents the results of the study of the possibility of creating composites based on biopolymer polyetheretherketone reinforced with carbon nanotubes for their use as a material for prostheses that can be produced by 3D printing. The interaction of a single-layer carbon nanotube (6, 6) with a polyetheretherketone monomer and with a fragment consisting of four PEEK monomers was modeled and studied. One-center and two-center interactions have been studied. The calculations were performed within the framework of the quantum-chemical DFT method with different basis sets. The main interaction parameters were determined and the possibility of realizing the modification of the polymer by nanotubes was proved, which can serve as a stimulus for the creation of a new material that will have new unique properties for the creation of durable prosthetic limbs.