NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2016, 7 (1), P. 253–259
Quantum-chemical study of carbon nanotubes interaction with contaminants of petroleum, oil and lubricants
I. Arkharova – Volgograd State University, Volgograd, Russia; email@example.com
I. Zaporotskova – Volgograd State University, Volgograd, Russia; firstname.lastname@example.org
The article presents the results from the study of carbon nanotube (CNT) interaction with the main products generated in the process of oil “aging”, in particular with a molecule of sulfurous acid, hydroxyl group, ferrous and aluminium oxides. The purpose of the paper is to prove the possibility of oxygen atom adsorption on the outside face of CNT.
Keywords: petroleum, oil and lubricants, nanomaterials, carbon nanotubes, quantum-chemical calculations, DFT.
PACS 61.46.Fq, 61.48.De, 62.23.Pq