Doping of Petroleum, Oil and Lubricants with Carbon Nanotubes as a Way to Improve the Performance of POL

It is assumed that carbon nanotubes can be used as an additive, which will improve the operational properties and functional characteristics of lubricants. The doping of petroleum, oil and lubricants – semi – synthetic engine oil – with the carbon nanotubes, taken in various wt.% of additives, was carried out: 0.01; 0.1; 0.5 wt.%. The following physical and chemical characteristics were investigated: 1) viscosity of composite mix at a temperature of T = 25 °C (an initial state); 2) viscosity of composite mix after its aging at T = 160 °C on the mode of oxidation of the investigated samples of composite mix during 24 h; 3) the oxidation stability has been determined by the «acidity» and «acid number» parameters, these parameters have been carried out for the investigated samples of composite mix in an initial state and after aging. We assumed that doping of oil with carbon nanotubes will change some of oil’s properties such as an indicator of viscosity, and chemical stability. The way of development functional and operational characteristics of lubricants by doping with carbon nanotubes was suggested. Results of researches showed that doping of carbon nanotubes causes change of such physical and chemical characteristics of lubricant as viscosity, acidity and acid number, alkaline parameter. Doping of lubricant with carbon nanotubes stops oxidation process and also leads to decrease of acidity and acid number in an initial state and for a state after aging. Besides, the carbon nanotube’s presence has increased alkaline parameter after aging of composite mix that provides ability of oil to neutralize collateral sulphurous products and after aging during its exploitation. Thus, the researches proved positive influence of carbon nanotubes on the main functional characteristics of lubricants that allow us to recommend CNTs as new additives of liquid lubricant composite mixes

Research into boron-carbon nanotube modified by alkaline metal atoms

We studied the mechanism of Li, K and Na atoms sorption on the external surface of single-walled BC5 nanotubes. We defined the optimal geometry of the sorption complexes and obtained the sorption energy values. The analysis of the band gap structure suggests that the band gap is insensitive to adsorption process. The electron density is located near the surface atoms of the tube.The reported research was funded by Russian Foundation for Basic Research and the government of Volgograd region, grant № 18-42-343009

Investigation of efficiency increasing for packing columns using carbon nanotubes

The aim of this paper was to investigate the possibility of selectivity increasing for pack-ing columns with carbon nanotubes (CNT). For this purpose we used three types of columns: pure CNT, pure Plate (siliceous gel), mixture of plate and CNT. As analyzed materials three organic compounds have been chosen: hexane, acetone, benzol. The results of the analysis showed, that pure CNT couldn't be used for the chromatography, but adding them in the plate made the selectivity process more effective.The reported research was funded by Russian Foundation for Basic Research and the government of Volgograd region, grant № 18-42-343009

Ионная проводимость бороуглеродных нанослоев типа ВС3

Studies of ionic conductivity  and structures in which it can be achieved are of great importance for the development of modern batteries. The use of new materials will allow avoiding such typical disadvantages of batteries as short service life, low capacity and leaks. In this article we present the results of our study of the ionic conductivity in boron  carbon nanolayers. We have simulated three types  of boron carbon nanolayers containing different amounts of boron. The studies have been carried out using the MNDO method within the framework of the  molecular cluster model  and  the  DFT method with the  B3LYP functional  and the 6−31G basis. To study the ion conduction process we have simulated vacancy formation for each type of the nanolayers and studied the energy and electronic characteristics of these processes. We show that 25 % boron substitution is the most energetically favorable for vacancy formation. We have  also  simulated vacancy migration  and  determined the  thermal conductivity  as  a function  of temperature.Исследования ионной проводимости и структуры,  в которых она может реализоваться, очень важны для развития современных элементов питания. Использование новых материалов позволит избавиться от таких недостатков, как малое время жизни, малая энергоемкость и возможность утечек из батареи. Исследованы особенности ионной проводимости бороуглеродных нанослоев типа ВС3, различающихся взаимным расположением входящих  в их состав атомов бора  и углерода. Для этой цели смоделированы три вида нанослоев с различными вариантами атомного упорядочения бора  и углерода в них. Эти слои содержали вакансию (V−дефект). Миграцию  вакансии, вызывающую перераспределение электронной плотности в слое, интерпретировали как движение ионов,  или ионную проводимость. Исследованы механизмы миграции вакансии и определены основные электронно− энергетические характеристики этих процессов. Определен наиболее предпочтительный для реализации ионной проводимости вариант бороуглеродного нанослоя

SENSOR PROPERTIES OF CARBOXYL- MODIFIED CARBON NANOTUBES

This paper studies the sensor activity of carboxyl-modified single-walled carbon nanotubes (zig-zag, armchair type) to atoms and ions of alkali metals Na, Li, K. The mechanism of the carboxyl binding to the open border of the semi-infinite carbon nanotube is investigated. Calculations of the interaction processes between the sensor and sample alkali atoms and alkaline ions are performed. The process of scanning a sample surface site with atoms of metals under consideration is modeled and the functional carboxyl group chemical activity is defined. The research is performed by the MNDO method within the framework of the molecular cluster model and DFT method

ABOUT THE POSSIBILITY OF CREATING A HIGH-PERFORMANCE SENSOR BASED ON BORON NITRIDE NANOTUBES

The possibility of attaching a chlorine atom to the outer surface of a single-layer borocar-bon ВС3 of a type A and B nanotube was investigated, namely, adsorption of a Cl atom was studied. Calculations were performed within the molecular cluster model using the MNDO [1] semiempiric scheme.Researches are executed with financial support of a grant of the Russian President № МК-1758.2020.8

О сенсорной активности углеродных нанотрубок, модифицированных карбоксильной, аминной и нитрогруппами, в отношении щелочных металлов

This article presents a theoretical study of sensor activity of nanosystems based on carbon nanotubes modified with functional groups (carboxyl, aminogen, nitrogroup) for some metal atoms and ions. Calculations have been performed within the frameworks of a molecular cluster model with the use of the semiempirical MNDO method and the density functional theory DFT. The mechanism of functional group binding to the open border of single−walled zig− zag carbon nanotubes leading to the formation of chemically active sensors on their basis has been investigated. Main geometric and electron energy characteristics of the resultant systems have been defined. Interaction of the sensors so synthesized with atoms and ions of some metals, e.g. potassium, sodium and lithium, has been analyzed.Обобщены результаты теоретического изучения сенсорной активности наносистем на основе углеродной нанотрубки, модифицированной функциональной группой (карбоксильной, аминной, нитрогруппой) в отношении некоторых металлических атомов и ионов, выполненного с использованием полуэмпирической расчетной схемы MNDO и теории функционала плотности DFT. Рассмотрен механизм присоединения функциональных групп к открытой границе однослойных углеродных нанотруб типа zig−zag для образования химически активного сенсорного зонда на их основе и взаимодействие построенных таким образом зондов с атомами и ионами калия, натрия, лития. Проведен сравнительный анализ активности сенсорных наносистем в отношении выбранных элементов и сделан вывод о выборе наиболее предпочтительной функциональной группы для модифицирования углеродных нанотрубок, которые могут быть использованы в качестве сенсорных зондов для идентификации атомов и ионов калия, лития и натрия, в том числе присутствующих в солях и щелочах

DETECTION OF IMPURITIES IN WATER BY USING NANOSTRUCTURES

In this paper, the interaction of impurities occurring in water with carbon nanostructures is considered. More frequent impurities of potassium and sodium nitrate are considered. The calculations were performed in the framework of the molecular cluster mode by MNDO

STUDY OF THE POSSIBILITY OF CREATING A MEDICINAL COATING OF MEDICAL STENTS BASED ON A COPOLYMER MODIFIED WITH CNT AND DOXORUBICIN

The possibility of creating an ultra-thin drug coating for biliary stents is considered. Calculations of the copolymer interaction with carbon nanotubes and drug product are also presented. This coating is proposed in order to improve biocompatibility during endobilial stenting.Работа выполнена при финансовой поддержке Министерства образования и науки РФ (государственное задание № FZUU-2023-0001)

IDENTIFICATION OF THE IMPURITIES IN THE ALCOHOL-CONTAINING SUBSTANCES WITH THE USE OF NANOSTRUCTURES

The paper presents the results of the detection of formic and acetic aldehydes in alcohol-containing liquids using carbon nanotubes. The calculations were performed in the framework of the molecular cluster model by the MNDO method