Andrey M. Kovalskii

This paper considers the problem of estimating the quantitative parameters of a two-phase fluid flow in a well based on the dynamic physical flow model. This is a challenging problem in the oil and gas industry, where the knowledge of multiphase production rates plays an important role during reservoir characterization, production optimization and reservoir management. As the direct measurement of these rates is not easily available, they can be inferred from conventional sensors (e.g., pressure gauges) in combination with a dynamic multiphase flow model. The methodology proposed in this work uses inverse modeling concepts to estimate flow rates that are not measured directly. The mismatch between the available data and model prediction is numerically minimized, leading to the optimal set of dynamic flow variables characterizing the flow. Two different scenarios are considered: firstly, when the well has only a flow meter located at the wellhead (minimum amount of available information), and when the well has distributed pressure sensors in addition to the topside flow meter (maximum amount of information). The feasibility of the proposed concept is assessed via several simulation-based case studies.

The chemical engineering community has shown significant interest in investigating methods to decompose hydrogen sulfide into hydrogen and sulfur. However, there is still a lack of detailed experimental data enabling us to choose the optimal catalyst, reaction, and regeneration conditions, as well as the overall process design. The purpose of this work is to synthesize a series of catalysts and compare their catalytic activity under the same conditions, chosen on the basis of a possible large-scale H₂S conversion process. To achieve this, the obtained catalysts were characterized by BET, XRD, SEM, TEM, and XPS before and after the reaction. Decomposition was conducted in a laboratory fixed-bed reactor at a temperature of 500 °C, 10 vol% of H₂S in the feed, and a GHSV of 540–1000 h⁻¹. DFT calculations evaluated the H₂S bond cleavage on various catalyst surfaces. It was shown that the most promising catalyst was Ni₃S₂, offering an acceptable H₂S conversion of 40%. We also observed that Ni₃S₂ catalyst regeneration could be conducted at much milder conditions compared to those previously reported in the literature. These results highlight the viability of upscaling the process with the selected catalyst.

The development of hydrogen energy is capable of solving a number of important issues that modern society is facing, including global warming and various environmental impacts. Currently, there is an intensive search for natural sources of hydrogen as well as low-carbon techniques for mass production of hydrogen from natural gas, associated petroleum gas, and water. In parallel, efforts to develop technologies for the subsequent management of hydrogen are underway, and the creation of its safe and efficient storage is one of the highest priority goals. For the transportation and storage of hydrogen today, a number of solutions are offered, each of which has both positive and negative aspects. The boron nitride family of materials with high thermal and chemical stability, variability of morphologies, and flexibility of structure has been considered as a candidate for efficient hydrogen storage. This review offers to familiarize readers with the progress in the research and application of hexagonal boron nitride (h-BN), as well as BN-based materials in comparison with other materials, as promising hydrogen storage. Experimental and theoretical data obtained for different morphologies and internal structures were reviewed in relevance to the material`s sorption capacity with respect to hydrogen. Various approaches to improve the efficiency of hydrogen storage were analyzed, and the highest storage capabilities published were mentioned. Thus, BN-based materials are very promising as hydrogen storage, even for an automotive application, but the development of new mass production technologies should be carried out.

The use of nanoparticles (NPs) to modify the surface of cotton fabric is a promising approach to endowing the material with a set of desirable characteristics that can significantly expand the functionality, wear comfort, and service life of textile products. Herein, two approaches to modifying the surface of hexagonal boron nitride (h-BN) NPs with a hollow core and a smooth surface by treatment with maleic anhydride (MA) and diethylene triamine (DETA) were studied. The DETA and MA absorption on the surface of h-BN and the interaction of surface-modified h-NPs with cellulose as the main component of cotton were modeled using density functional theory with the extended Perdew-Burke-Ernzerhof functional. Theoretical modeling showed that the use of DETA as a binder agent can increase the adhesion strength of BN NPs to textile fabric due to the simultaneous hydrogen bonds with cellulose and BN. Due to the difference in zeta potentials (-38.4 vs -25.8 eV), MA-modified h-BN NPs form a stable suspension, while DETA-modified BN NPs tend to agglomerate. Cotton fabric coated with surface-modified NPs exhibits an excellent wash resistance and high hydrophobicity with a water contact angle of 135° (BN-MA) and 146° (BN-DETA). Compared to the original textile material, treatment with MA- and DETA-modified h-BN NPs increases heat resistance by 10% (BN-MA fabric) and 15% (BN-DETA fabric). Cotton fabrics coated with DETA- and MA-modified BN NPs show enhanced antibacterial activity against Escherichia coli U20 and Staphylococcus aureus strains and completely prevent the formation of an E. coli biofilm. The obtained results are important for the further development of fabrics for sports and medical clothing as well as wound dressings.

The COVID-19 pandemic has raised the problem of efficient, low-cost materials enabling the effective protection of people from viruses transmitted through the air or via surfaces. Nanofibers can be a great candidate for efficient air filtration due to their structure, although they cannot protect from viruses. In this work, we prepared a wide range of nanofibrous biodegradable samples containing Ag (up to 0.6 at.%) and Cu (up to 20.4 at.%) exhibiting various wettability. By adjusting the magnetron current (0.3 A) and implanter voltage (5 kV), the deposition of TiO₂ and Ag⁺ implantation into PCL/PEO nanofibers was optimized in order to achieve implantation of Ag⁺ without damaging the nanofibrous structure of the PCL/PEO. The optimal conditions to implant silver were achieved for the PCL-Ti0.3-Ag-5kV sample. The coating of PCL nanofibers by a Cu layer was successfully realized by magnetron sputtering. The antiviral activity evaluated by widely used methodology involving the cultivation of VeroE6 cells was the highest for PCL-Cu and PCL-COOH, where the VeroE6 viability was 73.1 and 68.1%, respectively, which is significantly higher compared to SARS-CoV-2 samples without self-sanitizing (42.8%). Interestingly, the samples with implanted silver and TiO₂ exhibited no antiviral effect. This difference between Cu and Ag containing nanofibers might be related to the different concentrations of ions released from the samples: 80 μg/L/day for Cu²⁺ versus 15 µg/L/day for Ag⁺. The high antiviral activity of PCL-Cu opens up an exciting opportunity to prepare low-cost self-sanitizing surfaces for anti-SARS-CoV-2 protection and can be essential for air filtration application and facemasks. The rough cost estimation for the production of a biodegradable nanohybrid PCL-Cu facemask revealed ~$0.28/piece, and the business case for the production of these facemasks would be highly positive, with an Internal Rate of Return of 34%.

BiFe₂(PO₄)₃ and Bi_1–xSb_хCr₂(PO₄)₃ (0 < x < 1) solid solutions, isostructural with α‑CaMg₂(SO₄)₃ (sp. gr. P6₃/m), have been prepared via boiling down a salt solution, followed by heat treatment, and characterized by X-ray powder diffraction and electron probe X-ray microanalysis. Using variable temperature X-ray diffraction, we have determined thermal expansion parameters of the phosphates in the range from 173 to 473 K. As the temperature is varied, the phosphates expand anisotropically, without polymorphic transitions. BiFe₂(PO₄)₃ and the Bi_1–xSb_хCr₂(PO₄)₃ solid solutions are low-expansion materials, with average linear thermal expansion coefficients α_av below 2 × 10^–6 K^–1.

Utilization of antibacterial components-conjugated nanoparticles (NPs) is emerging as an attractive strategy for combating various pathogens. Herein, we demonstrate that Ag/BN NPs and antibiotic-loaded BN and Ag/BN nanoconjugates are promising carriers to fight bacterial and fungal infections. Extensive biological tests included two types of Gram-positive methicillin-resistant Staphylococcus aureus strains (B8469 and MW2), two types of Gram-negative Pseudomonas aeruginosa strains (ATCC27853 and B1307/17), and 47 types of Escherichia coli strains (including 41 multidrug-resistant ones), as well as five types of fungal cultures: Candida albicans (candidiasis-thrush) ATCC90028 and ATCC24433, Candida parapsilosis ATCC90018, Candida auris CBS109113, and Neurospora crassawt. We have demonstrated that, even within a single genus Escherichia, there are many hospital E. coli strains with multi-drug resistance to different antibiotics. Gentamicin-loaded BN NPs have high bactericidal activity against S. aureus, P. aeruginosa, and 38 types of the E. coli strains. For the rest of the tested E. coli strains, the Ag nanoparticle-containing nanohybrids have shown superior bactericidal efficiency. The Ag/BN nanohybrids and amphotericin B-loaded BN and Ag/BN NPs also reveal high fungicidal activity against C. albicans, C. auris, C. parapsilosis, and N. crassa cells. In addition, based on the density functional theory calculations, the nature of antibiotic-nanoparticle interaction, the sorption capacity of the BN and Ag/BN nanohybrids for gentamicin and amphotericin B, and the most energetically favorable positions of the drug molecules relative to the carrier surface, which lead to lowest binding energies, have been determined. The obtained results clearly show high therapeutic potential of the antibiotic-loaded Ag/BN nanocarriers providing a broad bactericidal and fungicidal protection against all of the studied pathogens.

The continuous hexagonal boron nitride (h-BN) coating with the ~100-350 nm thickness was produced from the aqueous solutions of the lithium and sodium borates. The saturated solution was applied on the silicon support by the spin coating, dried under the normal conditions and treated in the ammonia atmosphere under 1300 °C. Such method is a promising way for the fabrication of protection coating. For example, for the protection of the carbon products from an oxidation under high temperature atmosphere.