Decomposition Of Gas Research Articles

Thermal characteristics and recycling of bolus – a polyurethane-based material used in radiotherap

The thermal resistance was investigated and the potential for recycling of a polyurethanebased polymer material (bolus) in the form of a gel constituting medical waste after irradiation with ionizing energy was indicated. The same gel, which was not subjected to radiotherapy, was used asa reference material. Thermal stability, the course of oxidative decomposition and the type of volatile substances released during heating in an oxidizing atmosphere were examined using the TG/FT-IR method. The glass transition temperature (Tg) of the tested materials before and after irradiation was determined using the DSC method. It was found that irradiation caused a slight change in Tg and increased thermal stability. However, the irradiation time had no effect on the type of gaseous decomposition products released during heating in an oxidizing atmosphere. The used polyurethane material (bolus)was recycled to obtain new composite materials with different physicochemical properties.

The gas-sensing mechanism of Nb2C monolayer for SF6 decomposition based on the DFT study

Abstract During fault analysis of gas-insulated switchgear (GIS), continuous monitoring of the gases produced by the decomposition of SF6 is critical to the safe operation of the equipment. Although a variety of gas detection technologies are currently available on the market, low-power gas detection devices for SF6 decomposition products are still in the development stage, and technological advances in this area are of great significance for improving the reliability of GIS systems. Based on the density functional theory (DFT), the Nb2C crystal surface structure was established and six adsorption structures of SO2, H2S, SOF2, SO2F2, HF and CO gas molecules on Nb2C crystal surface were constructed by geometrical optimization in this paper. The gas-sensitive properties of each adsorption system were explored in terms of adsorption energy, charge transfer, electron density, density of states and recovery time. The results showed that the Nb2C crystal surface was unfit HF and CO gases detection, both of which showed weak physical adsorption; the adsorption energies of SO2, H2S, SOF2, and SO2F2 on the Nb2C crystal surface were −1.846 eV, −1.081 eV, −5.270 eV, and −10.582 eV, respectively, and all of them were strong chemical adsorption. It was further shown by theoretical recovery time calculations that the Nb2C crystal surface can act as SOF2 and SO2F2 gas scavengers, and are able to desorb H2S (4.69 s) and SO2 (2.26 s) gases by appropriately increasing the temperature, but the Nb2C crystal surface is more suitable for use as a low-power gas-sensitive material for H2S gas detection. Therefore, Nb2C is anticipated to be a promising material for high response, low-power consumption and fast recovery for H2S gas detection in SF6 decomposition gas.

Thermodynamics and kinetics of evaporation and thermal decomposition of 1-ethyl- and 1-butyl-3-methylimidazolium methanesulfonate ionic liquids: Experimental and computational study

Knudsen cell mass spectrometry was used to study the evaporation of two ionic liquids, 1-ethyl-3-methylimidazolium methanesulfonate ([EtMIm][MS], MS = CH3SO3) and 1-butyl-3-methylimidazolium methanesulfonate ([BuMIm][MS]), accompanied by thermal decomposition (thermolysis). The independent occurrence of evaporation and thermolysis reactions made it possible to determine their thermodynamic and kinetic characteristics under identical experimental conditions. The saturated vapor pressures were measured and the standard enthalpies of vaporization of [EtMIm][MS](l) and [BuMIm][MS](l) were obtained. The standard thermodynamic functions of formation in the liquid and gaseous states at 298.15 K were estimated from the available experimental data and the results of quantum chemical calculations. The gaseous decomposition products of ionic liquids were identified and the pressures of the thermolysis products of [EtMIm][MS](l) were determined. According to the experimental data and quantum chemical calculations, the thermolysis of [EtMIm][MS](l) occurs through heterogeneous reactions far from the equilibrium state. The kinetics of the reactions is described in two ways. When the degree of sample conversion is used as a variable, the constant reaction rates at the initial stage of thermolysis correspond to a pseudo-zero order reaction with a monotonic increase in the degree of conversion. In the proposed alternative approach, the reaction rates are estimated from the fluxes of thermolysis products and are expressed in terms of ionic liquid concentration.

Effect of occupational exposure to ADCA on the incidence of allergic respiratory reactions - a literature review

1,1'-azodi(formamide) (ADCA) is widely used as a blowing agent, a chemical substance designed to induce foaming processes. In Poland, ADCA is manufactured by a company specializing in the production of polyethylene foam bags and laminates used in various industries including home appliances, electronics, construction, furniture, automotive, and sports and leisure. The mechanism of action of ADCA involves thermal decomposition, resulting in nitrogen, carbon monoxide, as well as ammonia and carbon dioxide as the main gaseous decomposition products. These penetrate the polymer matrix, contributing to expansion and foaming properties. Most studies evaluating the relationship between occupational exposure and the development of allergic respiratory diseases focus on workers involved in ADCA production or its use as a blowing agent in plastics. The objective is to assess the respiratory sensitizing effects of ADCA in humans due to occupational exposure, based on literature data. The presented data confirm that long-term occupational exposure to ADCA can lead to persistent bronchial hyperreactivity symptoms in workers. 1,1'-azodi(formamide) can induce occupational asthma, with initial symptoms including nasal congestion, conjunctivitis, wheezing, and cough. Subsequently, symptoms such as chest tightness, dyspnea, and nocturnal cough attacks may appear, with a latency period of several years observed before symptom onset. In some cases, symptom progression was noted with continued ADCA exposure, while in others, exposure was discontinued after initial symptoms, preventing observation of symptom exacerbation. Prior exposure to allergens, such as working in bakeries, appears to accelerate symptom onset. Improvement in allergy symptoms has been noted during weekend breaks from work. There is no safe concentration identified for ADCA that would not result in adverse health effects for workers. A concentration of 0.036 mg/m3 is considered the lowest observed adverse effect concentration, causing critical reduction in lung spirometric parameters. Med Pr Work Health Saf. 2024;75(5).

Parameter Optimization of Semiconductor Gas Sensor under AC Impedance Measurement.

Semiconductor gas sensors were confirmed to perform high linearity and a stable baseline under alternating current (AC) impedance measurements. However, a procedure to determine the optimal parameters of AC impedance measurements is still lacking. Taking the detection of SF6 decomposition gas as an example, this work has established a model of semiconductor gas sensors under AC impedance measurement. Employing four types of sensors to detect three gases (H2S, SO2, and CO), the effectiveness of the optimization method has been validated, as well. With the high linearity and stable baseline obtained from AC impedance measurement, it enables rapid correction of temperature drift within environmental temperatures ranging from 10 to 30 °C. Overall, the proposed method can provide a novel approach to inhibit the drift failure of semiconductor gas sensors.

Numerical Simulation of Secondary Hydrate Formation Characteristics and Effectiveness of Prevention Methods

The exploitation of natural gas hydrates by the pressure reduction method is affected by the decomposition heat absorption effect, and the range of the formation temperature reduction area is expanding. At the same time, the temperature reduction phenomenon is more significant around the production wells under the influence of gas throttling and expansion effects, and hydrate formation will occur under certain temperature and pressure conditions, leading to blockage of effective seepage channels in the reservoir in the region and elevation of seepage resistance, which may affect the output of hydrate decomposition gas. A numerical simulation model is constructed for the purpose of studying the secondary hydrate generation pattern around the well, analyzing the impact of secondary hydrates around wells on the production capacity, and assessing the effectiveness of prevention methods to inform the actual production of hydrates. The results demonstrate that secondary hydrate is typically formed in the near-well area of the upper part of the production well, and the secondary hydrate around the upper part of the production well is the first to be formed, exhibiting the highest saturation peak and the latest decomposition. The formation of the secondary hydrate can be predicted based on the observed change in temperature and pressure, and the rate of secondary hydrate formation is markedly rapid, whereas the decomposition rate, approximately 0.285 mole/d, is relatively slow. Additionally, the impact of secondary hydrates on cumulative gas production is insignificant, and the effect of secondary hydrates on capacity can be ignored. Hot water injection, wellbore heating, and reservoir reconstruction can effectively eliminate secondary hydrates around the well. Reservoir reconstruction represents a superior approach to the elimination of secondary hydrates, which can effectively enhance production capacity while preventing the generation of secondary hydrates.

Gas sensitivity evaluation of decomposition gases in environmentally friendly insulating devices (C4F7N/CO2) (Chromium cluster-modified BNNTs surface interface at the atomic scale)

Under the global trend of green development, the research and development of environmentally friendly gas-insulated electrical equipment and the associated technical issues in the power systems industry have become important research topics. This study investigates the monitoring technology for decomposition gases (CO, C2F6, and COF2) under insulation defect conditions in environmentally friendly GIS equipment based on the green insulating gas mixture C4F7N/CO2. Initially, chromium clusters (Crn, n = 1–4) were used to modify one-dimensional boron nitride nanotubes (BNNTs), describing the changes in semiconductor electronic properties and magnetism at the microscopic interface. Interestingly, the electronic properties of the system changed significantly after modification, with increased electron mobility and enhanced conductivity. Subsequently, adsorption tests were conducted on three potential target gases, revealing that Cr-BNNT exhibited excellent adsorption for COF2, with an adsorption energy reaching -9.555 eV. This indicates its potential as a clean material for addressing COF2 (toxic) and CO leaks. Lastly, and most importantly, in the assessment of sensing performance, it has been discovered that Cr-BNNT holds promise as a gas sensor for C2F6. Furthermore, to meet diverse sensing requirements and environmental conditions, Cr3-BNNT and Cr4-BNNT have demonstrated potential as sensor array materials for the detection of CO (300 K, 0.145 μs) and COF2 (500 K, 3 min) gas concentrations, respectively. Our study contributes to the advancement of novel eco-friendly insulating gases and explores the use of new materials for monitoring the insulation performance and condition assessment of environmentally friendly GIS equipment.

Adsorption of eco-friendly insulating gas C4F7N on PdSe2 monolayer surface: A first-principles study

Heptafluoro-isobutyronitrile (C4F7N) is a novel environmentally friendly insulating and arc extinguishing gas utilized as a replacement for SF6 in gas insulated equipment (GIE). Nevertheless, the potentially hazardous decomposition byproducts of C4F7N resulting from sudden equipment failure may jeopardize the normal operation of GIE and the physical well-being of the operator. In this paper, using the first principles study the adsorption behavior of four common C4F7N decomposition gases (CF4, COF2, CF3CN, C2F5CN) on PdSe2 monolayer, and explore the adsorption mechanism of PdSe2 monolayer on C4F7N decomposition gas. The results show that the PdSe2 monolayer interacts with the four decomposition gases by physical adsorption mechanism, in which the PdSe2 monolayer causes the largest change in electronic properties and maximum work function (0.15 eV) near the Fermi level before and after adsorption of C2F5CN, indicating a strong interaction between C2F5CN and PdSe2 monolayer. The sensitivity of PdSe2 monolayer to C2F5CN was up to 68.61 %. Therefore, PdSe2 monolayer has the potential of selective detection of C2F5CN gas sensing materials, and the findings in this paper provide theoretical guidance for the development of PdSe2 monolayer gas sensing sensors for monitoring C4F7N insulation equipment.

Catalytic methane decomposition process on carbon-based catalyst under contactless induction heating

Hydrogen obtained from decomposition of natural gas with direct sequestration of carbon in solid form could be an attractive and cost-effective alternative for large-scale hydrogen production. We report here the use of a carbon-based catalyst to achieve the catalytic decomposition of methane (CMD) at medium temperature, 800 °C, under induction heating (IH). Analyses of the catalytic results and characterizations of the spent catalyst have shown that the carbon deposited during the reaction acts as the active phase for the reaction and can, therefore, be recycled infinitely. This autocatalytic effect can only be observed when the carbon catalyst operates under IH because the same catalyst operating under Joule heating (JH) deactivates rapidly in the same way as that already reported in the literature and no autocatalytic effect has been observed. The carbon formed is in the form of a graphene layer with a high degree of graphitization and is completely different from the carbon black powder obtained in other processes. These promising results could lay the groundwork for the development of an industrially and economically viable way to convert natural gas into turquoise hydrogen, using renewable energy and low-cost catalysts, with better resistance to poisoning by impurities present in the processing load. The combination of a carbon-based catalyst and non-contact IH could also lead to combined catalytic processes for many challenging reactions.

Experimental study on the effect of hydrate saturation in reservoir on microwave heating hydrate decomposition gas production

Microwave heating technology is an effective method to promote the decomposition of hydrates, with hydrate saturation being an important parameter influencing this process. This study has synthesized natural gas hydrates with different saturations within a high-pressure reaction vessel to conduct experiments on the decomposition of natural gas hydrates by microwave heating. The reservoir temperature, gas production dynamics, and energy utilization rate are investigated for hydrate saturations of 30.26 %, 35.63 %, and 39.61 %, respectively. The results indicate that increasing hydrate saturation enhances the microwave penetration depth, which in turn elevates the reservoir temperature and accelerates hydrate decomposition. When the hydrate saturation increases from 30.26 % to 39.61 %, the gas production time decreases. Simultaneously, both the volume and rate of gas production increase, accompanied by enhanced energy utilization rate. When the hydrate saturation is 39.61 %, the experiment achieves an average gas production rate of 1.17 L/min, a total volume of 19.73 L, and an energy utilization rate of 2.716. The research results can promote the application of microwave heating technology in the development of hydrates.

Dynamic Detection of Decomposition Gases in Eco-Friendly C5F10O Gas-Insulated Power Equipment by Fiber-Enhanced Raman Spectroscopy.

Dynamic detection of multiple C5F10O decomposition gases can more comprehensively and effectively evaluate the operating status of eco-friendly gas-insulated power equipment (GIPE), which is a technical support for promoting the construction of eco-friendly, low-carbon energy power systems. In this article, we propose a silicon noise suppression fiber-enhanced Raman spectroscopy (FERS) technique and design a FERS sensing system for the dynamic detection of multiple C5F10O decomposition gases. Benefiting from the effective hybrid silicon noise filtering technology, the spectrum noise of FERS can be suppressed by 90% and the system detection sensitivity can be improved by 4.22 times. Utilizing a 2 m-long antiresonant hollow-core fiber, the system achieved detection limits of 1.34 and 1.44 ppmv for CF4 and CO2, respectively, under the conditions of a laser power of 200 mW, a pressure of 0.5 MPa, and a measurement time of 120 s. Afterward, combining sample gas and density functional theory simulation, the characteristic peak positions for quantitative analysis of C5F10O decomposition gas were determined as follows: CF4: 906 cm-1, CO2: 1388 cm-1, C5F10O: 759 cm-1, CF2O: 965 cm-1, CF3H: 1117 cm-1, C2F4: 517 cm-1, C2F6: 807 cm-1, C3F6: 767 cm-1, C3F8: 780 cm-1, C3F7H: 857 cm-1, and C4F10: 770 cm-1. Finally, the sensing system conducted dynamic measurements of the partial discharge decomposition gases of the C5F10O GIPE for 5 days with a 2 h measurement interval. The content trends of C5F10O and decomposition gases CF4, CO2, C3F6, and C3F7H were obtained. These results fully demonstrate the capability of FERS technology for dynamically detecting the decomposition gases of the C5F10O GIPE.

Adsorption and sensing properties of TiO2-modified MoSe2 monolayer for SF6 decomposition components based on the first-principles

As crucial components in power systems, SF6 gas-insulated equipment inevitably develops insulation defects and faults over long-term operation, leading to the decomposition of SF6 gas. Therefore, detecting SF6 decomposition components is essential for assessing the operational status of SF6 gas-insulated equipment and ensuring the safe and stable operation of power systems. Based on first principles, the modification mechanism of TiO2 on MoSe2 was explored, and optimal adsorption models for gases SO2, H2S, SOF2, and SO2F2 on this composite material were established. The adsorption characteristics of each system were analyzed through parameters such as adsorption energy, adsorption distance, charge transfer, electron density difference, and density of states, and the sensing properties of the systems were discussed using parameters including changes in frontier molecular orbitals, desorption time, and sensitivity. The results indicate that TiO2–MoSe2 has difficulty capturing SO2F2, but exhibits chemisorption for SO2, H2S, and SOF2 with adsorption energies of −1.25 eV, −0.99 eV, and −3.40 eV, respectively. Upon adsorption of SO2, TiO2–MoSe2 shows a significant change in electrical conductivity, a desorption time of 4.51 s (at 498 K), and a strong sensitivity response. However, the response to H2S is relatively weak, with lower sensitivity. Therefore, this material is suitable for detecting SO2 but not H2S. TiO2–MoSe2 demonstrates a significant response and excellent sensitivity to SOF2; however, the adsorption process lacks repeatability. Therefore, it can be used as a disposable gas sensor or solid adsorbent for SOF2 detection. The results of this study provide theoretical support for the application of MoSe2-based sensors in the monitoring and fault diagnosis of SF6 gas-insulated equipment.

H2S induced in-situ formation of recyclable metal sulfide-based sorbent for elemental mercury sequestration in natural gas

Enlightened by the phenomenon that hydrogen sulfide (H2S) can readily decompose on metal oxides to generate sulfide species and the obtained metal sulfides are generally adopted as Hg-affine ligands for Hg0 capture, a urea modified copper oxide (U-CuO) was prepared via high-temperature calcination of the mixture of urea and copper nitrate for Hg0 removal in natural gas containing H2S. Benefitted from the decomposition of urea and the release of gaseous decomposition products, the as-synthesized U-CuO was enriched with abundant base sites and lattice oxygen, and characterized with developed textural features, which facilitates the diffusion and adsorption of H2S and subsequent sequestration of Hg0. The Hg0 adsorption capacity and uptake rate of U-CuO under simulated natural gas (N2 + 500 ppm H2S+8% H2O) reached as high as 134.06 mg g−1 and 58.32 μg g−1 min−1, respectively, which largely surpassed those of most CuS-based sorbents for Hg0 immobilization. Besides, U-CuO sorbent also exhibited satisfactory recyclability only through simple thermal treatment, the Hg0 removal efficiency of U-CuO maintained above 97 % even after ten adsorption-regeneration rounds. This preparation strategy not only provides valuable hints to guide the design and synthesis of Hg0 sorbents used for natural gas containing H2S but also inspires further investigation for the cost-effective performance enhancement of Hg0 sorbents.

Clathrate Hydrates as a Kind of Promising Ice Nanoreactors.

Since their discovery, clathrate hydrates (CHs) have received great attention both from theoretical and experimental aspects due to their great potential for gas storage and prospective applications as icy crystal materials. However, there has been limited research on the decomposition, reduction or other reactions of gases enclosed in CHs. Thanks to their unique hydrogen bonding network and cavity structures, CHs can serve as the promising nanoreactors to achieve chemical conversions, e. g. reducing greenhouse gases. In this review-type article, we characterize the potential performance of such CHs nanoreactors by discussing their multiple functions including important roles of hydrogen bonds in CHs, e. g. the confinement effect and proton source, and then discuss the enhanced electron-binding ability of guest molecules and the structures and properties of trapped electrons in the stacked nanocages, which contribute to our understanding of chemical reactions occurring in CHs. Finally, we provide detailed analyses of representative reaction mechanisms underwent in CH nanoreactors and effective calculational and molecular dynamics simulation methods. This review-type article aims to provide a detailed summary about the functional characteristics of CHs and reactivity in CHs, which make CHs a kind of promising icy nanoreactors.

DFT study of Cun (n = 1–3) cluster-modified WSe2 monolayers for the detection of SF6 decomposition gases (H2S, SO2, SOF2 and SO2F2)

The role of SF6 in gas-insulated equipment is crucial for insulation and arc extinction. When subjected to electrical faults, thermal faults, and mechanical failures in insulation devices, SF6 can decompose into H2S, SO2, SOF2, and SO2F2. This study conducted first-principles simulations to analyze the effect of Cun (n = 1–3) cluster-modified monolayer WSe2 on sensing H2S, SO2, SOF2, and SO2F2 gases during SF6 decomposition. The optimal doping positions of Cun-WSe2 clusters at n = 1, 2, and 3 were determined, showcasing their superiority over pure WSe2 in terms of band gap, frontier orbitals, and density of states. Subsequently, a detailed investigation was carried out on the adsorption effects of the four gases at the optimal doping positions, including parameters such as adsorption distance, adsorption energy, charge transfer, differential charge density, and density of states. It was found that when the number of copper atoms in the cluster increased to 3, the banding energy sharply rose to -2.395 eV. Simulation results demonstrated the adsorption behavior of H2S on Cun (n = 1–3)-WSe2 demonstrates remarkable affinity, with an increasing adsorption energy as the number of Cu atoms rises. Notably, Cun (n = 1–3)-WSe2 exhibits favorable desorption times for SO2. At 378 K, the desorption time for SO2@Cu3-WSe2 is 14.7 s. At 498 K, desorption times for SO2@Cu1-WSe2 and SO2@Cu2-WSe2 are 7.59 s and 2.85 s, respectively. When the number of copper atoms is 2, the cluster-modified system desorbs SOF2 at room temperature in only 0.89 s. Moreover, Cun (n = 1–3)-WSe2 displays strong adsorption towards SO2F2, characterized by prolonged desorption times, rendering it a promising adsorbent for SO2F2 removal. This study aims to highlight the adsorption effects of different numbers of Cu atomic clusters in the Cun-WSe2 system on SF6 decomposition gas, further advancing research for developing high-performance SF6 decomposition gas sensors.

Porous Structure Fibers Based on Multi-Element Heterogeneous Components for Optimized Electromagnetic Wave Absorption and Self-Anticorrosion Performance.

The excellent performance of electromagnetic wave absorbers primarily depends on the coordination among components and the rational design of the structure. In this study, a series of porous fibers with carbon nanotubes uniformly distributed in the shape of pine leaves are prepared through electrospinning technique, one-pot hydrothermal synthesis, and high-temperature catalysis method. The impedance matching of the nanofibers with a porous structure is optimized by incorporating melamine into the spinning solution, as it undergoes gas decomposition during high-temperature calcination. Moreover, the electronic structure can be modulated by controlling the NH4F content in the hydrothermal synthesis process. Ultimately, the Ni/Co/CrN/CNTs-CF specimen (P3C NiCrN12) exhibited superior performance, while achieving a minimum reflection loss (RLmin) of -56.18dB at a thickness of 2.2mm and a maximum absorption bandwidth (EABmax) of 5.76GHz at a thickness of 2.1mm. This study presents an innovative approach to fabricating lightweight, thin materials with exceptional absorption properties and wide bandwidth by optimizing the three key factors influencing electromagnetic wave absorption performance.

Density-functional theory study of SnSe/GeSe heterostructure for gaseous sulfur hexafluoride decomposition products sensing

Partial discharge, local overheating and other factors will lead to the decomposition of superior dielectric gas sulfur hexafluoride (SF6) used in gas insulated substations (GIS). Detecting gaseous sulfur hexafluoride (SF6) decomposition products by gas sensors to diagnose early latent insulation failures is a potential approach to guarantee safety and reliability of gas insulated substations (GIS). However, the main difficulties in the detection of SF6 decomposition products lie in sensitivity, operating temperature and sulfur poisoning of the sensor. Metal oxide selenides (MOSs)-based gas sensors suffer from high working temperature, long recovery time, and sulfur poisoning. Two dimensional selenides-based chemiresistor-type gas sensors have been reported to detect certain gases at room temperature. Compared with pristine materials, heterostructures usually have narrower band gaps and higher carrier mobility which promise low power and sensitivity. In this work, a SnSe/GeSe van der Waals heterostructure model is constructed and optimized to investigate the gas sensing properties by density functional theory (DFT) calculations. Compared with the pristine SnSe and the pristine GeSe, the SnSe/GeSe heterostructure exhibits huge adsorption energy and comparatively large charge transfer to the SF6 decomposition gases. The band structure analysis, charge analysis, electron localization function (ELF), and density of states (DOS) analysis suggest that the excellent sensing properties are contributed to the synergistic effect between the SnSe and the GeSe layers: both the layers transfer charge and orbitally interact with gas molecules. Besides, physical adsorption of the SF6 decomposition gases on SnSe/GeSe heterostructure avoids sulfur poisoning of the material, promising the recoverability and repeatability of detection. This study provides theoretical bases for the repeatable detection of SF6 decomposition products by SnSe/GeSe heterostructures and its potential in the design of electronic nose.

Application of sulfur hexafluoride in electrical engineering. Historical past, current state and prospects in future

A pressing issue today is the analysis of the possibilities of using SF6 gas and its possible limitations of use from the point of view of harmful effects on the environment. The article, based on free sources of information, systematizes the historical facts of the development of SF6 gas, the main stages of the formation of the SF6 gas environment as insulation for electrical equipment. Comparative characteristics of electrical strength for various insulating substances are presented. Research has been carried out on modern examples of the use of SF6 gas in medium and high voltage circuit breakers. Examples of the use of SF6 gas and its mixtures as gas insulation for high-voltage power lines are analyzed. It is shown that a promising direction for the development of SF6 gas is its use in gas-insulated power lines. Design features and examples of practical application of high-voltage gas-insulated power lines are presented. The features of using SF6 insulation in electrical equipment of different voltage classes are determined. Current environmental problems associated with the use of SF6 gas are analyzed and possible directions for overcoming them are established. The elements of SF6 gas decomposition products that are toxic and pose the greatest danger are considered. The characteristics of SF6 gas as a greenhouse gas are given and promising ways to reduce its use are shown. It has been established that by using not pure SF6 gas, but gas mixtures based on it, it is possible to significantly reduce the percentage of SF6 gas use. Promising directions for further development of gas insulating medium for electrical equipment without the use of SF6 gas have been established.

Two-dimensional Mo3-TiS2 monolayer hosting high moisture resistance and abundant surface-chemisorbed oxygen for effective detection of SF6 decomposition gases: Atomic-scale study

Monitoring the SF6 decomposition gas (DPA) by gas sensors can be used to predict the operating status of power equipment, and the sensitivity performance of gas sensors is deeply influenced by the humidity resistance and surface oxygen adsorption performance of their sensing materials. The present research aims to explore a high‐valence transition‐metal ion doped transition metal dichalcogenide (TMD) monolayer that hosts high moisture resistance and abundant surface-chemisorbed oxygen suitable for detecting DPA. Using first-principles methods, the adsorption behavior of three representative types of gases (HF, SO2, and CO2) in DPA, H2O, and O2 on Mo3-TiS2 monolayer are considered. Our results show that SO2 and CO2 molecules are adsorbed above the Mo3 cluster through chemical adsorption, while HF molecule is physically adsorbed. The desorption times for SO2 and CO2 on Mo3-TiS2 adsorbent are 9.89 s at 348 K and 34.96 s at 398 K, respectively. Introducing dopant Mo3 resulted in better anti-humidity performance of TiS2, as the force of Mo3-TiS2 monolayer towards H2O molecule is weakened compared to the intrinsic adsorption system. Additionally, Mo3-TiS2 monolayer exhibits an exceptionally high affinity for O2 molecule, leading to the rupture of chemical bond in O2, and the chemisorbed oxygen ions are acquired through the charge transfer between Mo3 cluster and O2 molecule. The computational findings in this article offer theoretical backing for advancing the development of gas sensors utilizing Mo3-TiS2 and its utilization in the realm of DPA detection.

AlC3 monolayer: Highly responsive and selective gas sensing material for SF6 decomposed gases (SOF2, SO2F2 and SO2)

Sulfur hexafluoride (SF6) is widely employed in industrial applications due to its interesting insulating properties. However, under electrical discharge conditions, it can undergo decomposition, yielding hazardous gases such as SOF2, SO2F2, and SO2, which can pose significant risks due to their increased toxicity and corrosive nature, affecting human health, the environment, and equipments. In this investigation, we employed density functional theory and ab-initio molecular dynamics to evaluate the stability of AlC3 monolayer and investigate its sensing capabilities. The findings establish the AlC3 monolayer as a champion material for detecting SF6 decomposition gases, specifically SOF2, SO2F2, and SO2. Importantly, the AlC3 monolayer exhibited low sensitivity to humidity and other gases, including CO2, CO, HF, H2, HCN, and H2S, highlighting its exceptional selectivity. SO2F2 exhibited the substantial adsorption energy of −1.36 eV, a work function of 5.2 eV, and a −0.69e charge transfer. Similarly, SO2 and SOF2 displayed significant adsorption energy (-1.19 eV and −1.08 eV, respectively), work functions (4.55 eV and 4.81 eV), and charge transfers (-0.61e and 0.78e). The significant variation in work function upon SO2F2 adsorption indicates the AlC3 monolayer's potential selectivity for SO2F2 over SO2 and SOF2, making it a promising material for surface work function modulated transistors. Ab-initio molecular dynamics simulations confirm AlC3 monolayer stability after adsorption at 300 K, validating predicted positions by density functional theory.