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Titanium zirconium vanadium (TiZrV) is a widely used non-evaporable getter (NEG) material with the characteristics of a low activation temperature and a large gas absorption capacity. At present, the research on TiZrV getters mainly focuses on the thin-film state, with little research on the bulk state. In this paper, a TiZrV getter was optimized by adding Al, and the phase structure, activation properties, and gettering performance were studied. With the addition of Al, the α-Zr phase and Ti2Zr phase changed into the Ti-Zr phase and Al-Zr, Al-Ti phase. The newly generated phase promoted the diffusion of hydrogen and oxygen atoms. The activation temperature decreased significantly, as shown in the in situ XPS results. The H2 and CO gettering performance of TiZrVAl samples was promoted to 2073 cm3·s−1 and 1912.8 cm3·s−1, increased by 40.7% and 40.3%. This paper provides valuable ideas for optimizing the properties of bulk TiZrV getters. [ABSTRACT FROM AUTHOR]

The gas sweetening process is essential for removing harmful acid gases, such as hydrogen sulfide (H2S) and carbon dioxide (CO2), from natural gas before delivery to end-users. Consequently, chemical absorption-based acid gas removal units (AGRUs) are widely implemented due to their high efficiency and reliability. The most common solvent used in AGRU is monodiethanolamine (MDEA), often mixed with piperazine (PZ) as an additive to accelerate acid gas capture. The absorption performance, however, is significantly influenced by the solvent mixture composition. Despite this, solvent composition is often determined through trial and error in experiments or simulations, with limited studies focusing on predictive methods for optimizing solvent mixtures. Therefore, this paper aims to develop a predictive technique for determining optimal solvent compositions under varying sour gas conditions. An ensemble algorithm, Extreme Gradient Boosting (XGBoost), is selected to develop two predictive models. The first model predicts H2S and CO2 concentrations, while the second model predicts the MDEA and PZ compositions. The results demonstrate that XGBoost outperforms other algorithms in both models. It achieves R2 values above 0.99 in most scenarios, and the lowest RMSE and MAE values of less than 1, indicating robust and consistent predictions. The predicted acid gas concentrations and solvent compositions were further analyzed to study the effects of solvent composition on acid gas absorption across different scenarios. The proposed models offer valuable insights for optimizing solvent compositions to enhance AGRU performance in industrial applications. [ABSTRACT FROM AUTHOR]

It is imperative to conduct experimental studies on the seepage behavior of gas-bearing coal under cyclic dynamic loading conditions. This paper focuses on the evolution of coal permeability under the combined effects of dynamic loading, static loading, and gas adsorption. The principal conclusions are as follows: (1) As the frequency and amplitude of dynamic loading increase, the development of pore and fissure structures within the coal body becomes increasingly pronounced during dynamic loading cycles, resulting in a gradual rise in permeability. Notably, as the coal approaches its yielding stage, the permeability can increase by up to 47%. (2) The permeability curve is divided into four regions: the compaction reduction zone, the oscillation zone, the gradual recovery zone, and the abrupt failure increase zone. Ultimately, in the failure phase, the permeability surges dramatically, potentially reaching four to five times the initial permeability. (3) When the static loading stage and dynamic load are constant, the rate of change in coal permeability decreases with increasing adsorption amounts. When the adsorption amount is constant, the rate of change in permeability of the coal under dynamic loading increases with the increase in the static loading stress stage, with the maximum increase reaching 75.2%. It can be concluded from the rate of change in permeability and the dynamic loading sensitivity coefficient that the permeability of coal is highly sensitive to cyclic dynamic loading, with increased sensitivity associated with larger static loading stages and decreased sensitivity with greater adsorption amounts. [ABSTRACT FROM AUTHOR]

Accurately predicting the adsorbed gas content in coal reservoirs is crucial for evaluating the gas content in deep coal seams. However, due to the significant variations in temperature and pressure conditions across different coal reservoirs, accurately assessing the adsorbed gas quantity presents challenges. Based on the adsorption potential theory, this paper proposes a prediction model of adsorbed gas that is applicable under various temperature and pressure conditions. The results indicate that the adsorbed gas content in deep coal reservoirs is influenced by a combination of temperature, pressure, and coal rank. The increase in pressure and coal rank enhances the inhibitory effect of temperature on methane adsorption. Meanwhile, there are significant differences in the results obtained from various virtual saturated vapor pressure models. Among them, the Amankwah model theoretically satisfies the uniqueness of the adsorption characteristic curve, with the optimal k values for different coal rank samples ranging between 2 and 9. In terms of predicting the adsorption gas, the performance of the models is ranked as follows: Amankwah model > Antonie model > Astakhov model > Dubinin model > Reid model. The Amankwah model exhibits the smallest average relative error and root mean square error. In addition, as burial depth increases, the influence of the pressure on methane adsorption decreases, while the significance of temperature increases, with the critical depth located around 1600 m. At depths shallower than the critical depth, adsorbed gas tends to preferentially accumulate and form reservoirs, which generally have lower commercial value. At depths deeper than the critical depth, free gas has the potential to form reservoirs. At this stage, gas reservoirs dominated by adsorbed gas start transitioning to those containing free gas. These findings are expected to deepen the understanding of deep coalbed methane and provide a scientific basis for exploration and development in the study area. [ABSTRACT FROM AUTHOR]

The pore-throat structure is a critical factor in the study of unconventional oil and gas reservoirs, drawing particular attention from petroleum geologists, and it is of paramount significance to analyze to enhance oil and gas production. In tight sandstone, which serves as a significant hydrocarbon reservoir, the internal pore-throat structure plays a decisive role in the storage and migration of fluids such as water, gases, and hydrocarbons. This paper employs casting thin section (CTS), field emission scanning electron microscope (FE-SEM), high-pressure mercury injection (HPMI), and low-temperature nitrogen gas adsorption (LT−N2−GA) experimental tests to qualitatively and quantitatively analyze the characteristics of the pore-throat structure in tight sandstone. The results indicate that the pore types in tight sandstone include intergranular residual pores, dissolution pores, intercrystalline pores, and microfractures, while the throat types encompass sheet-shaped, curved-sheet-shaped, and tubular throats. Analysis of the physical and structural parameters from 13 HPMI and 5 LT−N2−GA samples reveals a bimodal distribution of pore-throat radii. The complexity of the pore-throat structure is identified as a primary controlling factor for reservoir permeability. The fractal dimension (D) exhibits an average value of 2.45, displaying a negative correlation with porosity (R2 = 0.22), permeability (R2 = 0.65), the pore-throat diameter (R2 = 0.58), and maximum mercury saturation (R2 = 0.86) and a positive correlation with threshold pressure (R2 = 0.56), median saturation pressure (R2 = 0.49), BET specific surface area (R2 = 0.51), and BJH total pore volume (R2 = 0.14). As D increases, reservoir pores tend to decrease in size, leading to reduced flow and deteriorated physical properties, indicative of a more complex pore-throat structure. [ABSTRACT FROM AUTHOR]

SO2F2 and SOF2 are the main components from the decomposition of insulation gas SF6. Photoacoustic spectroscopy (PAS) has been acknowledged as an accurate sensing technique. Polar material adsorption for SO2F2 and SOF2 in the photoacoustic gas cell of PAS may affect detection efficiency. In this paper, the optical gas-cell dynamic adsorptions of four different materials and the detection effects on SO2F2 and SOF2 are theoretically analyzed and experimentally demonstrated. The materials, including grade 304 stainless steel (SUS304), grade 6061 aluminum alloy (Al6061), polyvinylidene difluoride (PVDC), and polytetrafluoroethylene (PTFE), were applied inside the optical gas cell. The results show that, compared with metallic SUS304 and Al6061, plastic PVDC and PTFE would reduce the gas adsorption of SO2F2 and SOF2 by 10 to 20% and shorten the response time during gas exchange. The complete gas defusing period in the experiment was about 30 s. The maximum variations of the 90% rising time between the different adsorption materials were approximately 3 s for SO2F2 and 6 s for SOF2, while the generated photoacoustic magnitudes were identical. This paper explored the material selection for PAS-based gas sensing in practical applications. [ABSTRACT FROM AUTHOR]

Infrared multispectral imaging technology can achieve the long-distance, wide-ranging and fast detection of target gas, and has been widely used in the fields of dangerous-gas detection and environmental monitoring. However, due to the difficulty in acquiring background radiation as well as atmospheric disturbance and noise interference in the detection process, the quantitative detection of gas concentration has become a difficult problem to solve. Therefore, this paper proposes an inversion method for gas column concentration based on infrared multispectral imaging technology. Firstly, infrared background radiation images of the non-target gas absorption spectrum band were collected and converted into background radiation images of the target gas absorption spectrum band according to the dual-channel mapping relationship. Then, combined with the gas radiation images of the target gas absorption spectrum band, the column concentration distribution of the gas was obtained by using the measured calibration relationship between absorbance and column concentration. Experiments of gas detection in different environments were carried out, and the column concentration distribution of the target gas was inverted using this method; the results showed that the average relative error of the inversion of the gas column concentration was 4.84%, which enables the quantitative detection of gas column concentration in a complex environment. [ABSTRACT FROM AUTHOR]

CO and HCHO are the main pyrolysis gases in long-term running dry-type reactors, and thus the diagnosis of thermal insulation faults inside such devices can be realized by sensing these gases. In this paper, a single Au atom-decorated WS2 (Au-WS2) monolayer is proposed as an original sensing material for CO or HCHO detection to evaluate the operation status of dry-type reactors. It was found that the Au atom prefers to be adsorbed at the top of the S atom of the pristine WS2 monolayer, wherein the binding force is calculated as −3.12 eV. The Au-WS2 monolayer behaves by chemisorption upon the introduction of CO and HCHO molecules, with the adsorption energies of −0.82 and −1.01 eV, respectively. The charge density difference was used to analyze the charge-transfer and bonding behaviors in the gas adsorptions, and the analysis of density of state as well as band structure indicate gas-sensing mechanisms. As calculated, the sensing responses of the Au-WS2 monolayer upon CO and HCHO molecule introduction were 58.7% and −74.4%, with recovery times of 0.01 s and 11.86 s, respectively. These findings reveal the favorable potential of the Au-WS2 monolayer to be a reusable and room-temperature sensing candidate for CO and HCHO detections. Moreover, the work function of the Au-WS2 monolayer was decreased by 13.0% after the adsorption of CO molecules, while it increased by 1.2% after the adsorption of HCHO molecules, which implies its possibility to be a work-function-based gas sensor for CO detection. This theoretical report paves the way for further investigations into WS2-based gas sensors in some other fields, and it is our hope that our findings can stimulate more reports on novel gas-sensing materials for application in evaluating the operation conditions of dry-type reactors. [ABSTRACT FROM AUTHOR]

Dispersive Fourier transform (DFT) has emerged as a powerful technique, enabling the transformation of spectral information from an optical pulse into a temporal waveform. This advancement facilitates the implementation of absorption spectroscopy using a single-pixel photodetector and a pulsed laser, particularly effective when operating on wavelengths near the absorption lines of the gas under study. This paper introduces a DFT-spectrometer employing a mode-locked tunable fiber laser with the central wavelength of 1531.6 nm. We demonstrate fast acquisition NH 3 absorption spectroscopy with a 0.2 nm spectral resolution, achieved through the utilization of the HITRAN database for estimating ammonia concentrations. Alongside the successful demonstration of NH 3 absorption spectroscopy, we explore practical limiting factors influencing the system's performance. Furthermore, we discuss potential avenues for enhancing sensitivity and spectral resolution, aiming to enable more robust and accurate gas sensing applications. [ABSTRACT FROM AUTHOR]

The employment of graphene for multifunctional uses has been a cornerstone in sensing technology. Due to its excellent electrochemical properties, graphene has been used in its pure and composite forms to detect target molecules over a wide range of surfaces. The adsorption process on the graphene-based sensors has been studied in terms of the change in resistance and capacitance values for various industrial and environmental applications. This paper highlights the performance of graphene-based sensors for detecting different kinds of domestic and industrial gases. These graphene-based gas sensors have achieved enhanced output in terms of sensitivity and working range due to specific experimental parameters, such as elevated temperature, presence of particular gas-specific layers and integration with specific nanomaterials that assist with the adsorption of gases. The presented research work has been classified based on the physical nature of graphene used in conjugation with other processed materials. The detection of five different types of gases, including carbon dioxide (CO2), ammonia (NH3), hydrogen sulphide (H2S), nitrogen dioxide (NO2) and ethanol (C2H5OH) has been shown in the paper. The challenges of the current graphene-based gas sensors and their possible remedies have also been showcased in the paper. [ABSTRACT FROM AUTHOR]

We demonstrate the successful implementation of an artificial neural network (ANN) to eliminate detrimental spectral shifts imposed in the measurement of laser absorption spectrometers (LASs). Since LASs rely on the analysis of the spectral characteristics of biological and chemical molecules, their accuracy and precision is especially prone to the presence of unwanted spectral shift in the measured molecular absorption spectrum over the reference spectrum. In this paper, an ANN was applied to a scanning grating-based mid-infrared trace gas sensing system, which suffers from temperature-induced spectral shifts. Using the HITRAN database, we generated synthetic gas absorbance spectra with random spectral shifts for training and validation. The ANN was trained with these synthetic spectra to identify the occurrence of spectral shifts. Our experimental verification unambiguously proves that such an ANN can be an excellent tool to accurately retrieve the gas concentration from imprecise or distorted spectra of gas absorption. Due to the global shift of the measured gas absorption spectrum, the accuracy of the retrieved gas concentration using a typical least-mean-squares fitting algorithm was considerably degraded by 40.3%. However, when the gas concentration of the same measurement dataset was predicted by the proposed multilayer perceptron network, the sensing accuracy significantly improved by reducing the error to less than ±1% while preserving the sensing sensitivity. [ABSTRACT FROM AUTHOR]

This paper aims to describe methane adsorption in coal under the conditions of high temperature and high pressure, as well as quantitatively decipher the change rule of energy in the isothermal adsorption process. The isothermal adsorption test was carried out with four groups of middle-rank coals from the Linxing area with different degrees of metamorphism. The impacts of the degree of deterioration of coal, temperature, and pressure on adsorption were analyzed with regard to the adsorption amount, adsorption potential, and adsorption space. Additionally, the energy change during the adsorption of methane by the coal was considered. The results show that the coal adsorption capacity hinges on the degree of deterioration of the coal, as well as the pressure and temperature. Additionally, the impact of temperature upon coal methane adsorption under depth conditions is highlighted. Like the adsorption space, the adsorption potential is an important parameter used to quantitatively characterize the adsorption ease and adsorption capacity; furthermore, the adsorption potential of millipores exceeds that of mesopores, as they are capable of offering a larger specific surface area for adsorption. The total decrease in the surface free energy during adsorption increases as the pressure increases; simultaneously, the increase rate is fast and then slow. The total decrease in the above-described free energy diminishes as the temperature escalates. Under the same pressure, the total decrease in the aforementioned free energy increases as the reflectance of the specular body of the coal increases. The decrease in the aforementioned free energy at each point of pressure lessens as the pressure grows; notably, when the pressure is comparatively low, the reduction is very fast. As the pressure escalates continuously, the decrease speed is slow. Regarding the effect of pressure and temperature upon adsorption, the adsorption gas volume of coal exists in a conversion depth from 1200 m to 1500 m; at the same time, the impact of pressure upon adsorption is dominant up to this depth. Additionally, beyond this depth, temperature gradually comes to have the greatest impact on adsorption. [ABSTRACT FROM AUTHOR]

This review discusses the most commonly employed methods for determining pore size and pore size distribution in bioaerogels. Aerogels are materials with high porosity and large surface areas. Most of their pores are in the range of mesopores, between 2 and 50 nm. They often have smaller or larger pores, which presents a significant challenge in determining the exact mean pore size and pore size distribution in such materials. The precision and actual value of the pore size are of considerable importance since pore size and pore size distribution are among the main properties of aerogels and are often directly connected with the final application of those materials. However, many recently published papers discuss or present pore size as one of the essential achievements despite the misinterpretation or the wrong assignments of pore size determination. This review will help future research and publications evaluate the pore size of aerogels more precisely and discuss it correctly. The study covers methods such as gas adsorption, from which BJH and DFT models are often used, SEM, mercury porosimetry, and thermoporometry. The methods are described, and the results obtained are discussed. The following paper shows that there is still no precise method for determining pore size distribution or mean pore size in aerogels until now. Knowing that, it is expected that this field will evolve in the future. [ABSTRACT FROM AUTHOR]

The idea of fluidised bed application allows a significantly increased heat transfer coefficient between adsorption bed and the surface of a heat exchanger, improving the performance of adsorption cooling and desalination systems [[11]]. The results confirmed the effect of the duration of adsorption and desorption on the COP and SCP of the adsorption chiller. The paper [[9]] presents experimental results of the metal-based and carbon nanotube additives influence on sorption kinetics of a silica-gel-based adsorption bed in an adsorption chiller. The authors in [[8]] conducted energy and exergy analyses of an adsorption chiller to investigate the effect of recooling-water temperatures on the cooling capacity and COP with variable cycle modes. [Extracted from the article]

A large and growing number of theoretical papers report the possible role of defects and heteroatoms on the chemical properties of single-layer graphene. Indeed, they are expected to modify the electronic structure of the graphene film, allow for chemisorption of different species, and enable more effective functionalisation. Therefore, from theoretical studies, we get the suggestion that single and double vacancies, Stone–Wales defects and heteroatoms are suitable candidates to turn nearly chemically inert graphene into an active player in chemistry, catalysis, and sensoristics. Despite these encouraging premises, experimental proofs of an enhanced reactivity of defected/doped graphene are limited because experimental studies addressing adsorption on well-defined defects and heteroatoms in graphene layers are much less abundant than theoretical ones. In this paper, we review the state of the art of experimental findings on adsorption on graphene defects and heteroatoms, covering different topics such as the role of vacancies on adsorption of oxygen and carbon monoxide, the effect of the presence of N heteroatoms on adsorption and intercalation underneath graphene monolayers, and the role of defects in covalent functionalisation and defect-induced gas adsorption on graphene transistors. [ABSTRACT FROM AUTHOR]

Cobalt molybdenum nitrides are one of the most promising ammonia-synthesis catalysts of the future. However, the selection of the optimal promoter composition is a challenging task. In this paper, the structure–property relationship of ternary cobalt molybdenum nitrides as ammonia synthesis catalysts promoted with potassium was studied. A series of catalysts containing 0.2–3.5 wt% potassium was analyzed by means of X-ray diffraction, volumetric gas adsorption, and activity tests in ammonia synthesis. The catalysts were subjected to thermal aging in the same catalytical reactor. The influence of the potassium promoter on the thermostability was determined. The observed loss of activity in catalysts with a high potassium content was related to the concentration of Co2Mo3N and Co3Mo3N phases, the mean crystallite sizes, the specific surface area, and the pore size distribution. [ABSTRACT FROM AUTHOR]

By combining thermal simulation experiments with core data, thin sections, scanning electron microscopy (SEM), source rock, and high-pressure mercury and gas adsorption analysis, this paper evaluates the properties and models of shale reservoirs in the upper fourth member and the lower third member of the Shahejie Formation in Dongying Sag and Zhanhua Sag. The results show that the oil shale is a high-quality source rock with petroleum generation potential. Inorganic mineral pores, organic pores, and fractures have developed with petroleum storage capacity. Clay and organic-rich soft shale lithofacies are interbedded with carbonate-rich hard shale lithofacies to form sandwich-type source–reservoir–caprock assemblages with internal sealing properties. Bitumen occurs mostly in the free state, and to a lesser extent is adsorbed, and shows flow characteristics. The migration resistance of the bitumen is displacement pressure, including capillary force and adsorption resistance, and the main force is pore fluid pressure. The migration modes of the bitumen include both subcritical flow and instantaneous flow, which are controlled by pore fluid pressure, displacement pressure, and the rock's fracture strength. Owing to the multi-scale characteristics of the shale reservoir space, a vein-type model of a multi-scale progressive transport network is developed that obeys Murray's law with a dominant migration pathway in the shale reservoir. The shale oil reservoir is a special lithologic reservoir controlled by the sedimentary environment and has self-generation, self-storage, and self-sealing characteristics with developed pore fluid overpressure and a multi-scale transport network. [ABSTRACT FROM AUTHOR]

Zinc hydroxyfluoride (ZnOHF) is a newly found resistive semiconductor used as a gas-sensing material with excellent selectivity to NO2 because of its unique energy band structure. In this paper, Al3+ doping and UV radiation were used to further improve the gas-sensing performance of ZnOHF. The optimized 0.5 at.% Al-ZnOHF sample exhibits improved sensitivity to 10 ppm NO2 at a lower temperature (100 °C) under UV assistance, as well as a short response/recovery time (35 s/96 s). The gas-sensing mechanism demonstrates that Al3+ doping increases electron concentration and promotes electron transfer of the nanorods by reducing the bandgap of ZnOHF, and the photogenerated electrons and holes with high activity under UV irradiation provide new reaction routes in the gas adsorption and desorption process, effectively promoting the gas-sensing process. The synergistic effect of Al3+ and UV radiation contribute to the enhanced performance of Al-ZnOHF. [ABSTRACT FROM AUTHOR]

Satellite remote sensing is currently the best monitoring means to obtain global carbon source and sink data. The United States, Japan, China and other countries are vigorously developing spaceborne detection technology. However, the important factors that restrict the application of greenhouse gas satellite remote sensing technology include the limited accuracy of data products. How to improve the retrieval level of greenhouse gas payloads is a problem that needs to be solved urgently. One effective way to improve data quality is to carry out satellite ground synchronous authenticity verification and system error correction. This paper mainly aims at the shortcomings of the existing TCCON and the portable verification equipment EM27/SUN, and develops a High-Resolution Fourier Transform Spectrometer (HRFTS) based on dynamic collimation technology. Through the gas absorption method and the band scanning method of the hyperspectral monochromatic light source, the instrument's absorption spectrum measurement capability and the Instrument Line Shape (ILS) are demonstrated. The instrument's spectral resolution is consistent with the on-orbit greenhouse gas satellite load, reaching 0.26 cm−1. For the interference data obtained by the spectrometer, spectral restoration processing, data quality control and inversion algorithm optimization were carried out to solve the problems of baseline correction, spectral fine registration, and environmental parameter profile reconstruction, and cross comparison experiments with EM27/SUN were carried out simultaneously. Finally, for the gases monitoring instrument (GMI) of the GF5-02 satellite launched on 7 September 2021, the first satellite ground synchronization verification experiment with high space-time matching was carried out. The results showed that the CO2 column concentration deviation of the satellite ground synchronization inversion was about 1.5 ppm, and the CH4 column concentration deviation was about 11.3 ppb, which verified the on-orbit detection accuracy of the GMI, and laid a foundation for the subsequent satellite inversion algorithm optimization and systematic error correction. [ABSTRACT FROM AUTHOR]

Sulfuryl fluoride (SO2F2) is a toxic and potent greenhouse gas that is currently widely used as a fumigant insecticide in houses, food, and shipping containers. Though it poses a major hazard to humans, its detection is still carried out manually and only on a random basis. In this paper, we present a two-chamber photoacoustic approach for continuous SO2F2 sensing. Because of the high toxicity of SO2F2, the concept is to use a non-toxic substituent gas with similar absorption characteristics in the photoacoustic detector chamber, i.e., to measure SO2F2 indirectly. The refrigerants R227ea, R125, R134a, and propene were identified as possible substituents using a Fourier-transform infrared (FTIR) spectroscopic analysis. The resulting infrared spectra were used to simulate the sensitivity of the substituents of a photoacoustic sensor to SO2F2 in different concentration ranges and at different optical path lengths. The simulations showed that R227ea has the highest sensitivity to SO2F2 among the substituents and is therefore a promising substituent detector gas. Simulations concerning the possible cross-sensitivity of the photoacoustic detectors to H2O and CO2 were also performed. These results are the first step towards the development of a miniaturized, sensitive, and cost-effective photoacoustic sensor system for SO2F2. [ABSTRACT FROM AUTHOR]

Previous studies have shown that the pollutants in exhaust gas can cause performance deterioration in air-fuel oxygen sensors. Although the content of Pb in fuel oil is as low as 5 mg/L, the effect of long-term Pb accumulation on TiO2 oxygen sensors is still unclear. In this paper, the influence mechanism of Pb-containing additives in automobile exhaust gas on the response characteristics of TiO2 oxygen sensors was simulated and studied by depositing Pb-containing pollutants on the surface of a TiO2 sensitive film. It was found that the accumulation of Pb changed the surface gas adsorption state and reduced the activation energy of TiO2, thus affecting the steady-state response voltage and response speed of the TiO2-based oxygen sensor. [ABSTRACT FROM AUTHOR]

The preparation of the wavelength-scale micropores on metallic surfaces is limited by the high opacity of metal. At present, most micropores reported in the literature are more than 20 µm in diameter, which is not only large in size, but renders them inefficient for processing so that it is difficult to meet the needs of some special fields, such as aerospace, biotechnology, and so on. In this paper, the rapid laser fabrications of the wavelength-scale micropores on various metallic surfaces are achieved through femtosecond MHz burst Bessel beam ablation. Taking advantage of the long-depth focal field of the Bessel beam, high-density micropores with a diameter of 1.3 µm and a depth of 10.5 µm are prepared on metal by MHz burst accumulation; in addition, the rapid fabrication of 2000 micropores can be achieved in 1 s. The guidelines and experimental results illustrate that the formations of the wavelength-scale porous structures are the result of the co-action of the laser-induced periodic surface structure (LIPSS) effect and Bessel beam interference. Porous metal can be used to store lubricant and form a lubricating layer on the metallic surface, thus endowing the metal resistance to various liquids' adhesion. The microporous formation process on metal provides a new physical insight for the rapid preparation of wavelength-scale metallic micropores, and promotes the application of porous metal in the fields of catalysis, gas adsorption, structural templates, and bio-transportation fields. [ABSTRACT FROM AUTHOR]

Shale gas occurs mainly as adsorption and free gas. Among them, whether the adsorbed gas can be gradually desorbed or not is a major cause of stable and high yield. The matrix component is the main factor affecting the adsorption capacity of shale. In this paper, by simulation software named Materials Studio (MS), using Molecular Dynamics Simulation and Monte Carlo Simulation, the adsorption capacity of different matrix components under specific conditions is studied and the four models: relative concentration model, diffusion coefficient model, saturated adsorption capacity model and isosteric heat of adsorption model, are built. The simulation models show that the mineral matrix has a significant impact on the adsorption of methane molecules in shale: kerogen I > smectite > chlorite > illite > quartz. Kerogen I has the strongest adsorption capacity with high-density thick layer adsorption. Under the temperature (369.97 K) and the formation pressure (28.07 MPa) and under the condition of 6.0 nm in the cylindrical hole, excess adsorption amount of kerogen I is 13.418%, the diffusion coefficient is only 0.046 Å2/ps, saturated adsorption amount is 3.060 cm3/g, and the amount of adsorption heat is 9.598 kJ/mol. As the adsorption force on the pore wall is not as strong as the interaction repulsion force between adsorbents within a short distance, the clay minerals all have 2~4 layers of narrow layer and low-density adsorption. The adsorption thickness of the single layer is inversely proportional to its adsorption capacity, and the adsorption capacity is positively correlated with the opportunity of exposing oxygen atoms to form hydrogen bonds. Quartz has no obvious adsorption potential for methane molecules. This study is conducive to the quantitative evaluation of shale gas adsorption capacity, selection of favorable blocks and advantageous zones of shale gas reservoirs, and the improvement of development efficiency. [ABSTRACT FROM AUTHOR]

With a purpose of extending the application of β-cyclodextrin (β-CD) for gas adsorption, this paper aims to reveal the pore formation mechanism of a promising adsorbent for CO2 capture which was derived from the structural remodeling of β-CD by thermal activation. The pore structure and performance of the adsorbent were characterized by means of SEM, BET and CO2 adsorption. Then, the thermochemical characteristics during pore formation were systematically investigated by means of TG-DSC, in situ TG-FTIR/FTIR, in situ TG-MS/MS, EDS, XPS and DFT. The results show that the derived adsorbent exhibits an excellent porous structure for CO2 capture accompanied by an adsorption capacity of 4.2 mmol/g at 0 °C and 100 kPa. The porous structure is obtained by the structural remodeling such as dehydration polymerization with the prior locations such as hydroxyl bonded to C6 and ring-opening polymerization with the main locations (C4, C1, C5), accompanied by the release of those small molecules such as H2O, CO2 and C3H4. A large amount of new fine pores is formed at the third and fourth stage of the four-stage activation process. Particularly, more micropores are created at the fourth stage. This revealed that pore formation mechanism is beneficial to structural design of further thermal-treated graft/functionalization polymer derived from β-CD, potentially applicable for gas adsorption such as CO2 capture. [ABSTRACT FROM AUTHOR]

Cyanide gas is highly toxic and volatile and is among the most typical toxic and harmful pollutants to human health and the environment found in industrial waste gas. In the military context, cyanide gas has been used as a systemic toxic agent. In this paper, we review cyanide gas elimination methods, focusing on adsorption and catalysis approaches. The research progress on materials capable of affecting cyanide gas adsorption and catalytic degradation is discussed in depth, and the advantages and disadvantages of various materials are summarized. Finally, suggestions are provided for future research directions with respect to cyanide gas elimination materials. [ABSTRACT FROM AUTHOR]

Heat treatment on shale reservoirs can promote the development of secondary fractures in a matrix on the basis of hydraulic fracturing, forming multi-scale gas–water seepage channels and strengthening the gas desorption. Experimental evidence shows that heat treatment can enhance gas recovery in the same mining life. Heat treatment on a shale gas reservoir is a multi-physical and multi-phase coupling process. However, how the thermal stimulation interacts with nonlinear two-phase flow in heterogeneous shale volume fracturing has not been clear. In this paper, a fully coupled THGM model for heating-enhanced shale-gas recovery in heterogeneous shale reservoirs is proposed. First, the governing equations are formulated for the shale-reservoir deformation involving both gas adsorption and thermal expansion, the permeability evolution model for the cracking process of fractured shale, the gas–water two-phase continuity equation considering the effects of gas solubility and the heat transfer equation for heat conduction and convection. The interactions among stress, temperature and seepage in a heterogeneous shale reservoir were studied. Secondly, a test on shale permeability after 50 °C temperature treatment was conducted. The evolution of temperature, capillary pressure, water and gas saturation and the permeability of shale during the heat treatment of the reservoir were numerically analyzed. Finally, the gas production from a shale gas reservoir was numerically simulated with this THGM model. The numerical results indicated that the thermal-induced fracturing, gas desorption and separation from water make predominant contributions to the evolution of permeability. The heat treatment can enhance cumulative gas production by 58.7% after 27.4 years of heat injection through promoting gas desorption and matrix diffusion. [ABSTRACT FROM AUTHOR]

The developing significance of adsorption has brought about a steadily expanding quantity of logical and innovative writing on different adsorbents. This paper intends to propose experimental and computational methods for measuring the strength of adsorbate–solid interactions. It primarily focuses on the use of graphs to measure the effectiveness of an adsorbate's bonds with the solid adsorbent by determining the isosteric heat. The Clausius–Clapeyron model equation is used to determine the isosteric enthalpy of adsorption from two adsorption isotherms at various but close temperatures, with ΔT of 10 °C. A full computational explanation of the Clausius–Clapeyron model equation for determining ΔHads is provided using experimental data. Logarithmic plots of uptakes vs. p in the low-pressure zone for the Freundlich–Langmuir graph are used to assess and confirm the quality of the crucial underlying isotherms. The isosteric heat was found to be between 13.5 kJ/mol and 16 kJ/mol. [ABSTRACT FROM AUTHOR]

In this paper, the first-principles theory is used to explore the adsorption behavior of Ni catalyst decorated PtSe2 (Ni-PtSe2) monolayer toward the dissolved gas in transformer oil, namely CO and C2H2. Some Ni atoms from the catalyst are trapped in the Se vacancy on the pure PtSe2 surface. The geometry configurations of Ni-PtSe2 monolayer before and after gas adsorption, the electronic property of Ni-PtSe2 monolayer upon gas adsorption, and the sensibility and recovery property of Ni-PtSe2 monolayer are explored in this theoretical work. Through the simulation, the E ad of CO and C2H2 gas adsorption systems are calculated as −1.583 eV and −1.319 eV, respectively, both identified as chemisorption and implying the stronger performance of the Ni-PtSe2 monolayer on CO molecule, which is further supported by the DOS and BS analysis. According to the formula, the sensitivity of Ni-PtSe2 monolayer towards CO and C2H2 detection can reach up to 96.74% and 99.91% at room temperature (298 K), respectively, which manifests the favorable sensing property of these gases as a chemical resistance-type sensor. Recovery behavior indicates that the Ni-PtSe2 monolayer is a satisfied gas scavenger upon the noxious gas dissolved in transformer oil, but its recovery time at room temperature is not satisfactory. To sum up, we monitor the status of the transformer to guarantee the stable operation of the power system through the Ni-PtSe2 monolayer upon the detection of CO and C2H2, which may realize related applications, and provide the basis and reference to cutting-edge research in the field of electricity in the future. [ABSTRACT FROM AUTHOR]

In this paper, the combination of using an anti-resonant hollow-core fiber (ARHCF), working as a gas absorption cell, and an inexpensive, commercially available watch quartz tuning fork (QTF), acting as a detector in the quartz-enhanced photothermal spectroscopy (QEPTS) sensor configuration is demonstrated. The proof-of-concept experiment involved the detection of methane (CH4) at 1651 nm (6057 cm−1). The advantage of the high QTF Q-factor combined with a specially designed low-noise amplifier and additional wavelength modulation spectroscopy with the second harmonic (2f-WMS) method of signal analysis, resulted in achieving a normalized noise-equivalent absorption (NNEA) at the level of 1.34 × 10−10 and 2.04 × 10−11 W cm−1 Hz−1/2 for 1 and 100 s of integration time, respectively. Results obtained in that relatively non-complex sensor setup show great potential for further development of cost-optimized and miniaturized gas detectors, taking advantage of the combination of ARHCF-based absorption cells and QTF-aided spectroscopic signal retrieval methods. [ABSTRACT FROM AUTHOR]

In this paper, the adsorption behaviors of three gases (H2, CO, and C2H2) decomposed by the transformer oil on Pd-GaSe and Pd3-GaSe monolayers were calculated by density functional theory. Compared with Pd single-atom doping, Pd3 cluster doping changed the original structure and charge distribution to a greater extent, and more obviously improved the conductivity. According to the analysis of adsorption energy, charge transfer and deformation charge density, the results show that the two doped structures have better adsorption performance for the three gas molecules (H2, CO, and C2H2) than the intrinsic GaSe monolayer. Compared with Pd-GaSe, Pd3-GaSe showed stronger adsorption property for the three gases. Analysis of frontier molecular orbitals and recovery characteristics shows that Pd3-GaSe can be used as an ideal gas sensitive material for H2 detection because of its good desorption properties and obvious conductivity changes. Pd-GaSe can be used as a disposable resistive sensor for CO. Pd3-GaSe is a kind of sensing material suitable for disposable resistance sensors for CO and C2H2. These two doped structures have great application potential in gas adsorption and detection, and provide indications for further study on gas sensor detection by means of metal-doped GaSe monolayer. [ABSTRACT FROM AUTHOR]

This paper focuses on the fabrication of defective-induced nanotubes via the catalytic chemical vapor deposition method and the investigation of their properties toward gas sensing. We have developed defective multi-walled carbon nanotubes with porous and crystalline structures. The catalyst layer used in CNTs' growth here was based on 18 and 24 nm of Ni, and 5 nm of Cr deposited by the dc-sputtering technique. The CNTs' defects were characterized by observing the low graphite peak (G-band) and higher defect peaks (D-band) in the Raman spectrum. The defectives sites are the main source of the sensitivity of materials toward different gases. Thus, the current product was used for sensing devices. The device was subjected to various gases such as NO, NO2, CO, acetone, and ethanol at a low operating temperature of 30 °C and a concentration of 50 ppm. The sensor was observed to be less sensitive to most gas while showing the highest response towards ethanol gas. The sensor showed the highest response of 8.8% toward ethanol at 30 °C of 50 ppm, and a low response of 2.8% at 5 ppm, which was investigated here. The signal repeatability of the present sensor showed its capability to detect ethanol at much lower concentrations and at very low operating temperatures, resulting in reliability and saving power consumption. The gas sensing mechanism of direct interaction between the gas molecules and nanotube surface was considered the main. We have also proposed a sensing mechanism based on Coulomb dipole interaction for the physical adsorption of gas molecules on the surface. [ABSTRACT FROM AUTHOR]

The fabrication of molecular gas sieving materials with specific affinities for a single gas species and able to store large quantities of materials at a low or atmospheric pressure is desperately required to reduce the adverse effects of coal and oil usage in carbon capture. Fundamental understanding of the dynamic adsorption of gas, the diffusion mechanisms across thin film membranes, and the impact of interfaces play a vital role in developing these materials. In this work, single gas permeation tests across micro-porous membrane materials, based on metal organic framework crystals grown on the surface of carbon nanotubes (ZiF-8@CNT), were performed for the first time in-situ at the Australian Synchrotron on the small angle X-ray scattering beamline in order to reveal molecular sieving mechanisms and gas adsorption within the material. The results show that specific chemi-sorption of CO2 across the ZiF-8 crystal lattices affected the morphology and unit cell parameters, while the sieving of other noble or noble like gases across the ZiF-8@CNT membranes was found to largely follow Knudsen diffusion. This work demonstrates for the first time a novel and effective technique to assess molecular diffusion at the nano-scale across sub-nano-porous materials by probing molecular flexibility across crystal lattice and single cell units. [ABSTRACT FROM AUTHOR]

In the process of coal mining, coal and gas outburst is one of the most severe disasters, which is accompanied by the outbursts of CO2, CH4, N2, and other gases. Since the intensity of the outburst is affected by the adsorption characteristics of different gases, the study of the adsorption characteristics of multi-gas in the coal body is of great significance for the prevention and control of coal and gas dynamical outbursts in coal mining. In this paper, the self-developed adsorption-instantaneous pressure relief test system for gas-containing coal was used to study the damage characteristics of multi-gas in briquette adsorption-instantaneous pressure relief and to characterize coal adsorption expansion deformation and instantaneous pressure relief deformation quantitatively. The results showed that under the same temperature and pressure conditions, the adsorption expansion deformation capacities of different gases were in the order of CO2 > CH4 > N2. With the increasing pressure of pressure relief, the damage of the coal body tended to be more significant. Although the briquette exhibited isotropic mechanical properties, the process of adsorption expansion deformation was not completely consistent with the isotropy of deformation, in which the axial strain was slightly larger than the radial strain. Moreover, it was found that the adsorption equilibrium time was positively correlated with gas pressure and gas adsorption characteristics. [ABSTRACT FROM AUTHOR]

Dissolved gas analysis (DGA) is a vital method for the online detection of transformer operation state. The adsorption performance of a SnP3 monolayer modified by transition metal Cr regarding six characteristic gases (CO, C2H4, C2H2, CH4, H2, C2H6) dissolved in oil was studied. The study reveals the relevant adsorption and gas-sensing response mechanisms through calculations of the adsorption energy, density of states, differential charge density, energy gap, and recovery time. The results display a considerable increase in the adsorption effect of the Cr-SnP3 monolayer on six gases. The CO, C2H2, and C2H4 gases lead to chemical adsorption, and the CH4, H2, and C2H6 gases lead to physical adsorption. Combined with the recovery time, the Cr-SnP3 monolayer has a strong adsorption effect on CO and C2H2 gases at normal temperatures and even high temperatures, and the adsorption is stable. C2H4 gas can be rapidly desorbed from the Cr-SnP3 monolayer at 398 K. Therefore, the Cr-SnP3 monolayer can be expected to serve as a CO and C2H2 gas adsorbent and a resistive gas sensor for C2H4 gas. This research offers a theoretical foundation for the development of the Cr-SnP3 monolayer in gas-sensitive materials. [ABSTRACT FROM AUTHOR]

This study investigates the modeling and experimental validation of cell morphology in microcellular-foamed polycaprolactone (PCL) using supercritical carbon dioxide (scCO2) as the blowing agent. The microcellular foaming process (MCP) was conducted using a solid-state batch foaming process, where PCL was saturated with scCO2 at 6 to 9 MPa and 313 K, followed by depressurization at a rate of −0.3 and −1 MPa/s. This study utilized the Sanchez–Lacombe equation of state and the Peng–Robinson–Stryjek–Vera equation of state to model the solubility and density of the PCL-CO2 mixture. Classical nucleation theory was modified and combined with numerical analysis to predict cell density, incorporating factors such as gas absorption kinetics, the role of scCO2 in promoting nucleation, and the impact of depressurization rate and saturation pressure on cell growth. The validity of the model was confirmed by comparing the theoretical predictions with experimental and reference data, with the cell density determined through field-emission scanning electron microscopy analysis of foamed PCL samples. This study proposes a method for predicting cell density that can be applied to various polymers, with the potential for wide-ranging applications in biomaterials and industrial settings. This research also introduces a Python-based numerical analysis tool that allows for easy calculation of solubility and cell density based on the material properties of polymers and penetrant gases, offering a practical solution for optimizing MCP conditions in different contexts. [ABSTRACT FROM AUTHOR]

The pore fracture structure of deep coal reservoirs is crucial for evaluating the potential of deep coalbed methane resources, conducting exploration and development, and controlling coal mine gas disasters. Mercury intrusion porosimetry, the liquid nitrogen method, and the low-temperature carbon dioxide adsorption method were used to study the full pore size structure and pore fractal characteristics of different coal grades in deep coal and comprehensively characterize the pore structure of kilometer-level coal mining. The sponge, Frenkel–Halsey–Hill (FHH), and density function models were applied to comprehensively analyze the pore complexity of coal, and the influence of metamorphic degree on pore size structure was evaluated. The distribution relationship of pore volume in different stages of coal samples was macropore→mesopore→micropore, and macropores had the best connectivity. Micropores and mesopores had the largest specific surface area, and the development of micropores and microcracks controlled the deep gas adsorption performance. The micropore volume and specific surface area both revealed a nonlinear decreasing trend with the increase in volatile matter, and coal metamorphism promoted the development of micropores. The pore volume and specific surface area of mesopores and macropores decreased first and then increased in a "U" shape with increasing volatile matter. In contrast, the fractal dimension D1 revealed an inverted U shape with increasing volatile matter, followed by a decrease. The D2 value decreased nonlinearly with increasing volatile matter, whereas the D3 value increased nonlinearly with increasing volatile matter. The degree of metamorphism increased, and the microporous structure became more regular. [ABSTRACT FROM AUTHOR]

A system combining gas-phase oxidation and liquid-phase collision absorption for removing NO from marine diesel engine exhaust was proposed. This method was the first to utilize different physical states of the same mixed solution to achieve both pre-oxidation and impingement reduction absorption of exhaust gases. During the pre-oxidation stage, a mixture of (NH4)2S2O8 and urea solution was atomized into a spray using an ultrasonic nebulizer to increase the contact area between the oxidant and the exhaust gas, thereby efficiently pre-oxidizing the exhaust gas in the gas phase. In the liquid-phase absorption stage, the (NH4)2S2O8 and urea solution was used in an impingement absorption process, which not only enhanced gas–liquid mass transfer efficiency but also effectively inhibited the formation of nitrates. Experimental results showed that, without increasing the amount of absorbent used, the maximum NO removal efficiency of this method reached 97% (temperature, 343 K; (NH4)2S2O8 concentration, 0.1 mol/L; urea concentration, 1.5 mol/L; NO concentration, 1000 ppm; pH, 7; impinging stream velocity, 15 m/s), compared to 72% using the conventional liquid-phase oxidation absorption method. Additionally, this method required only the addition of a nebulizer and two opposing nozzles to the existing desulfurization tower to achieve simultaneous removal of sulfur and nitrogen oxides from the exhaust gas, with low retrofitting costs making it favorable for practical engineering applications. [ABSTRACT FROM AUTHOR]

A transition metal (TM) doped InN monolayer has demonstrated with superior behavior for gas adsorption and sensing. For this paper, we studied the adsorption behavior of a Pd-doped InN (Pd-InN) monolayer upon CO and NO using the first-principles theory. Our results show that the Pd-InN monolayer has a stronger interaction with the CO molecule, compared with the NO molecule, with larger adsorption energy of 2.12 eV, compared to −1.65 eV. On the other hand, the Pd-InN monolayer undergoes more obvious deformation of the electronic behavior in the NO system, making the surface become semimetallic with a 0 eV band gap. Thus, the Pd-InN monolayer could be a promising candidate as a resistance-type sensor for NO detection and as a gas adsorbent for CO removal. We are hopeful that this work can offer the basic physicochemical properties and potential applications of the Pd-InN monolayer, which is beneficial for its further exploration in many fields. [ABSTRACT FROM AUTHOR]

The increase in emissions of toxic gasses such as hydrogen sulfide (H2S) and carbon dioxide (CO2), resulting from growing urbanization and industrialization, has caused environmental and public health problems, making the implementation of air purification techniques through adsorption important. Thus, modeling the gas adsorption process is fundamental for good agreement with experimental data, employing mathematical models that enable the prediction of adsorption capacity. In this way, the present work aimed to compare different analytical breakthrough curve models (Thomas, Yoon–Nelson, Adams–Bohart, and Yan) for the adsorption of H2S and CO2 in fixed-bed columns, using experimental data from the literature, estimating the curve parameters through the Markov Chain Monte Carlo (MCMC) method with the Metropolis–Hastings algorithm, and ranking using the determination coefficients (R2 and R2Adjusted) and the Bayesian Information Criterion (BIC). The models showed better agreement using the estimation of maximum adsorption capacity (qs, N0) and the constants of each model (kth, kyn, and kba). In the adsorption of H2S, the Yan model stood out for its precision in estimating qs. For the adsorption of CO2, the Adams–Bohart model achieved better results with the estimation of N0, along with the Yoon–Nelson model. Furthermore, the use of this method allows for a reduction in computational effort compared to models based on complex differential equations. [ABSTRACT FROM AUTHOR]

To further study the reservoir characteristics and adsorption capacity of the Taiyuan Formation shale in the South North China Basin (SNCB), the pore structure and adsorption capacity of shale are discussed using various analysis tests, including elemental geochemistry, organic geochemistry, mineral composition, low-temperature nitrogen adsorption (LTNA), and methane adsorption experiments. The results indicate that the Taiyuan Formation shale formed in a poor oxygen and anaerobic sedimentary environment in still water. The average value of total organic carbon (TOC) content is 2.37%. The organic matter type mainly consists of type III kerogen. The vitinite reflectance (Ro) ranges from 3.11% to 3.50%. The clay mineral content varies greatly, averaging at 40.7%, while the quartz content averages at 37.7%. The Taiyuan Formation shale mainly develops interparticle (InterP) pores, followed by organic pores, intraparticle (IntraP) pores, solution pores, and microfractures. BET specific surface area (SSA) is between 9.47 m2/g and 22.14 m2/g, while pore volume (PV) ranges from 0.0098 cm3/g to 0.022 cm3/g, indicating favorable conditions for shale gas storage. According to the results of the CH4 adsorption experiment, Langmuir volume from Taiyuan Formation shales exhibits 1.35~4.30 cm3/g, indicating excellent adsorption capacity. TOC content shows a positive correlation with both Langmuir volume and BET SSA from Taiyuan Formation shales, suggesting that TOC plays a crucial role in controlling microscopic pores and gas adsorption capacity. Organic matter enhances the shale adsorption capacity by providing abundant pore SSA. Due to formation compaction, the pore size of clay minerals decreases, leading to an increase in pore SSA, while kaolinite exhibits weak hydrophilic ability. Consequently, with the increase in clay minerals and kaolinite content, the shale adsorption capacity is enhanced to a certain extent. However, an increase in the carbonate mineral content may result in a decrease in the proportion of clay minerals, therefore reducing the CH4 adsorption capacity of shale. [ABSTRACT FROM AUTHOR]

The physical characteristics of coal reservoirs are important factors affecting the occurrence status of coalbed methane, as well as key factors restricting the production capacity. Therefore, taking 3# coal in Qinnan region of China as the research object, based on the actual production data of 200 coalbed methane wells in the research area, experimental testing combined with simulation analysis was used to explore the physical properties of medium and high-order reservoirs and their impact on the occurrence and production of coalbed methane. The characteristics of coalbed methane reservoir formation and production capacity changes in the research area were revealed, and the factors restricting the production capacity of coalbed methane wells were calculated using the gray correlation analysis method. The results indicate that the micropores in the coal reservoir in the study area are well-developed, while the macropores and mesopores (exogenous fractures) are underdeveloped, the surface of the micropores is complex, and the connectivity of the micropores is poor, resulting in reservoirs with high gas adsorption characteristics and low permeability. The fractal characteristics of pores and fractures can reflect the permeability characteristics of reservoirs. Permeability is positively correlated with macropores (exogenous fractures) and mesopores, and negatively correlated with micropores. There is a positive correlation between permeability and productivity, and the reservoir in the study area has a stress-sensitive boundary. The main factors restricting productivity under the complex pore and fracture system of high-rank coal reservoir were identified, and the gray relational analysis method was used to evaluate the development effect of the research area. This study provides guidance for the development of coalbed methane production in high-rank coal reservoirs. [ABSTRACT FROM AUTHOR]

The shale of different potential layers is studied by using rock pyrolysis analysis, total organic carbon determination (TOC), kerogen microscopic component identification, mineral X-ray diffraction, scanning electron microscopy, and low-temperature nitrogen adsorption experiments. The results are as follows: (1) Shishui Formation of the Lower Carboniferous and Longtan Formation of the Upper Permian are the two most important shale gas reservoirs in the Chenlei Depression. The sedimentary environment of the target shale is a marine land interaction facies coastal bay lagoon swamp sedimentary system. Two sedimentary facies of tidal flat facies, subtidal zone, and lagoon swamp facies are developed. (2) The organic matter types of shale are Type III and II2, with TOC content greater than 1%. The maturity of shale samples is relatively higher (Ro,max is above 2%), which means they have entered the stage of large-scale gas generation. The overall brittle mineral content of the target shale sample is relatively higher (above 40%), which is conducive to artificial fracturing and fracture formation in the later stage, while an appropriate amount of clay minerals (generally stable at 40%) is conducive to gas adsorption. (3) The overall pore structure of the water measurement group and Longtan group is good, with a higher specific surface area and total pore volume (average specific surface area is 12.21 and 8.36 m2/g, respectively), which is conducive to the occurrence of shale gas and has good adsorption and storage potential. The gas content of the water measurement group and the Longtan Formation varies from 0.42 to 5 cm3/g, with an average of 2.1 cm3/g. It indicates that the water measurement group and the Longtan Formation shale gas in the study area have good resource potential. [ABSTRACT FROM AUTHOR]

The Qinshui Basin is located in the southeast of Shanxi Province, China. It is one of the most abundant coal resources from Permo-Carboniferous North China. It is rich in coal and coalbed methane resources. However, the accumulation of coalbed methane is complex and the enrichment law has not been fully understood because of the high heterogeneity of coal reservoirs in the Qinshui Basin. The examination of dissimilarities between tectonically deformed coals (TDCs) and primary coals at multiple scales holds paramount importance in advancing our understanding of the occurrence and flow patterns of coalbed methane, and in providing guidance for exploration efforts. In the present study, the samples from the Jincheng Mine, Qinshui Basin, were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), mercury intrusion porosimetry (MIP), CO2 gas adsorption and 3D X-ray micro-computed tomography. The results showed that the dominant minerals in coal were illite, kaolinite, and calcite, with minor amounts of quartz and ankerite. In comparison to primary coal, tectonism could increase the microfractures density of type A (the fracture of width ≥ 5 μm and length > 10 mm) in TDCs. In CO2 gas adsorption in mylonite coal, it was observed that the volume of micropores (<2 nm) was significantly reduced leading to a decrease in gas adsorption capacity. The result of Micro-CT scanning revealed that the minerals occurred as veins in primary coal, but as irregular aggregates in TDCs. Moreover, tectonism had a staged impact on fracture structure, which was initially closed in cataclastic coal and then formed into granulated coal during the tectonic evolution. The effects of tectonism on coal structure had an impact on the connectivity of micropores at the micrometer scale by the destruction of the pore throat structure, increasing the heterogeneity of the reservoir. These findings help to better understand the changes in TDC structure at different scales for developing effective strategies for coalbed methane exploration and production. [ABSTRACT FROM AUTHOR]

Tunable laser spectroscopy (TLS) with infrared (IR) imaging is a powerful tool for gas leak detection. This study focuses on direct absorption spectroscopy (DAS) that utilizes wavelength modulation to extract gas information. A tunable interband cascade laser (ICL) with an optical power of 5 mW is periodically modulated by a sawtooth injection current at 10 Hz across the methane absorption around 3271 nm. A fast and sensitive thermal imaging camera for the mid-infrared range between 3 and 5.7 µm is operated at a frame rate of 470 Hz. Offline processing of image stacks is performed using different algorithms (DAS-F, DAS-f and DAS-2f) based on the Lambert–Beer law and the HITRAN database. These algorithms analyze various features of gas absorption, such as area (F), peak (f) and second derivative (2f) of the absorbance. The methane concentration in ppm*m is determined on a pixel-by-pixel analysis without calibration. Leak localization for methane leak rates as low as 0.25 mL/min is accurately displayed in a single concentration image with pixelwise sensitivities of approximately 1 ppm*m in a laboratory environment. Concentration image sequences represent the spatiotemporal dynamics of a gas plume with high contrast. The DAS-2f concept demonstrates promising characteristics, including accuracy, precision, 1/f noise rejection, simplicity and computational efficiency, expanding the applications of DAS. [ABSTRACT FROM AUTHOR]

AlGaN/GaN high-electron-mobility transistors (HEMTs) are widely used in high-frequency and high-power applications owing to the high two-dimensional electron gas (2DEG) concentration. However, the microscopic origin of the 2DEG remains unclear. This hinders the development of device fabrication technologies, such as threshold voltage modulation, current collapse suppression, and 2DEG concentration enhancement technologies, as well as AlGaN/GaN sensors with very high sensitivity to polar liquids. To clarify the 2DEG microscopic origin, we studied the effects of gas molecules on AlGaN/GaN surfaces through various experiments and first-principles calculations. The results indicated that the adsorption of gas molecules on the AlGaN/GaN surface is an important phenomenon, clarifying the microscopic origin of the 2DEG. This study elucidates the properties of AlGaN/GaN heterojunctions and promotes the development of new fabrication technologies for AlGaN/GaN devices. [ABSTRACT FROM AUTHOR]

Nanoporous materials, such as metal-organic frameworks (MOFs), are renowned for their high selectivity as gas adsorbents due to their specific surface area, nanoporosity, and active surface chemistry. A significant challenge for their widespread application is reduced gas uptake in wet conditions, attributed to competitive adsorption between gas and water. Recent studies of gas adsorption in wet materials have typically used small amounts of powdered porous materials (in the milligram range) within very small reactors (1–5 mL). This leaves a gap in knowledge about gas adsorption behaviors in larger reactors and with increased MOF sample sizes (to the gram scale). Additionally, there has been a notable absence of experimental research on MOFs heavily saturated with water. In this study, we aimed to fill the gaps in our understanding of gas adsorption in wet conditions by measuring CH4 adsorption in MOFs. To do this, we used larger MOF samples (in grams) and a large-volume reactor. Our selection of commercially available MOFs, including HKUST-1, ZIF-8, MOF-303, and activated carbon, was based on their widespread application, available previous research, and differences in hydrophobicity. Using a volumetric approach, we measured high-pressure isotherms (at T = 274.15 K) to compare the moles of gas adsorbed under both dry and wet conditions across different MOFs and weights. The experimental results indicate that water decreases total CH4 adsorption in MOFs, with a more pronounced decrease in hydrophilic MOFs compared to hydrophobic ones at lower pressures. However, hydrophilic MOFs exhibited stepped isotherms at higher pressures, suggesting water converts to hydrate, positively impacting total gas uptake. In contrast, the hydrophobic ZIF-8 did not promote hydrate formation due to particle aggregation in the presence of water, leading to a loss of surface area and surface charge. This study highlights the additional challenges associated with hydrate-MOF synergy when experiments are scaled up and larger sample sizes are used. Future studies should consider using monolith or pellet forms of MOFs to address the limitations of powdered MOFs in scale-up studies. [ABSTRACT FROM AUTHOR]

In this work, a numerical study on the loop-terminated Mach–Zehnder interferometer (LT-MZI) structure for CO2 gas sensing applications is carried out via the finite element method. The sensing arm is covered with a polyhexamethylene biguanide (PHMB) polymer which is highly receptive to CO2 gas. The refractive index of the host material decreases due to the absorption of the CO2 gas resulting in a shift in the interference pattern of the LT-MZI structure. As a result, a redshift in the wavelength is observed in the transmission spectrum of the device. The sensitivity of the device is estimated at 7.63 pm/ppm, 34.46 pm/ppm, and 74.78 pm/ppm for the sensing arm lengths of 5 µm, 10 µm, and 15 µm, respectively. The sensitivity can be further enhanced, however, at the cost of the bigger footprint of the device. Utilizing the innovative sensor design, a comprehensive range of CO2 gas concentrations spanning from 0 to 524 ppm is effectively detected. This compact and highly sensitive device serves as a vital tool for monitoring indoor CO2 levels, fostering a healthier breathing environment for all occupants. [ABSTRACT FROM AUTHOR]

As a novel two-dimensional (2D) material, black phosphorene (BP) finds wide applications in gas adsorption and detection devices due to its distinctive optical, thermoelectric, and surface properties. However, numerous studies have demonstrated that BP exhibits strong selectivity towards gas adsorption and displays significant affinity towards gas molecules containing the element N, thereby greatly impeding its utilization in gas detection. To partially compensate for this deficiency, this study investigates the impact of halogen atom decoration on the adsorption behavior of BP towards CO2, H2O, and O2 molecules. Furthermore, a comparison is made between the variations in gas adsorption energy with and without decorated halogen atoms. The results showed that the adsorbates of CO2, H2O, and O2 molecules and halogen atoms (Cl, Br) adsorbed at the top (T) site of BP was much stronger than those at the bridge (B) and the hollow (H) sites of the P-P bond of BP, owing to their low adsorption energies. After the t position of BP is modified by the halogen (Cl, Br) atom, the optimal adsorption of CO2 changes from −0.85 eV to −1.70 eV (Cl) and −1.64 eV (Br), and the optimal adsorption of H2O changes from −0.72 eV to −1.48 eV (Cl) and −1.23 eV (Br), respectively. The adsorption properties were significantly enhanced. That is to say, the gas adsorption properties of BP have been largely improved by halogen Cl (Br) atoms decorating. [ABSTRACT FROM AUTHOR]

A nanofiber membrane with a high surface-to-volume ratio has advantages in applications such as those used for particulate matter filtration and gas detection. To maximize the potentials of the membrane structure, recent research has been attempted to control nanofiber geometries. In this paper, surface modification of a nanofiber membrane with a metal/ceramic nanostructure is performed to improve multi-functional filter performance, enhancing fine particle filtration and toxic gas absorption. Here, a smart filter is fabricated by electrospinning polyvinylidene difluoride (PVDF) nanofiber onto a nylon mesh and hydrothermal synthesis of ZnO nanoparticles onto a nanowire array on a PVDF nanofiber surface. On the ZnO nanowires–PVDF nanofiber layer filter, the pressure difference (ΔP = 4.13 kPa) is higher than the pure PVDF nanofiber layer. However, the filtration efficiency is 94.3% for a 0.3 μm particle size, which is higher than that of other sizes. Additionally, a ZnO nanowire array with high density on a PVDF nanofiber layer affects sensitivity (S = 39.37), with high resolution. The photocurrent characteristics of a smart filter have the potential for a photo-assisted redox reaction to detect toxic polar molecules in continuous airflow in real-time in indoor environments. [ABSTRACT FROM AUTHOR]

Since MXene (a two-dimensional material) was discovered in 2011, it has been favored in all aspects due to its rich surface functional groups, large specific surface area, high conductivity, large porosity, rich organic bonds, and high hydrophilicity. In this paper, the preparation of MXene is introduced first. HF etching was the first etching method for MXene; however, HF is corrosive, resulting in the development of the in situ HF method (fluoride + HCl). Due to the harmful effects of fluorine terminal on the performance of MXene, a fluorine-free preparation method was developed. The increase in interlayer spacing brought about by adding an intercalator can affect MXene's performance. The usual preparation methods render MXene inevitably agglomerate and the resulting yields are insufficient. Many new preparation methods were researched in order to solve the problems of agglomeration and yield. Secondly, the application of MXene-based materials in gas sensors was discussed. MXene is often regarded as a flexible gas sensor, and the detection of ppb-level acetone at room temperature was observed for the first time. After the formation of composite materials, the increasing interlayer spacing and the specific surface area increased the number of active sites of gas adsorption and the gas sensitivity performance improved. Moreover, this paper discusses the gas-sensing mechanism of MXene. The gas-sensing mechanism of metallic MXene is affected by the expansion of the lamellae and will be doped with H2O and oxygen during the etching process in order to become a p-type semiconductor. A p-n heterojunction and a Schottky barrier forms due to combinations with other semiconductors; thus, the gas sensitivities of composite materials are regulated and controlled by them. Although there are only several reports on the application of MXene materials to gas sensors, MXene and its composite materials are expected to become materials that can effectively detect gases at room temperature, especially for the detection of NH3 and VOC gas. Finally, the challenges and opportunities of MXene as a gas sensor are discussed. [ABSTRACT FROM AUTHOR]