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In this study, a novel cellulose nanocrystal/metal-organic framework composite (MC) was developed as a stabilizer for alkenyl succinic anhydride (ASA) Pickering emulsions, demonstrating remarkable sizing performance and antimicrobial properties for advanced food packaging applications. The MCs exhibited superior emulsion stabilization capabilities compared to pure metal-organic frameworks, with the optimum MC concentration identified as 1.0 wt% CNC. The hydrophobicity of the sizing paper was found to be enhanced with increasing CNC content. The MC-ASA sized paper demonstrated commendable storage stability, robust gas adsorption, and resistance to water vapor or water droplets. The MCs-ASA sized paper showed excellent food preservation efficacy, maintaining the freshness of strawberries for up to seven days, compared to ASA-sized paper without MCs. The antimicrobial assays targeting Escherichia coli and Staphylococcus aureus highlighted the intrinsic antimicrobial properties of the MCs, contributing to the extended freshness of the encased strawberries. The water vapor barrier efficacy and water retention capabilities of MCs-ASA sized paper were found to be superior to those of the paper without MCs, emphasizing the potential of the developed composite as an innovative and effective food packaging solution. This study offers valuable insights into the synthesis and implementation of CNC/MOF composite particles for versatile applications in food packaging, water-resistant materials, and environmental protection. [Display omitted] • CNC/MOF composites boost ASA Pickering emulsions' sizing performance. • MCs elevate hydrophobicity, gas adsorption, and sizing paper stability. • MCs-ASA paper extends strawberry freshness to 7 days in food packaging. • Research paves way for sustainable, eco-friendly advanced packaging solutions. [ABSTRACT FROM AUTHOR]

This work presents an unconventional use of capacitively coupled contactless conductivity detector (C4D) for detection of gas absorption by moist paper with potential application for chemical analysis. To be suitable for measuring conductivity of moist paper absorbent, the C4D sensor was therefore designed in planar configuration. A layer of dry filter paper, only 20 mm × 25 mm in size, was placed on the C4D sensor and the device installed inside a specifically designed vaporization chamber. A vial (16 mm i.d., 8 mm high) containing a 150-μL solution of sodium bicarbonate was placed alongside. The filter paper was loaded with 110 μL of deionized water through an injection hole in the cover lid. A 100-μL aliquot of 2 M hydrochloric acid solution was directly dispensed into the vial through a second hole in the lid to generate CO 2 gas from the bicarbonate solution. It was observed that the C4D sensor gave real-time response that corresponded to the absorption of the gas and subsequent production of H+ and HCO 3 − in the moist paper. The monitored signal reached a constant value at 160 s after the addition of the acid. Chemistry of the absorption process and equivalent circuit for the C4D are proposed. Direct measurement of cement powder was chosen to demonstrate the potential use of this device for quantifying the CaCO 3 content of the cement. The calibration curve for 0.5–3 mg CaCO 3 was linear for signals recorded at 160 s: V dc = (0.172 ± 0.005) · (mg CaCO 3) + (0.016 ± 0.009), with coefficient of determination of 0.9965. Linear calibrations were also observed when the signals were monitored at various time less than 160 s. The limit of quantitation (3 SD of intercept/slope) was 0.17 mg CaCO 3. The method provided acceptable precision with %RSD of 4.6 (2 mg CaCO 3 , n = 10). Image 1 • Unconventional use of planar contactless conductivity detector is presented. • Real-time in-situ detection of CO 2 absorption by moist paper was demonstrated. • The absorption chemistry by moist paper and C4D equivalent circuit are proposed. • Potential application in direct measurement of cement powder is demonstrated. [ABSTRACT FROM AUTHOR]

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]

This article introduces PyRTlib, a new standalone Python package for non-scattering line-by-line microwave radiative transfer simulations. PyRTlib is a flexible and user-friendly tool for computing down- and upwelling brightness temperatures and related quantities (e.g., atmospheric absorption, optical depth, opacity, mean radiating temperature) written in Python, a language commonly used nowadays for scientific software development, especially by students and early-career scientists. PyRTlib allows for simulating observations from ground-based, airborne, and satellite microwave sensors in clear-sky and in cloudy conditions (under non-scattering Rayleigh approximation). The intention for PyRTlib is not to be a competitor to state-of-the-art atmospheric radiative transfer codes that excel in speed and/or versatility (e.g., ARTS, Atmospheric Radiative Transfer Simulator; RTTOV, Radiative Transfer for TOVS (Television Infrared Observation Satellite (TIROS) Operational Vertical Sounder)). The intention is to provide an educational tool, completely written in Python, to readily simulate atmospheric microwave radiative transfer from a variety of input profiles, including predefined climatologies, global radiosonde archives, and model reanalysis. The paper presents quick examples for the built-in modules to access popular open data archives. The paper also presents examples for computing the simulated brightness temperature for different platforms (ground-based, airborne, and satellite), using various input profiles, showing how to easily modify other relevant parameters, such as the observing angle (zenith, nadir, slant), surface emissivity, and gas absorption model. PyRTlib can be easily embedded in other Python codes needing atmospheric microwave radiative transfer (e.g., surface emissivity models and retrievals). Despite its simplicity, PyRTlib can be readily used to produce present-day scientific results, as demonstrated by two examples showing (i) an absorption model comparison and validation with ground-based radiometric observations and (ii) uncertainty propagation of spectroscopic parameters through the radiative transfer calculations following a rigorous approach. To our knowledge, the uncertainty estimate is not provided by any other currently available microwave radiative transfer code, making PyRTlib unique for this aspect in the atmospheric microwave radiative transfer code scenario. [ABSTRACT FROM AUTHOR]

Context: To lessen the impact of the dangerous metal Cr, this paper applies the first principles to investigate the adsorption behavior and photoelectric properties of GaS on Cr. The effects of doped GaS on Cr adsorption behavior are investigated with four GaS systems, which are pure, boron (B)-doped, nitrogen (N)-doped, and oxygen (O)-doped, in order to maximize the characteristics of GaS for use in novel sectors, to obtain understanding of the impact of doping on the electronic structure and optical properties of GaS adsorption of Cr, as well as to promote the development of the material. Four GaS adsorbed Cr systems, pure, B-doped, N-doped, and O-doped, are optimized, and the optimized results show that the stable adsorption position of Cr on both pure and doped GaS is the top position of Ga atoms, whereas doped elements B, N, and O can promote the adsorption of Cr on GaS, and the order of the strength of this promotion is B > N > O. Method: In this paper, molecular simulation calculations and analyses using the CASTEP module in the software Materials Studio are performed to simulate the structure optimization of GaS-adsorbed Cr materials doped with B, N, and O atoms by using the generalized gradient approximation (GGA) plane-wave pseudopotential approach [1] and the Perdew-Burke-Ernzerhof (PBE) generalized function [2]. From the convergence test, it is reasonable to set the K-point network to 4 × 4 × 1 and the truncation energy to 500 eV [3]. In this paper, a 3 × 3 × 1 supercell structure with 18 S atoms and 18 Ga atoms is selected. The convergence value of the iterative accuracy is 1.0e − 5 eV/atom, and all the atomic forces are less than 0.02 eV/Å. A vacuum layer of 16 Å is also set in the C direction to avoid interlayer interactions of GaS. First, we optimize the geometry of the model and then analyze the nature of the adsorption energy and electronic structure corresponding to the model. [ABSTRACT FROM AUTHOR]

This paper evaluates the effect of different synthesis conditions on the structural properties of the porous metal–organic frameworks MIL-53(Al) produced by the microwave method at different reaction temperatures (120, 150, and 180 °C) and times (30, 180 min). The morphologies, chemical contents and crystal structures of the synthesized samples were determined by the SEM-EDS and XRD methods, respectively. The structural properties of MIL-53(Al)s were analysed according to isotherm data obtained from nitrogen gas adsorption by applying the Brunauer–Emmett–Teller (BET), Langmuir, Dubinin–Radushkevich (DR), t-plot, Barrett–Joyner–Halenda (BJH) and quenched solid density functional theory (QSDFT) methods, as well as the new numerical clustering-based adsorption analysis (LBET) method, which is a unique numerical method that provides advanced assessment for porous structures. The LBET analysis showed that the MIL-53(Al) sample at a reaction temperature of 180 °C for 30 min has the best adsorption properties, with the highest volume of the first adsorbed layer and the highest value of the energy parameter for higher layers. Due the LBET method, it was possible to evaluate the porous structure of the MIL-53(Al) samples with high precision and reliability, and thus to determine the precise influence of the conditions of their preparation on the formation of their structure. In turn, based on the shapes of the pore size distributions (PSD), the materials analysed have very similar PSD, with only the MIL-35(AL)S1 sample having a significantly lower PSD height. In conclusion, attention was paid to the necessity of complex evaluation of adsorbent properties, taking into account not only their adsorption properties but also their mechanical and functional properties, as well as production costs and the impact of adsorbent production and utilization on the environment. [ABSTRACT FROM AUTHOR]

Detection of SF 6 decomposition gases is crucial in power equipment maintenance. This paper investigates the adsorption behavior of SO 2 and H 2 S on the intrinsic and Fe-modified net-Y surfaces using density functional theory. The adsorption parameters and electronic attributes of diverse configurations have been scrutinized. Calculations indicate that net-Y exhibits limited adsorption capacity for both gases. The doped substrate exhibits a localized magnetic moment around the Fe atom, indicating the possible occurrence of the Kondo effect in the system. The substrate chemisorbs with the target gas through the Fe 3d orbitals. Additionally, after the adsorption of gases, the system undergoes a transition from metallic to semiconductor properties, accompanied by a near-complete disappearance of magnetism. Specifically, in two adsorption configurations, the systems manifest the characteristics of half-semiconductor and half-metal, respectively. Our study provides evidence that the incorporation of Fe-modified net-Y shows potential as a disposable device for detecting and purifying the decomposition products of SF 6 , presenting a prospective application for net-Y in spintronic devices. [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]

A novel method has been developed for the determination of the diffusion ( D ) and solid–air partition ( K d ) coefficients of methanol in paper materials. The method used a solvent-assisted vapor absorption based headspace analysis technique to increase the driving force of the mass transfer process in the solid phase. Equations based on the established physical models described the process allowed the calculation of D and K d of methanol in paper materials from the GC signals and experimental settings. The results showed that the amount of methanol transferred from the paper sheet can be significantly increased by the presence of the assisting triacetin. The solvent-assisted vapor absorption equilibrium can be obtained in 20 min. The method also generated equations allowing for the calculation of D and K d of methanol in paper materials at any temperature. The present method is simpler and quicker than the chamber methods that are in widespread use today and should be of special interest to those concerned about the impact of food and beverage packaging on human health. [ABSTRACT FROM AUTHOR]

Oil-immersed power transformers generate characteristic gases after failure,Therefore, it is necessary to analyse and monitor the soluble gases in transformer oil samples. In this study, the DFT calculation method was used to study the adsorption properties of H2, CO, C2H2, and C2H4 gases in oil on both intrinsic MoTe2 and Rh-doped MoTe2 films. In order to analyse the adsorption characteristics, this paper first obtains the most stable Rh-doped MoTe2 monolayer model through the modelling and computational analysis of different doping sites, then, the adsorption of these gases on the material surface is studied by analysing adsorption energy, charge transfer, total state density, parting density, energy band structure, differential charge density map, molecular front orbital and desorption time, and finally concludes that Rh-MoTe2 monolayer film is the ideal material for hydrogen sensing elements, due to the extremely long desorption time of CO gas, indicating that CO gas is hard to desorption on the surface of adsorbent,which shows that this process has played a certain role in promoting CO removal. Highlights Study focused on gas adsorption using DFT: Rh-MoTe2 ideal for hydrogen sensing and effective for CO removal, intrinsic MoTe2 ineffective and required metal doping. Rh doping enhanced conductivity and gas adsorption capacity in MoTe2. Rh-MoTe2 was suitable for detecting H2, C2H2, and C2H4 gases. Desorption times vary with temperature, with CO removal particularly effective at higher temperatures. Findings suggest potential applications for Rh-MoTe2 in gas sensing and removal. [ABSTRACT FROM AUTHOR]

Coal and gas outbursts are anthropogenic hazards that can be divided into four stages: preparation, occurrence, development, and termination. Studying the influence of gas on coal damage and energy changes during the formation of outbursts is highly important for investigating the entire hazard. In this paper, laboratory experiments were performed on samples. The energy changes and failure mechanism of coal under different gas pressures were revealed, and a seepage model was established based on compressibility and adsorption to investigate gas-induced coal damage. The results demonstrated that gas pressure caused initial damage within the coal, resulting in nonlinear deformation and strength deterioration of the coal. Gas-induced damage affected the energy evolution mechanism of coal under loading, as pressure caused the premature release of energy at the tips of internal microcracks and reduced the ability to accumulate energy. These changes increased the proportion of dissipative energy under unstable conditions. The combined acoustic emission (AE) parameters—rising angle (RA) and average frequency (AF)—were used to study the fracture mode of gas-containing coal. As the gas pressure increased from 0 to 4 MPa, the RA–AF distribution pattern changed from tensile failure to tensile–shear composite failure, with the proportion of shear cracks increasing from 0.30% to 25.44%. As the complexity of the crack network increased, the randomness of crack propagation increased, and the fracture surface roughness parameters, arithmetic mean height S a , root mean square height S q , and maximum height S z increased by 90.33%, 94.02%, and 81.70%, respectively. These findings could contribute to a comprehensive understanding of the underlying mechanism of coal and gas outbursts and guide for predicting and preventing these hazards. [ABSTRACT FROM AUTHOR]

Hydrogen‐bonded organic frameworks (HOFs) are a class of crystalline framework materials assembled by hydrogen bonds. HOFs have the advantages of high crystallinity, mild reaction conditions, good solution processability, and reproducibility. Coupled with the reversibility and flexibility of hydrogen bonds, HOFs can be assembled into a wide diversity of crystalline structures. Since the bonding energy of hydrogen bonds is lower than that of ligand and covalent bonds, the framework of HOFs is prone to collapse after desolventisation and the stability is not high, which limits the development and application of HOFs. In recent years, numerous stable and functional HOFs have been developed by π–π stacking, highly interpenetrated networks, charge‐assisted, ligand‐bond‐assisted, molecular weaving, and covalent cross‐linking. Charge‐assisted ionic HOFs introduce electrostatic attraction into HOFs to improve stability while enriching structural diversity and functionality. In this paper, we review the development, the principles of rational design and assembly of charge‐assisted ionic HOFs, and introduces the different building block construction modes of charge‐assisted ionic HOFs. Highlight the applications of charge‐assisted ionic HOFs in gas adsorption and separation, proton conduction, biological applications, etc., and prospects for the diverse design of charge‐assisted ionic HOFs structures and multifunctional applications. [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]

Dual-comb absorption spectroscopy has been a promising technique in laser spectroscopy due to its intrinsic advantages over broad spectral coverage, high resolution, high acquisition speed, and frequency accuracy. However, two primary challenges, including etalon effects and complex baseline extraction, still severely hinder its implementation in recovering absorbance spectra and subsequent quantification analysis. In this paper, we propose a deep learning enabled processing framework containing etalon removal and baseline extraction modules to obtain absorbance spectra from distorted dual-comb absorption spectroscopy. The etalon removal module utilizes a typical U-net model, and the baseline extraction module consists of a modified U-net model with physical constraint and an adaptive iteratively reweighted penalized least squares method serving as refinement. The training datasets combine experimental baselines and simulated gas absorption with different concentrations, fully exploiting prior information on gas absorption features from the HITRAN database. In the simulated and experimental test, the CO2 absorbance spectrum covering 25 cm–1 shows high consistency with the HITRAN database, of which the mean absolute error is less than 1% of the maximum absorbance value, and the retrieved concentration has a relative error under 2%, outperforming traditional approaches and indicating the potential practicality of our data processing framework. Hopefully, with a larger network volume and proper datasets, this processing framework can be extended to precise quantification analysis in more comprehensive applications such as atmospheric measurement and industrial monitoring. [ABSTRACT FROM AUTHOR]

This article introduces PyRTlib, a new standalone Python package for non-scattering line-by-line microwave Radiative Transfer simulations. PyRTlib is a flexible and user-friendly tool for computing down and up-welling brightness temperatures and related quantities (e.g., atmospheric absorption, optical depth, opacity, mean radiating temperature) written in Python, a language commonly used nowadays for scientific software development especially by students and early career scientists. PyRTlib allows simulating observations from ground-based, airborne, and satellite microwave sensors in clear sky and in cloudy conditions (under non-scattering Rayleigh approximation). The intention for PyRTlib is not to be a competitor for state-of-the-art atmospheric radiative transfer codes that excel for speed and/or versatility (e.g., ARTS, RTTOV). The intention is to provide an educational tool, completely written in Python, to readily simulate atmospheric microwave radiative transfer from a variety of input profiles, including predefined climatologies, global radiosonde archives, and model reanalysis. The paper presents quick examples for the built in modules to access popular open data archives. The paper also presents examples for computing simulated brightness temperature for different platforms (ground-based, airborne, and satellite), using various input profiles, showing how to easily modify other relevant parameters, such as observing angle (zenith, nadir, slant), surface emissivity, and gas absorption model. PyRTlib can be easily embedded in other Python codes needing atmospheric microwave radiative transfer (e.g., surface emissivity models and retrievals). Despite its simplicity, PyRTlib can be readily used to produce present-day scientific results, as demonstrated by two examples showing (i) absorption model comparison and validation with ground-based radiometric observations and (ii) uncertainty propagation of spectroscopic parameters through the radiative transfer calculations following a rigorous approach. To our knowledge, the uncertainty estimate is not provided by any other currently available microwave radiative transfer code, making PyRTlib unique for this aspect in the atmospheric microwave radiative transfer code scenario. [ABSTRACT FROM AUTHOR]

Abstract: Single-walled carbon nanotube (SWCNT) and multi-walled carbon nanotube (MWCNT) membranes (buckypaper) and carbon nanofiber (CNF) paper were incorporated onto the surface of epoxy carbon fiber composites, as proposed fire shields. Their flammability behaviors were investigated by a cone calorimeter. SWCNT buckypaper and CNF paper did not show notable improvement on fire retardancy. However, MWCNT buckypaper acted as an effective flame-retardant shield, reducing the peak heat release rate by more than 60% and reducing smoke generation by 50% during combustion. The pore structures of buckypapers and CNF paper were characterized by scanning electron microscopy (SEM), mercury intrusion porosimetry, and N2 adsorption isotherms. Gas permeability of buckypaper and carbon nanofiber paper was measured. The correlation between buckypaper and CNF paper properties and their fire retardancy was discussed. [Copyright &y& Elsevier]

In this study, preparation of a nylon film–TiO 2 composite sheet with both physical durability under UV irradiation and TiO 2 photocatalysis functionality was investigated. First, a nylon film was directly prepared on paper by interfacial polymerization using ethylenediamine and terephthaloyl chloride in a cyclohexane–chloroform mixture (3:1, v/v). Next, the nylon-coated paper was treated with tetraethyl orthosilicate and 3-aminopropyltrimethoxysilane to prepare polysiloxane on its surface. This was followed by fixation of TiO 2 powder via electrostatic interactions with the polysiloxane. Although nylon films on paper usually decompose under TiO 2 photocatalysis, the nylon film–TiO 2 composite sheets prepared using 0.5%–1.0% (w/v) TiO 2 did not decompose under photocatalysis. The residual rate of strength of the sheet remained at almost 100% after 240 h, which could be attributed to protection of the sheet by the polysiloxane layer. The nylon film was fibrous and could effectively adsorb acetaldehyde gas. All of the nylon film–TiO 2 composite sheets prepared using 0.5%–5.0% TiO 2 photocatalytically removed acetaldehyde under UV irradiation and no acetaldehyde gas was detected after 240–300 min. These results show the nylon film–TiO 2 composite sheet can effectively remove acetaldehyde gas by photocatalysis and adsorption and could be applied to removal of volatile organic compounds in indoor air. Image 1 • A nylon film is directly prepared on paper using interfacial polymerization. • The nylon can adsorb acetaldehyde gas. • Polysiloxane is coated on the nylon by electrostatic interactions and fixes TiO 2. • The nylon film–TiO 2 composite sheet is durable under TiO 2 photocatalysis. • The nylon film–TiO 2 composite sheet is photocatalytic. [ABSTRACT FROM AUTHOR]

The permeability evolution for coal seam roof overburden subjected to high temperature plays a significant role in efficient, clean, and safe production of underground coal gasification. This paper proposes an elastic–plastic behavior-based permeability model, which depicts the impacts of non-isothermal gas adsorption, total effective stress (mechanical and thermal stress), as well as the damage of matrix in rock on permeability. In this work, an idealized fractal geometry model known as equivalent fractured cube model was presented to quantitatively characterize the structure of rock with new matrix damage generation. Then, the availability of the elastic–plastic behavior-based permeability model was validated by the measured permeability data from the unchanged stress and pore pressure tests through three typical post-high-temperature rocks with different compactness. The experiment results indicate that with the elevation in heating treatment temperature, both the density and mass loss rate exhibit similar evolutionary trends for these three specimens, while there are significant differences in permeability evolution for them. Furthermore, the parameters (λ and η) in the elastic–plastic behavior-based permeability model possess specific physical and mechanical implications and are closely related to rock properties, which will improve the accuracy of permeability prediction. Later, the density-dependent damage variable Dρ was introduced into a classical damage-dependent permeability model, and the results show that although the Dρ is the apparent damage variable, it can describe the rock damage to a certain extent, which is consistent with the permeability evolution. The leading significances for this study are to provide a method of simulating the permeability evolution in coal seam roof overburden during the process of underground coal gasification. Highlights: An elastic-plastic behavior-based permeability (EPBP) model is proposed. An idealized fractal geometry model known as equivalent fractured cube model (EFCM) is developed. The availability of the EPBP model is validated by the measured permeability data from the unchanged stress and pore pressure tests. [ABSTRACT FROM AUTHOR]

In the accident conditions, the operational behavior of passive autocatalytic recombiners (PARs) has garnered significant attention, particularly with regards to the complicated atmosphere in the containment. This paper aims to systematically study and analyze the PAR performance under post-accident conditions. CFD simulation resolving individual catalytic channels of PARs provide valuable insights into hydrogen consumption performance and temperature distribution. A simplified model of PARs, consisting of a gas channel and two catalyst plates, was developed using the CFD software STAR-CCM+. One-step reaction mechanism was used in this model to define the hydrogen consumption rate on the catalytic surface. To study the variation in gas concentration and temperature distribution, physical values of interest were extracted from designated locations. An analysis of catalyst section was conducted to provide a comprehensive understanding of the reaction process occurring within PARs. Subsequent tests were conducted using the developed simplified model to examine the effect of inlet gas components variation and operating conditions on PAR performance under post-accident conditions. Our findings show that the variation of steam concentration primarily alters the heat absorption capacity of the gas mixture, rather than the catalytic reaction rate. Furthermore, inlet velocity and operating pressure play a role in controlling the inlet mass flow rate, thereby influencing the reaction process of the gas channel by introducing varying amounts of hydrogen. • An analysis of catalyst section behavior in passive autocatalytic recombiners. • Examinations of different inlet gas components and operating conditions. • Hydrogen concentration and gas temperature directly change the reaction rate. • Steam concentration mainly alters the gas heat absorption capacity. • Inlet velocity and operating pressure control the inlet mass flow rate. [ABSTRACT FROM AUTHOR]

In this paper, the evolution of nanoscale pores, covering inter-particle pores and inter-layer pores, in illite-dominant clay during consolidation is monitored using small angle X-ray scattering (SAXS) and nitrogen gas adsorption (N2GA) techniques. No obvious change observed in the characteristic peaks of SAXS intensity curves during consolidation suggests that the intra-particle structure of the clay, including interlayer spacings, is not affected by mechanical loading, at least up to 4 MPa. The N2GA test results show that the volume of inter-particle pores inside the aggregates does decrease gradually as the compression proceeds, which is accompanied by a gradual reduction in specific surface area, probably due to the rearrangement of the particles composing the aggregates. The inter-particle pores are compressed as a whole during consolidation instead of the progressive collapse in an ordered manner, from the larger to the smaller. By comparing the pore-size distributions of illite-dominant clay obtained by MIP (mercury intrusion porosimetry) and N2GA techniques, it is found that the shapes of the two distributions in the common measurement range are obviously not matched, essentially due to the sequential nature of the drying and wetting processes. While filling the research gap in the evolution of intra-aggregate pores during consolidation, this study also shows that the N2GA technique and SAXS measurement used in conjunction with each other appear as a powerful approach for clay nano-pores identification. [ABSTRACT FROM AUTHOR]

The adsorption characteristics of gas molecules HF and Cl2 on monolayer WTe2 surface are studied by first‐principles calculation method. The results show that monolayer WTe2 is more sensitive to gas molecule Cl2. The adsorption performance of monolayer WTe2 to gas molecule HF cannot be improved by doping atoms. When the upward vertical electric field is applied, the sensitivity of monolayer WTe2 to gas molecule Cl2 is improved, and when the downward vertical electric field is applied, the monolayer WTe2 shows an obvious desorption trend to gas molecule Cl2. The vertical electric field cannot significantly enhance the interaction between gas molecule HF and Ag‐doped monolayer WTe2. Our research confirms that monolayer WTe2 is more sensitive to gas molecule Cl2 and can be improved or desorbed by the vertical electric field, while that of monolayer WTe2 for gas molecule HF cannot significantly change. Furthermore, the electrical transport characteristics of monolayer WTe2 and Cl2‐WTe2 system are studied to better explain the reason for the higher sensitivity to gas molecule Cl2. The research results of this paper provide theoretical guidance for the experimental preparation of high sensitivity gas sensor based on two‐dimensional transition metal dichalcogenide WTe2. [ABSTRACT FROM AUTHOR]

The Brunauer–Emmett–Teller (BET) theory [S. Brunauer et al., "Adsorption of gases in multimolecular layers," J. Am. Chem. Soc. 60, 309–319 (1938)] constitutes a cornerstone in gas-adsorption physics. Recently, the kinetic BET equation of single-kind adsorbate has been proposed [H. Yu and X. Zhang, "Molecular-kinetic study of multilayers gas-adsorption in a rarefied gas environment," Phys. Fluids 34, 123106 (2022)], while its counterpart of mixed adsorbates is currently unknown. Gas mixtures are commonly found in both natural and artificial systems. To address this limitation, we have proposed a kinetic BET theory for adsorbate mixtures in this paper. Moreover, we gave an analytical solution addressing low gas pressure conditions. In this condition, we predicted the "over-adsorption" of one species in the mixture with a higher desorption rate over time, and the "inertia effect" during the crowed-out process of the fast-desorbing species. Further, we also simulated the reciprocal influence of multilayer gas adsorption on the non-equilibrium fluids. Our findings provide valuable insights into gas-adsorption experiments and can facilitate technological advancements. [ABSTRACT FROM AUTHOR]

Microporous organic polymers (MOPs) are a new type of porous materials, which have advantages of synthetic diversity, chemical and physical stability, microporous size controllability, etc. MOPs indicate broad applications in various fields such as heterogeneous catalysis, gas adsorption, separation, and storage. In recent years, MOPs have attracted an enormous attention in greenhouse gas capture due to their great potential in physisorptive gas storage. Carbazole and its derivatives have been studied extensively as Metal-Organic Polyhedra (MOPs) building blocks due to their unique structural features and versatile functionalization possibilities. This paper systematically reviews the synthesis, characterization and application of carbazole-based polymers, and relationship of structures and properties of these polymers. The application of the polymers in carbon dioxide (CO2) capture field is analysed taking advantage of their adjustable microporous structure and electron rich properties. This review also provides novel insights regarding functional polymer materials that have high ability of greenhouse gas capture and absorbing selectivity will be obtained by reasonable molecular design and efficient synthesis. [ABSTRACT FROM AUTHOR]

This paper reviews the 40-year evolution and application of the magnetic suspension balance (MSB) and discusses some challenging issues of the technique. An MSB, as defined herein, is a magnetic suspension coupling (MSC) connected to an analytical balance. With an MSC, an object can be weighed in a different environment than the balance itself, making it possible for contactless weighing. Over the past 40 years, the MSB has been commonly used in research areas requiring accurate object weighings, notably gas density measurements by MSB-based densimeters and gas adsorption measurements by MSB-based sorption analyzers. More than 15 MSB-based densimeters have been built to date; these are generally called two-sinker densimeter and single-sinker densimeter. They have produced highly accurate density data of many pure fluids and fluid mixtures. These data serve as the basis for the development of reference equations of state, which play an essential role in various industrial and scientific areas. Moreover, such systems are central to the metrology program of many countries. The MSB technique is also very successful in adsorption science: more than 85 MSB-based sorption analyzers have been set up in over 20 countries. The number of new MSB-based sorption analyzers, and peer-reviewed publications resulting from them, are both increasing exponentially since 2004. They have produced highly reliable gas adsorption data at high pressures for many applications, mainly in the energy and environmental sectors. Although further development of innovative instruments based on the MSB is threatened by the proprietary nature of MSB technology, the development will continue, e.g., toward cryogenic measurements and a more compact design. [ABSTRACT FROM AUTHOR]

In this paper, dual-band gas detection using a combination of the light-induced thermoelastic spectroscopy (LITES) and an antiresonant hollow-core fiber-based (ARHCF) gas absorption cell is demonstrated. The broad wavelength operation capability of a standard 32 kHz quartz tuning fork and the self-developed fiber-based gas absorption cell was exploited to demonstrate quasi-simultaneous detection of N2O and CO2, at 4570 nm (2188.2 cm−1) and 2006 nm (4985.9 cm−1), respectively. The signal analysis was based on the wavelength modulation spectroscopy technique, allowing to achieve a noise equivalent absorption coefficient (NEA) of 8.6 × 10–7 cm−1 and 1.7 × 10–6 cm−1 for N2O and CO2, respectively. The results indicate that the combination of ARHCFs with the LITES method is well suited for the design of broadband gas detectors and show remarkable potential in the fabrication of miniaturized, versatile and relatively inexpensive gas sensors operating over a wide spectral range, thus allowing multigas detection. [ABSTRACT FROM AUTHOR]

In this paper, we conducted comprehensive analysis of the selective adsorption of CO2 by carbon and silicon prismanes along with metal ions. The results of calculations from B3LYP/6-31G(d,p) and M06-2X/6-31G(d,p) levels of theory show that Be 2 + , Mg 2 + , Ca 2 + and Li + , Na + , K + ions are bounded strongly enough to prismanes. The Be 2 + ion binds more strongly to the C8 H8 cubane with binding energy 9.66 eV compared to Li + , Na + , K + , Mg 2 + and Ca 2 + ions having binding energies 1.26, 0.63, 0.51, 4.60 and 3.36 eV, respectively. Similar results were obtained for larger prismanes C 1 0 H 1 0 and C 1 2 H 1 2 . Instead of binding energy, we determine the adsorption of gases on metal-ion prismane complex along with effect of temperature on different gas adsorption shows that C8H8_Mg 2 + and C8H8_Be 2 + are active adsorbents at temperatures above room temperature. It is also observed that in comparison to N2 and CH4, CO2 interacts more strongly with all prismanes decorated with metal ions. These non-covalent interaction plots are used to study the prismane and metal-ion interaction. Comparable study of silicon prismanes with M06 2X/6-31G (d, p) basis set, in terms of binding energy, adsorption of gases on prismane along with temperature effect, also possesses similar selectivity to CO2 molecule with even higher adsorption energies. Thus, beryllium-decorated prismanes can be considered as promising adsorbents of carbon dioxide with good selectivity and high adsorption energy. [ABSTRACT FROM AUTHOR]

The two-dimensional distribution method based on the laser spectrum is widely used in the reconstruction of two-dimensional temperature fields or concentration fields. However, the existing methods are all based on small-scale measurements. In large-scale spatial detection of farmland, the detection accuracy cannot reach the expected result due to the long optical path and the noise of various frequencies brought by environmental factors such as vibration, temperature, and other interfering gases. Aiming at the above-mentioned problems, this paper proposes a method to reduce open optical path noise interference in two-dimensional gas detection of farmland to improve detection accuracy. The signal denoising approach combines variational modal decomposition with the SG filtering algorithm to decompose, smooth out, and rebuild the detection signal. In addition, we built a two-dimensional detection system based on an open optical path. Throughout experimental validation, the proposed method outperformed the traditional method by 24% and 19%, respectively, in terms of the fitting degree and fitting effect of the gas absorption curve. [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]

The paper demonstrates the prospects of using an approach for calculating adsorption isotherms of gases on micropore industrial zeolites based on the example of H2, CO2, CO, CH4, N2 adsorption on 13X and 5A zeolites using the Dubinin–Radushkevich–Astakhov (DRA) equation. Experimental adsorption isotherms of H2, CO2, CO, CH4, N2 gases on 13X and 5A zeolites of various manufacturers have been obtained, as well as ranges of the limiting adsorption volume and characteristic adsorption energy have been established. It made it possible to correctly calculate isotherms using the DRA equation in the temperature range 293–323 K and pressure range 0–30 atm. The paper proposes and solves the optimization problem of determining affinity coefficients, which allows the calculation of gas adsorption isotherms on zeolites using only one experimental isotherm of standard gas N2. The mismatch between the experimental isotherms and those calculated by the DRA equation is 14.69% for H2 (maximum) and 1.81% for CO2 (minimum). This approach makes it possible to significantly reduce the number of necessary expensive experiments in comparison with the traditional approach (using the Langmuir equations or equations derived from it), at the same time providing acceptable accuracy for practice. [ABSTRACT FROM AUTHOR]

Fourier transform infrared spectroscopy (FTIR) is widely used in gas detection of SF6 decomposition components. A gas cell is an important element in the detection system, which can directly affect the accuracy and sensitivity of detection. During the long-term use of the gas cell, SF6 decomposition components may be adsorbed on the inner wall of the gas cell, which affects the detection results and the life of the gas cell. Therefore, the study on the adsorption between the gas cell material and the SF6 decomposition component is of great significance for improving the accuracy of detection. In this paper, based on the density functional theory, the adsorption process and adsorption degree of SF6 decomposition components (SOF2, SO2F2, CO, SO2, and H2S) with three typical main gas cell materials (Al, Cu, and Fe) and two gas cell coating materials (Teflon and Au) were simulated. It was found that the adsorption of Teflon and Au with gas was weak in the five materials and that of Teflon was the weakest. The adsorption energy of the three main gas cell materials was 2.65–6.31 times that of Teflon. The simulation results were also verified by FTIR and the GC-Materials Studio (MS) method. FTIR results showed that Teflon and Au had the weakest influence on the infrared spectral absorption peak and the effect of the two materials on SOF2 and SO2F2 gas absorption peaks is only less than 0.1. The results of gas chromatograph-mass spectrometer (GC-MS) showed that the effects of Teflon materials and Au on gas concentration were 2%–9.41% and the effects of Cu, Fe, and Al on gas concentration were 4.48%–65.43%. Therefore, Au and Teflon are suitable as coating materials for gas cells, which can reduce the adsorption of gas and improve the accuracy of infrared spectroscopy measurement. The results of this paper provide a reference for the development of application of optical gas detection technology in SF6 decomposition component detection. [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]

• The α -Fe 2 O 3 nanomaterials were prepared using a simple one-step hydrothermal method. • S1-250 sensor has a lower operating temperature (225 °C) and the highest response(88.47/100 ppm). • The long-term stability, selectivity and resistance to moisture of the S1-250 sensor were better than that of the S2-350 sensor. • The structure-activity relationship between material structure and gas-sensitive properties is studied to provide new ideas for the design of gas-sensitive materials. In different environments, high concentration of n-butanol will have certain harm to the human senses and nervous system, meanwhile the electrochemical sensor limits its widespread use due to its high power consumption, so it is very meaningful to develop a semiconductor n-butanol sensor with low energy consumption. In this paper, α-Fe 2 O 3 nanorods were prepared by one-step hydrothermal method and then assembled into a n-butanol sensor capable of detecting n-butanol, and the effects of two different calcination temperatures on the performance of the sensor were investigated. Due to its higher Fe3+ content, higher oxygen vacancy content and larger specific surface area, S1-250 provided more active sites for gas adsorption, which making the response of S1-250 to 100 ppm n-butanol at 215 °C reached to 88.4. Finally, the effect of the calcination temperature on the sensor and the response mechanism were discussed. This paper offers promising applications for low-energy n-butanol sensors assembled from a single material α −Fe 2 O 3. [ABSTRACT FROM AUTHOR]

The thermophoresis of nanoparticles suspended in gas is investigated in the transition regime by molecular dynamics simulations. It is found that there exists significant discrepancy between the simulation results and the theoretical predictions for the thermophoretic force, which is attributed to the adsorption of gas molecules on nanoparticles and the gas–particle non-rigid body collisions. By using the effective particle radius, the simulation results and Talbot et al.'s equation could agree with each other in the transition regime. In addition, the effect of the finite system size of the molecular dynamics simulations is non-negligible, and the simulation results modified by effective particle radius can coincide with Phillips' equation quite well. Therefore, for particles of a few nanometers, the non-rigid body collision effect and the adsorption of gas molecules and the effective radius of the nanoparticle under strong gas–particle coupling should be taken into account in the theoretical model. The investigation presented in this paper provides guidance for the application of nanoparticles in aerosol science. [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]

To feature fast hydrogen detection, a new design of surface acoustic wave (SAW) based hydrogen sensor integrated with a micro-heater is proposed in this paper. A 200 MHz delay-line patterned SAW sensing chip coated Pd/Ni alloy hydrogen sensitive film and a micro-heater are prepared on a Y35oX quartz wafer. The hydrogen gas adsorption in Pd/Ni thin-film modulates the SAW propagation, and against the temperature interference, the corresponding changes in acoustic attenuation are collected as the sensor signal. The Micro-heater is designed to catalysis the gas-sensitive effect by regulating the working temperature, and the influence law of heating temperature towards response speed is revealed theoretically, allowing determination of the optimal working temperature. The experimental results verify the theoretical prediction. Fast response (t 90 < 2 s), lower power consumption (<1.35 W), and the low detection limit (<15 ppm) are achieved at low working temperature of 75 °C. Furthermore, very low crossed humidity sensitivity and excellent long-term stability are observed. • The novel design of SAW hydrogen sensor integrated with a micro-heater. • The influence law of heating temperature towards response speed is studied. • The optimal working temperature determined by the experiment is 75 °C. • The SAW sensor shows fast response of 2 s to 1% H 2 concentration. • The sensing system with small size and low power consumption is implemented. [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]

Gas adsorption by the spherical particles in gas–particle flows has been recently studied by Yu et al. ["Direct simulation Monte Carlo of the gas adsorption of particles in gas–particle flows," Phys. Fluids 34, 083302 (2022)]. However, the gas-adsorption distribution on the particle surface has heretofore remained unknown. This paper addresses this knowledge gap by introducing a numerical method to calculate the gas-adsorption distribution for ellipsoidal particles in gas–particle flows. We split the particle surface into internal flat plates and calculate the gas adsorption for each internal flat plate in the gas flow. Based on this numerical method, the gas adsorption distribution for the ellipsoidal particles is reconstructed by using the direct simulation Monte Carlo method. The results show that the average adsorption by prolate particles with particle eccentricity reverses as the particle temperature increases. Moreover, we show that the density-dependent drag coefficient for particle motion in the free-molecule flow may evince gas adsorption at the particle surface. Those points could inspire the studies of dust physics in rarefied gas spaces. [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]

• Particle affects the output laser intensity and absorbance received by detector. • Extinction of particles can be represented by the slope of output laser intensity. • Exact measurement of gas concentration can be realized in the presence of particles. Tunable Diode Laser Absorption Spectroscopy (TDLAS) technology is widely used for monitoring the gas pollutants. But in actual measurement environments, there are usually particles, which will affect the TDLAS direct absorption spectroscopy. In this paper, the influence of particles on the direct absorption spectroscopy of TDLAS was analyzed by using TDLAS-DAS technology combined with particle extinction method. According to analysis, it was found that the presence of particles does not affect the gas characteristic absorption spectral line strength and the gas absorption spectroscopy broadening, but it does affect the output laser intensity and absorbance received by the detector. The transmittance of particles can be obtained through the slope of the output laser intensity, which can be used to correct the absorbance to achieve accurate measurement of gas concentration. This paper analyzed the effects of particle size, incident wavelength, and composition on particle extinction coefficient and obtained the extinction coefficient of soot. If the laser wavelength is 1.53 μm and the particle size of soot is 45 μm, the extinction coefficient of soot is 2.1016. The magnitude of laser intensity attenuation at different particle concentrations can be obtained based on the extinction coefficient of particulate matter. When the concentration of soot is greater than 26290 mg/m3 and the optical path is 100 cm, the transmittance is less than 0.1 and the laser intensity attenuation reach over 90 %, which may affect the detection of gas absorption spectroscopy information and the accuracy of measurement. On this basis, this paper established the relationship between gas concentration and corrected absorbance to invert the gas concentration in the presence of particulate matter when the concentration of soot is less than 26290 mg/m3. The inversion gas concentration error obtained by the absorbance peak calibration method is within 3 %, and the inversion gas concentration error obtained by the absorbance integration method is within 1 %. From the inversion results, it can be seen that the accurate measurement of gas concentration in the presence of particulate matter can be achieved by extracting the slope of the output laser intensity to correct absorbance. [ABSTRACT FROM AUTHOR]

The fractal theory has been widely applied to the analysis of gas adsorption isotherms, which are used for the pore structure characterization in unconventional reservoirs. Fractal dimension is a key parameter that can indicate the complexity of the pore structures. So far, most fractal models for gas adsorption are for N2 adsorption, while fractal models for CO2 adsorption are rarely reported. In this paper, we built a fractal model for CO2 adsorption by combining a thermodynamic model and the Dubinin–Astakhov model. We then applied the new model to three CO2 adsorption isotherms measured on shale samples. The results show that the fractal dimension from the new model lies between 2 and 3, which agrees with the fractal geometry. The new model presented in this paper can be used for the CO2 adsorption analysis, which allows characterizing micropore structures in shales. [ABSTRACT FROM AUTHOR]

The distribution of gas and metals in the circumgalactic medium (CGM) plays a critical role in how galaxies evolve. The MUSE-ALMA Haloes survey combines MUSE, ALMA, and HST observations to constrain the properties of the multiphase gas in the CGM and the galaxies associated with the gas probed in absorption. In this paper, we analyse the properties of galaxies associated with 32 strong |${\rm H\, {\small I}}$| Ly-α absorbers at redshift 0.2 ≲ z ≲ 1.4. We detect 79 galaxies within ±500 kms−1 of the absorbers in our 19 MUSE fields. These associated galaxies are found at physical distances from 5.7 kpc and reach star formation rates as low as 0.1 M⊙ yr−1. The significant number of associated galaxies allows us to map their physical distribution on the Δ v and b plane. Building on previous studies, we examine the physical and nebular properties of these associated galaxies and find the following: (i) 27/32 absorbers have galaxy counterparts and more than 50 per cent of the absorbers have two or more associated galaxies, (ii) the |${\rm H\, {\small I}}$| column density of absorbers is anticorrelated with the impact parameter (scaled by virial radius) of the nearest galaxy as expected from simulations, (iii) the metallicity of associated galaxies is typically larger than the absorber metallicity, which decreases at larger impact parameters. It becomes clear that while strong |${\rm H\, {\small I}}$| absorbers are typically associated with more than a single galaxy, we can use them to statistically map the gas and metal distribution in the CGM. [ABSTRACT FROM AUTHOR]

The recycling and utilization of lithium-ion batteries has received a lot of attention. The use of recycled waste lithium-manganese batteries to degrade formaldehyde contaminated gas by adsorption is certainly killing two birds with one stone. In this paper, efficient catalysts capable of degrading formaldehyde were obtained using lithium-manganese button batteries being discharged to different levels and then recovering the cathode material by a simple method and labelled as LixMnO2 (x = 0.00; 0.25; 0.50; 0.75; 1.00). The fully discharged cathode material Li1.00-MnO2 degraded formaldehyde at nearly 100% (less than 0.1 ppm) within 24 h at room temperature, which is twice the degradation rate of the undischarged cathode material. The high degradation efficiency is attributed to the continuous doping of Li+ as the discharge proceeds and the conversion of Mn(IV) to Mn(III), so the lattice gap, defects, surface oxygen species and specific surface area of the catalyst increase. And the surface oxygen involved in the degradation of formaldehyde increases. The catalytic activity of the catalyst for formaldehyde gradually increased with the discharge, promoting the catalytic degradation effect. The degradation rate of formaldehyde at low concentrations was close to 100% within 24 h. This study provides an attractive approach for converting lithium battery electrode materials into formaldehyde degradation catalysts to improve the indoor environment. [ABSTRACT FROM AUTHOR]

CBM (Coalbed methane) belongs to unconventional natural gas mineral resources. The development and utilization of CBM can greatly reduce the occurrence of mine gas accidents, and how to improve the desorption capacity of CBM has always been a hot issue for researchers. Liquid nitrogen has obvious effect on coal seam cracking and permeability improvement. The purpose of this paper is to study the cracking mechanism of liquid nitrogen on coal, and provide a theoretical basis for using liquid nitrogen freezing and thawing to treat coal so as to improve the production of coalbed methane. Coal samples from Yangquan County, Shanxi Province were pretreated. The pore structure test, microscopic observation test and methane isothermal adsorption test were carried out after the coal samples with different particle sizes were treated with different liquid nitrogen freeze-thaw cycles. According to the experimental data, the evolution law of pores of coal before and after freezing and thawing with liquid nitrogen, the cracking mechanism of coal treated with freezing and thawing with liquid nitrogen, and the optimal number of freezing and thawing cycles with liquid nitrogen are analyzed. The results show that: 1) the evolution characteristics of pore structure of lower coal after liquid nitrogen freezing and thawing are that micropores in coal are promoted to develop into transition pores and mesopores, and mesopores and transition pores develop into macropores and fractures. 2) Through the observation of a metallographic microscope, the expansion degree of coal surface crack is positively correlated with the times of liquid nitrogen freeze-thaw. 3) Liquid nitrogen freeze-thaw treatment has an optimal number of cycles for the cracking degree of coal. With the increase of freeze-thaw cycles, the final adsorption capacity of coal pillar increases first and then decreases; The adsorption capacity of granular coal first increases and then decreases. After reaching freeze-thaw saturation, continued freeze-thaw is not conducive to the increase of adsorption capacity. These research results provide theoretical support for the implementation of liquid nitrogen fracturing and permeability enhancement technology in coal reservoirs. [ABSTRACT FROM AUTHOR]

In adsorption processes of the liquid or gas phase, a particular dynamic adsorption behavior caused by the reversible mechanical deformation (expansion or contraction) of absorption materials driven by the host–guest interaction is called "flexible adsorption," and the materials with this particular behavior can be called "flexible adsorption materials." Flexible absorption materials, such as crosslinked polymers, have received much attention from researchers due to their flexible framework structure and specific adsorption kinetics. They have shown great potential in gas storage and other energy applications. This paper reviews recent advances in the definition, theoretical development, and classification of flexible absorption materials. Potential application examples of flexible absorption materials in gas/liquid absorption and separation, functional devices, and energy catalysis are analyzed to guide their development. [ABSTRACT FROM AUTHOR]

In the present paper, the gas transport characteristics of amine‐functionalized MIL‐53 metal–organic frameworks (MOFs) integrated thin‐film nanocomposite (TFN) Pebax 2533 membranes dip‐coated over a polysulfone (PSF) layer were studied. Various characterization methods were used to investigate the impact of ligand functionalization by NH2 on the characteristics of the generated TFN membranes and their gas transport properties, including TGA, FESEM, BET, gas adsorption tests, and a series of CO2/CH4 mixed gas separation tests. According to the FESEM pictures, the NH2‐MIL 53(Al) particles were well distributed in the TFN membranes, with no apparent agglomeration, The gas adsorption experiment of NH2‐MIL 53(Al) particles showed that they adsorb CO2 selectively. The incorporation of NH2‐MIL 53(Al) into TFN membranes led to improved CO2/CH4 selectivity and increased gas permeability. In addition, CO2/CH4 selectivity and CO2 permeability of the CO2/CH4 mixed gas were enhanced from 11.05 to 26.55 and from 111.6 to 260.2 Barrer, respectively, when NH2‐MIL 53(Al) 20 wt% was added to the TFN membrane. In the CO2/CH4 mixed gas experiment, increasing the temperature from 30 to 50°C increased the permeability of both CH4 and CO2 while decreasing the CO2/CH4 selectivity. Furthermore, the performance of the prepared membranes was assessed at different feed pressures ranging from 4 to 8 bar. As the feed pressure increased, the CO2/CH4 separation improved. Also, with pure gas, the increase in NH2‐MIL53(Al) loading resulted in lower diffusivity selectivity amounts for the TFN membrane than for the pristine TFN, and solubility selectivity was enhanced from 5 to 20 wt% and was reduced to 25 and 30 wt% in the TFN, respectively. In the present study, the best results were obtained at 6 bar pressure, 30°C temperature, and 20 wt% loading of NH2‐MIL53(Al). [ABSTRACT FROM AUTHOR]

This paper presents the first systematic study on the characterization of dynamic adsorption regimes of gas in porous media using the ratio of inter- to intraparticle diffusion coefficients. The effect of the ratio between the two diffusion coefficients on the adsorption dynamics was investigated in combination with the adsorbent particles size and the disorder parameter, which numerically describes pore space heterogeneity, by mathematical modelling using the lattice Boltzmann simulations for fluid flow and the convective-diffusive transport of an adsorbate dissolved in a fluid. To characterize the dynamic adsorption regimes, for the first time, a relationship between the surface and total adsorption amount was used. The obtained results during simulations in two-dimensional synthetic porous structures showed that the size of the adsorbent particle strongly affects the surface and the total adsorption dynamics. An increase in the particle size promotes an increase in the rate of surface adsorption. Depending on the ratio of inter- to intraparticle diffusion coefficients, increasing particle size promotes either an acceleration or slowdown of the total adsorption dynamics. The results revealed in two-dimensional structures were verified by simulations in three-dimensional digital models of natural sandstones, which were obtained using X-ray computed tomography. • Adsorption dynamics regimes are characterized using diffusion coefficients. • Reducing particle size can both speed up and slow down total adsorption dynamics. • Pore space heterogeneity decelerates total adsorption dynamics. • The results obtained for 2D structures are validated for 3D natural rocks. [ABSTRACT FROM AUTHOR]

In this paper, the geometric and electronic structure of four gas molecules, including CH4, CH2O, CH3Cl and C6H6, on pristine and Cu/Ni‐modified C3N monolayer are investigated by using First principles. The calculations show that the Cu/Ni‐doping can effectively strengthen the gas adsorption ability of C3N. Upon gas‐C3N configuration, the adsorption energies are CH2O (0.11 eV) > C6H6 (0.09 eV) > CH3Cl (0.08 eV) > CH4 (0.05 eV). For Cu‐C3N configuration, the adsorption energies are C6H6 (3.26 eV) > CH3Cl (3.24 eV) > CH4 (3.22 eV) > CH2O (3.13 eV). For Ni‐C3N configuration, the adsorption energies are CH2O (1.48 eV) > C6H6 (0.66 eV) > CH3Cl (0.39 eV) > CH4 (0.11 eV). It is worth mentioning that the magnetic moment is reduced to 0 µB when CH2O are adsorbed on Cu/Ni‐C3N, and the maximum charge transfer is 0.71 e, 0.62 e, respectively. Moreover, its optical properties of adsorption of Volatile organic compounds (VOCs) gas molecules are studied. It can be found that the two main absorption peaks locate at 3.0 × 105 cm−1 nm and 2.8 × 105 cm−1 nm at the range of ultraviolet and visible light. The calculated results provide the theoretical reference for Cu‐C3N‐based VOCs sensors. [ABSTRACT FROM AUTHOR]

• Seasonal performances of gas-driven NH 3 -H 2 O absorption heat pumps are compared. • Single effect, Generator Absorber eXchange, and Vapor cycles are considered. • Fixed, double, and variable restrictors in the solution branch are considered. • The use of variable restrictors increases the seasonal gas utilization efficiency. • Performances increase up to 12%, especially for the advanced cycles (GAX and VX). Gas-driven absorption heat pumps are a valid alternative to condensing boilers for non-insulated buildings with radiators as emission system. In fact, they can provide high supply water temperatures with limited performance degradation. However, their seasonal performance is often limited by suboptimal operation at partial load conditions, due to the reduced generator temperature. In this paper, the use of variable and double restrictor on the solution branch between generator and absorber are investigated as possible options to optimize the generator temperature at different operating conditions. The seasonal gas utilization efficiency (SGUE) of three different absorption cycles is compared through numerical simulations using the approach proposed by the standard EN12309. The considered cycles are the single effect cycle (SE), the Generator-Absorber eXchange cycle (GAX), and a version of the Vapor eXchange cycle (VX). Results show that the use of a double restrictor provides an improvement of the SGUE of 7% for the VX cycle, 6% for the GAX cycle and 2% for the SE cycle, compared to the classic fixed restrictor cases. The variable restrictor provides an increase of the SGUE of 12%, 10%, and 2.3% for VX cycle, GAX cycle, and SE cycle respectively. The variable restrictor provides the best performances because it can optimize the generator temperature for every working condition, while the double restrictor gives remarkable improvements with a simpler and easier to be controlled approach. Advanced cycles obtain the highest performance improvements because an appropriate temperature in the generator is of paramount importance for their correct operation. [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]

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]