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Cellulose-based material has been increasingly used as a suitable substrate for depositing metal–organic frameworks (MOFs) in recent years. In this work, MOFs (Cu-BTC) were deposited onto carboxymethylated filter paper (CMP) using four different preparation procedures: one-pot, two-step, layer-by-layer-organic (LbL-org), and layer-by-layer-water-organic (LbL-wtr-org). The products (Cu-BTC@CMP) were comparatively characterized by SEM, ATR FT-IR, XRD, and BET specific surface area analyses. The Cu-BTC crystals were immobilized on the CMP surface, where different deposit ratios (1.31% for one-pot, 4.23% for two-step, 31.49% for LbL-org, and 39.38% for LbL-wtr-org, respectively) were obtained when different preparation procedures were used under the precondition of the same chemical dosage and reaction time. The Cu-BTC crystals were found to grow in the main solution rather than on the substrate surface and the layer-by-layer method would contribute to a remarkable quantity of MOFs depositing onto the substrate surface. The crystals on Cu-BTC@CMP surface prepared by LbL-wtr-org procedure presented a much larger particle size and rougher surface compared to those prepared by the LbL-org procedure due to the aqueous solution of copper precursor. Depositing more Cu-BTC onto CMP surface also endowed the composite prepared by LbL-wtr-org procedure with the highest gas adsorption capacity (1.59 × 102 m2/g of BET specific surface area). Hence, the LbL-wtr-org procedure will be an optimal pathway for depositing metal–organic frameworks onto cellulose-based materials with the advantages of saving organic solvents and best gas adsorption ability. [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]

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]

In this paper, composite materials made of cellulose paper and MOF-5 (Zn(BDC)) Metal organic frameworks (paper@MOF-5) materials, were prepared by an in situ synthesis method using precipitated calcium carbonate (PCC) filled cellulose papers. PCC fillers in the cellulose paper led to decreased inter-fiber bonds, thus facilitating the formation of small-sized MOF-5 crystals. The resultant cellulose paper@MOF-5 composites exhibited zeolite-like frameworks with high specific surface areas. The composite materials were characterized by XRD, ATR-FTIR, SEM and nitrogen adsorption analysis. The results supported the conclusion that the prepared cellulose paper@MOF-5 composite materials have great potential in gas (N, CH, H, CO, etc.) adsorption. [ABSTRACT FROM AUTHOR]

High resolution solar absorption spectra, taken within the Network for the Detection of Atmospheric Composition Change (NDACC) in the mid-infrared spectral region are used to infer partial or total column abundances of many gases. In this paper we present the retrieval of a column averaged mole fraction of carbon dioxide from NDACC-IRWG spectra taken with a Fourier-Transform-Infra-Red (FTIR) spectrometer at the site in Ny-Ålesund, Spitsbergen. The retrieved time series is compared to co-located standard TCCON measurements of total column CO2. Comparing the NDACC and TCCON retrievals we find that the sensitivity of the NDACC retrieval is lower in the troposphere (by a factor of two) and higher in the stratosphere, compared to TCCON. Thus, the NDACC retrieval is less sensitive to tropospheric changes (e.g. the seasonal cycle) in the column average. [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]

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]

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 work, we examine two modifications of fine-ground calcium carbonate material (GCC) in order to enhanced sorption of NO2 and subsequent reaction properties toward NO2−/NO3− formation by firstly exposing the GCC to supercritical (sc) CO2 in order to increase particle surface area, a choice specifically made to avoid altering the surface chemistry, and secondly considering the potential advantage of using a surface coupling agent toward NO2. The modification by the coupling agent amino silane (AMEO silane) was applied in a supercritical CO2–ethanol mixture. The samples were characterised before and after modification by field emission scanning electron microscopy (FESEM), specific surface area determination (BET nitrogen adsorption), ATR-FTIR spectroscopy and ion chromatography to reveal the effects of the surface modification(s) on the morphology, surface textural properties and sorption versus reaction properties with NO2. The performance of the treated sorbents for NO2 capture was evaluated at room temperature. Results show that reactivity of NO2 with GCC was observed to increase as a function of increased surface area resulting from scCO2 exposure, but that the presence of AMEO silane on the surface, while enhancing initial adsorption of NO2 was seen subsequently to act to block reactivity. Thus, judicious use of coupling agent can provide desired rapid initial adsorption of the gas, but the goal of long-term CaCO3-consuming reactivity, so as to prolong the uptake of NO2 beyond surface saturation alone, is achieved by increasing surface area while retaining chemical-free exposed CaCO3 surface. [ABSTRACT FROM AUTHOR]

The contribution of Eunice Foote (1819-1888) to early understanding of the relationship between atmospheric gases and climate change has become a focus of interest in the scholarly community and more widely on social media. In this article we offer a detailed interpretation of both of her known published papers, focusing particularly on her first and most significant paper of 1856, in which she related changes in the types and amounts of atmospheric gases, including carbon dioxide, to warming and changes in climate. We trace the derivation of her ideas and explore how she constructed, carried out, and interpreted her experiments. [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]

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]

We present the MPI-Mainz UV/VIS Spectral Atlas, which is a large collection of absorption cross sections and quantum yields in the ultraviolet and visible (UV/VIS) wavelength region for gaseous molecules and radicals primarily of atmospheric interest. The data files contain results of individual measurements, covering research of almost a whole century. To compare and visualize the data sets, multicoloured graphical representations have been created. The Spectral Atlas is available on the internet at http://www.uv-vis-spectral-atlas-mainz.org. It now appears with improved browse and search options, based on new database software. In addition to the web pages, which are continuously updated, a frozen version of the data is available under the doi:10.5281/zenodo.6951. [ABSTRACT FROM AUTHOR]

It is of great significance for coal mining and utilization to study the adsorption process of mixed gas in coal. In this paper, the Monte Carlo method (MC) is employed to study the competitive saturation adsorption of oxygen and water vapor inside coal particles, and then the convection, diffusion and adsorption inside and between particles are studied by lattice Boltzmann method (LBM). In addition, this study examines the impacts of porosity, average particle size, and gas concentration on the process of adsorption in coal porous media. The research results show that oxygen and water vapor present in the mixed gas experience increased permeability, diffusion rate, and saturated adsorption capacity as the porosity and average particle size of the coal porous medium increase. However, the time required to achieve saturated adsorption decreases. Under the condition of maintaining the proportion of gas components and altering the initial gas concentrations from 4.087 to 53.131 mol/m3, saturated adsorption capacity of both gases remains nearly unchanged. Yet, the effective diffusivity of gases declines with increasing initial concentration. Additionally, it is also found that water vapor diffuses more quickly than oxygen in the mixed gas and achieves adsorption saturation faster. [ABSTRACT FROM AUTHOR]

Taking the Longmaxi deep-marine shale gas reservoir in Zigong region as the research target, this paper aimed to characterize the nano-scale pore structure and investigate the reservoirs' heterogeneity based on fractal theory. By conducting a series of experimental studies, mainly including TOC, XRD, gas adsorption (N2 and CH4), we were able to clarify the main controlling factors for the heterogeneity of deep shale pore structure. Our results indicated that the deep marine shale possessed a significant amount of organic matter, as the average TOC value is 3.68%. The XRD analysis results show that quartz and clay were the main mineral types, and the total content of these two minerals averaged 77.5%. Positive correlations were observed between TOC and quartz, while TOC decreases as the clay mineral increases, this discovery indicating that quartz is biogenic. Based on FHH (Frenkele-Halseye-Hill) method, by using the LTNA adsorption isotherms, we took relative pressure P/P0 = 0.5 as the boundary, then two separate fractal dimension were deduced, D1 and D2 represent the fractal characteristics of small and large pores, respectively. Our study revealed that both D1 and D2 demonstrated positive correlations with N2 adsorption pore volume and adsorption specific surface area, while negatively correlated with the adsorption average pore diameter. Moreover, the two fractal dimensions showed positive associations with TOC and quartz and negative associations with clay. Additionally, D1 and D2 also demonstrated a positive correlation with Langmuir volume. The presence of micropores was found to significantly influence the formation of an irregular pore structure in shale. As the pore size decreased, the adsorption specific surface area increased, resulting in a more intricate pore structure, and the fractal dimension of the pores elevated, ultimately. This intricate structure is beneficial for the accumulation of shale gas. These research findings offer valuable insights for the comprehensive assessment of deep shale gas, and enrich our knowledge of enrichment mechanisms in deep shale gas reservoirs. [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]

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]

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]

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]

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]

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]

The article presents a study that investigates the effectiveness of optical visualizations of adsorption processes of contaminants at bubble surfaces, a process which is considered important to the paper recycling industry. Among the contaminants identified are inks, adhesives, and other additives which are removed from recycled fiber in froth flotation cells. The high magnification and high speed visualizations indicated that toner ink readily adsorbed to bubble surfaces in deionized water and in fatty-acid chemistries at ph 9.5. Image analysis was applied to estimate the percentage of bubble coverage and the mass of ink attached to a bubble where it can carry of more than 1 milligram of toner ink.

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]

An experimental examination of a novel device for enhancing the gas absorption into an aqueous absorbent flowing down the outer wall of a vertical cylinder was reported. This device utilizes flexible strings tightly wound around the cylinder, taking the form of a multiple helix. The absorbent flows along parallel channels partitioned by the strings, maintaining mutual contact with the surrounding gas for a longer time than it would when it flows down the same cylinder wall in the absence of such strings. Both flow-observation experiments and absorption experiments using water as the absorbent flowing along a single helical channel and carbon dioxide as the gas to be absorbed were carried out. The effectiveness of the helical-flow device for promoting the absorption was recognized at water flow rates high enough to induce an oscillatory flow mode accompanied by periodical liquid−gas interface deformation. © 2013 American Institute of Chemical Engineers AIChE J, 59: 3109-3118, 2013 [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]

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]

Zeolite LTA, with high porosity and uniform pore distribution, has been widely used in the gas adsorption field. In this paper, a 1.38 nm thick two-dimensional zeolite LTA was synthesized from kaolin, changing the cubic morphology of the traditional zeolite LTA. SEM and TEM images showed that the zeolite LTA exhibited a lamellar structure. In a comparative experiment with CO2 adsorption at different temperatures, the 2D zeolite LTA with a large specific surface area could capture more CO2 than the conventional 3D zeolite LTA. In addition, the CO2/CH4 selectivity of the 2D Zeolite LTA was 76.78 at 298 K. [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]

In a previous paper [J. L. McAfee and B. Poirier, J. Chem. Phys. 130, 064701 (2009)], using spin-polarized density functional theory (DFT), the authors reported a binding energy of 0.755 eV, for a single hydrogen atom adsorbed on a pristine (unrelaxed) (5,5) single-walled carbon nanotube (SWNT) substrate. A full three-dimensional (3D) potential energy surface (PES) for the SWNT-H system was also developed, and used in a quantum dynamics calculation to compute all rovibrational bound states, and associated equatorial and longitudinal adsorbate migration rates. A highly pronounced preference for the latter migration pathway at ambient temperatures was observed. In this work, we extend the aforementioned study to include multiple H-atom adsorbates. Extensive DFT calculations are performed, in order to ascertain the most relevant dynamical pathways. For two adsorbates, the SWNT-H-H system is found to exhibit highly site-specific binding, as well as long-range correlation and pronounced binding energy enhancement. The latter effect is even more pronounced in the full-hydrogenation limit, increasing the per-adsorbate binding energy to 2.6 eV. To study migration dynamics, a single-hole model is developed, for which the binding energy drops to 2.11 eV. A global 3D PES is developed for the hole migration model, using 40 radial × 18 cylindrical ab initio geometries, fit to a Fourier basis with radially dependent expansion coefficients (rms error 4.9 meV). As compared with the single-adsorbate case, the hole migration PES does not exhibit separate chemisorption and physisorption wells. The barrier to longitudinal migration is also found to be much lower. Quantum dynamics calculations for all rovibrational states are then performed (using a mixed spectral basis/phase-space optimized discrete variable representation), and used to compute longitudinal migration rates. Ramifications for the use of SWNTs as potential hydrogen storage materials are discussed. [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, 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]

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 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]

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]

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]

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]

The surface states of gas sensing materials based on oxide semiconductors are closely related to their sensing dynamics. In this work, using surface engineering, p-type ZnCo2O4 architectures are prepared through a feasible hydrothermal strategy followed by subsequent annealing treatment and are applied for the detection of inert xylene gas. The as-prepared ZnCo2O4 architecture (ZCO-300) exhibits a higher response and selectivity toward xylene gas at a working temperature of 170 °C. Moreover, the ZCO-300 sensor also presents superior stability/reliability, good moisture resistance and a low detection limit of 0.1 ppm. The larger number of oxygen vacancy defects and higher specific surface area in ZCO-300 not only promote the catalytic oxidation of xylene gas by p-type semiconductor ZnCo2O4, but also provide more gas adsorption sites and surface reaction sites on sensing material surfaces, thereby endowing ZCO-300 with superior xylene gas sensing properties. [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]

In X-ray fluorescence (XRF) analysis, which has been used to analyze elements in various samples, it is important to decrease the background (BG) intensity. Generally, BG signals are reduced by inserting metal foils of various types and thicknesses between the X-ray tube and sample as primary X-ray filters. In this study, we developed a unique gas filter-XRF (GF-XRF) instrument to easily reduce the BG effect by changing the pressure of the gas to ensure that the absorption edge of the gas element is slightly lower than the energy of the XRF peak of the target element. The advantage of using a gas is that the gas pressure can be altered easily. To evaluate the performance of this instrument, Ti and Zr were selected as target elements, and Ar and Kr were selected as the filtering gases. When the XRF spectra of the Ti sample were recorded using the Ar gas filter, as the Ar gas pressure increased, the background signal in the energy region of the Ti Kα peak decreased, resulting in an increase in the signal-to-noise ratio (SNR) of that peak. When the Kr gas filter was used, both the SNR and the minimum detection limit of Zr improved. These results demonstrate that the unique GF-XRF instrument is useful for high-sensitivity analyses. [ABSTRACT FROM AUTHOR]

Metal-organic cages (MOCs) are an emerging class of porous materials with promising applications. However, controlling the configuration of the cage packing, which can influence the overall porosity of the materials, remains a difficulty, as many factors can influence the cage assembly and stacking. Herein, we report a solvent strategy to fine-tune the packing configuration of a bilayer MOC, a small triangular prism cage (six Cu ions act as vertices, three nitrate ions act as pillars, and six nitrate ions act as caps) incorporated into a large triangular prism cage (another six Cu ions act as vertices, a couple of oxygen atoms act as pillars and six ligands (L1: 3,5-bis(pyridine-3-yl)-4H-1,2,4-triazole) act as a jointed cap) by the coordination between the triazole nitrogen from L1 and the inner vertex Cu ions. The involved solvents water, acetonitrile (MeCN) and N,N'-dimethylformamide (DMF) form hydrogen bonds with this bilayer MOC, resulting in three different types of packing associated with systemically tuned porosity (NTU-93: 12.2%, NTU-94: 19.3%, and NTU-95: 42.1%). Gas adsorption and breakthrough tests demonstrate that NTU-95 has potential ability for C2H2/C2H4 separation. This work not only shows a case of finely tuned packing of coordination cages, but also provides a powerful tool that may be extended to other cage families. [ABSTRACT FROM AUTHOR]

We describe a latex wet coalescence method for gas-phase immobilization of microorganisms on paper which does not require drying for adhesion. This method reduces drying stresses to the microbes. It is applicable for microorganisms that do not tolerate desiccation stress during latex drying even in the presence of carbohydrates. Small surface area, 10-65 μm thick coatings were generated on chromatography paper strips and placed in the head-space of vertical sealed tubes containing liquid to hydrate the paper. These gas-phase microbial coatings hydrated by liquid in the paper pore space demonstrated absorption or evolution of H, CO, CO or O. The microbial products produced, ethanol and acetate, diffuse into the hydrated paper pores and accumulate in the liquid at the bottom of the tube. The paper provides hydration to the back side of the coating and also separates the biocatalyst from the products. Coating reactivity was demonstrated for Chlamydomonas reinhardtii CC124, which consumed CO and produced 10.2 ± 0.2 mmol O m h, Rhodopseudomonas palustris CGA009, which consumed acetate and produced 0.47 ± 0.04 mmol H m h, Clostridium ljungdahlii OTA1, which consumed 6 mmol CO m h, and Synechococcus sp. PCC7002, which consumed CO and produced 5.00 ± 0.25 mmol O m h. Coating thickness and microstructure were related to microbe size as determined by digital micrometry, profilometry, and confocal microscopy. The immobilization of different microorganisms in thin adhesive films in the gas phase demonstrates the utility of this method for evaluating genetically optimized microorganisms for gas absorption and gas evolution. [ABSTRACT FROM AUTHOR]

Among other porous materials, porous organic polymers have already been proven to be a valuable alternative for the selective adsorption of CO2 over N2. In a rational design of new porous organic systems, computational methods can help us to better understand structural features responsible for efficient and selective adsorption of gases. In this paper, a comprehensive approach relying on complementary computational chemistry methods including calculation of binding energies, visualization of electrostatic potential maps and using GCMC simulations to obtain adsorption isotherms and density plots is suggested for a detailed analysis of nitrogen--nitrogen linked porous organic systems. Three different linkages (azo, azoxy and azodioxy) and two different connectors (trisubstituted benzene and triazine) were computationally investigated referring to similar hexagonal porous organic structures. Considering the reversibility in azodioxy bond formation, azodioxy-based 2D layered structures, along with azoxy systems, seem to be new promising candidates for future development of porous organic materials capable of selective binding of CO2 over N22. [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]

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]

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]

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]

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]

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]