Adsorption Of Components Research Articles

Ruta graveolens Plant Extract as a Green Corrosion Inhibitor for 304 SS in 1 M HCl: Experimental and Theoretical Studies

This study evaluated the corrosion inhibitory effects of Ruta graveolens leaf extract for 304 stainless steel in 1 M HCl. The analysis of the leaf extract using HPLC indicated that the primary compounds present in the leaf extract were rutin, caffeic acid, p-coumaric acid, and apigenin. The inhibition efficiency (IE%) of the extract was studied using weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and computational simulation (density functional theory, DFT). The effects of the inhibitor concentration and solution temperature were investigated. The results indicated that the IE% increased for increasing concentrations of the extract, while the reverse was true with increasing temperatures. At 25 °C and a 600 ppm extract concentration, the results indicated a maximum inhibition efficiency of 95%, 98%, and 96% by weight loss, potentiodynamic polarization, and EIS techniques, respectively. SEM observations showed a significant change in the surface morphology of the 304 SS with and without the addition of the inhibitor compound. At all temperatures, the adsorption of the inhibitor components onto the 304 SS surface was found to follow the Langmuir isotherm model, and the inhibition process was governed by physical adsorption. Furthermore, chemical interactions between the inhibitor and the 304 SS steel surface were elucidated via density functional theory (DFT) calculations.

Enhanced removal of Fe, Cu, Ni, Pb, and Zn from acid mine drainage using food waste compost and its mechanisms

Heavy metals (HMs) in acid mine drainage (AMD) pose serious threats to aquatic life and soil. Biosorbents are promising materials to remove HMs from wastewater. Herein, food waste compost was used as a low-cost and sustainable biosorbent to remove Fe3+, Cu2+, Ni2+, Pb2+, and Zn2+ from an AMD and other model solutions with an initial pH of 2.24. Batch adsorption tests were conducted to systematically investigate the influences of initial pH, compost dose, the presence of Fe3+ and SO42− ions, and the pH-induced Fe precipitates on the removal performance. The involved removal mechanisms were explored by conducting stepwise precipitation tests, sequential extraction tests, and Fourier transform infrared spectroscopy (FTIR) characterization. It was found that the addition of the compost removed over 90% of Zn, Ni, Cu, and Pb at pH 5.80, 5.50, 4.50, and 3.00, respectively. At low compost doses, the presence of Fe3+ and SO42− ions hindered the removal since the competition effect of Fe3+ ion and lower absorbability of metal-sulfate complexes, respectively. Sequential extraction tests revealed that higher fractions of Fe, Cu, and Pb were strongly immobilized through complexation and precipitation relative to Ni and Zn. Additionally, the pH-induced Fe precipitates did not favor the removal of the HMs, probably due to the adsorption of organic components released from the compost. This study suggests that compost have the potential to remove HMs from acidic wastewater without pre-neutralization.

Differential adsorption of H2S/CH4 by bituminous coal and its competitive adsorption properties

To investigate the adsorption characteristics and competitive adsorption patterns of H2S and CH4 in coal seams, we conducted a combined experimental and molecular simulation study using Ningxia Shuangma bituminous coal as the research subject. The experiments examined the adsorption of single-component H2S and CH4 gases at different temperatures and pressures, while the molecular model of bituminous coal was used to analyze the adsorption patterns of binary gas mixtures under competing conditions. Our experimental results demonstrate that both H2S and CH4 follow Langmuir’s model, with their saturated adsorption positively correlated with pressure but negatively correlated with temperature. Moreover, under identical conditions, H2S exhibits 2.43 times higher saturated adsorption than CH4. Molecular simulations reveal that temperature has a greater impact on H2S compared to CH4; both gases undergo reversible physisorption, where isosteric heat of adsorption decreases linearly with increasing amount of adsorbate molecules; interaction energy for H2S is larger in absolute value than that for CH4, indicating its stronger affinity towards coal surfaces; regarding binary component adsorption, an increase in proportion of H2S within the gas mixture leads to higher saturation adsorptions for both the mixture itself and individual H2S molecules while decreasing saturation adsorption for CH4; Coal adsorption selectivity factor for H2S/CH4 > 1. The preferential occupation of high-energy adsorption sites is more likely to be observed for H2S. The adsorption capacity and competitive adsorption capacity of H2S were greater than that of CH4.

A chitosan macroporous hydrogel integrating enrichment, adsorption and delivery of blood clotting components for rapid hemostasis

Traditional hemostatic hydrogels face considerable limitations in achieving rapid control of severe bleedings, a crucial factor in reducing casualties in both military and civilian settings. This study presents a chitosan-based hemostatic hydrogel with interconnected secondary macropores designed to enhance interactions with blood clotting components by reducing diffusion resistance and increasing contact area. The macropores were created using a straightforward process involving NaOH-mediated SiO2 template dissolution and NH3 generation. The resulting macroporous structure increased the hydrogel's overall porosity without compromising its viscoelasticity. Functional studies demonstrated that the macroporous hydrogel effectively concentrated and adsorbed blood clotting components, while also facilitating the delivery of artificially embedded clotting factor to further expedite clot formation. These combined actions resulted in improve hemostatic efficacy, reducing whole blood clotting time by over 94 % in vitro. Furthermore, in vivo studies using rat tail amputation and liver injury models showed a reduction in blood loss by over 65 % and a decrease in bleeding time by over 70 %. Additionally, the porous chitosan hydrogel exhibited minimal biotoxicity and promoted biodegradability in vivo. In conclusion, this work introduces a macroporous chitosan-based hemostatic hydrogel with great potential for rapid hemorrhage control.

Adsorbent Properties of Porous Boron Nitride and Activated Carbon: A Comparative Study.

Porous boron nitrides possess beneficial properties such as high thermal and chemical stability which are critical for applications in adsorption processes. In order to assess possible fields of applications, trace-level adsorption isotherms of different hydrocarbons on two synthesized porous boron nitrides and two commercial activated carbons are compared. By normalizing the adsorptive loadings on the micropore surface area, superior adsorption performances of the BN materials on polar and aromatic adsorptives with up to 50% higher loadings compared to the activated carbons can be shown. Nonpolar adsorptives, on the other hand, feature higher specific loadings on the activated carbon. Consequently, the size of the micropore surface appears to be decisive for nonpolar adsorptives, while the higher polarity of the boron nitrides is the dominant influencing factor for the adsorption of polar and aromatic components. For an energetic study of the adsorbents, calorimetric experiments were performed to identify and discuss adsorbent-adsorptive interactions. While the initial heat of adsorption of the nonpolar n-hexane is lower on the boron nitride than on the activated carbon due to a less favorable spatial arrangement, toluene shows comparable values on both adsorbent classes and the polar acetone shows higher values on the polar boron nitride. Considering technical applications in adsorption technology, the thermal stability of the boron nitrides is investigated using spontaneous ignition temperatures and points of initial oxidation. Here, the porous boron nitrides with oxidation temperatures above 900 °C show about 400 °C higher values and thus a significantly higher thermal stability.

Supramolecular deep eutectic solvents: Current advances and critical evaluation of cyclodextrins from solute to solvent in emerging functional food.

The acceptance of nonconventional solvents as viable substitutes for traditional organic solvents has been widely recognized in order to comply with food-safety and sustainability regulations. Cyclodextrins (CDs), derived from starch, are cyclic oligosaccharides with the ability to form inclusion complexes with a variety of functional substances as the result of their distinctive structure, which enables them to effectively encapsulate bioactive compounds, rendering them highly sought after for use in food applications. In the implementing plan to achieve carbon-neutral emissions by 2050, the novel generation of supramolecular deep eutectic solvents (SUPRADES) has garnered increased attention and interest. The approach of utilizing SUPRADES as emerging solvents was just beginning to be applied to food studies. This review summarizes a revision of the current advances and critical evaluation of cyclodextrin-based SUPRADES (CD-based SUPRADES) as promising solvents for the enhancement of the extraction efficiency, solubilization and stability of bioactive compounds, adsorption and separation of food components, packaging materials, and modification of biopolymers. To meet the sustainable processing needs of the food industry, the emerging categories of CD-based SUPRADES need to be further fabricated. Herein, our review will sort out the potential application of CD-based SUPRADES in the food industry, aiming to provide a better understanding of CD-based SUPRADES within the viewpoint of food science. Formulation intricacies and scalability issues in real functional foods using CD-based SUPRADES as media need more efforts.

Study on the mechanism of competitive adsorption on the surface of potassium carbonate during direct air capture process

Direct air capture carbon dioxide (DAC) technology has the potential to achieve negative carbon emissions. Alkali metal-based absorbents (the active ingredient is mainly potassium carbonate or sodium carbonate) have a broad application prospect in DAC field. There is a paucity of reports on the competitive adsorption of major components of air on adsorbent surfaces. In this paper, the competitive adsorption behaviors of CO2, H2O, N2, and O2 on the surface of K2CO3 were investigated based on first principles and density functional theory (DFT), the synergic competition mechanism of each gas during adsorption was revealed by analyzing the parameters of adsorption energy, charge transfer, weak interactions and so on. The results showed that the maximum adsorption energy of CO2 by K2CO3 was 0.557 eV, and the relationship between the maximum adsorption energies of the four gases was O2 > H2O > CO2 > N2. The interaction between H2O and CO2 during co-adsorption inhibited their adsorption on the K2CO3 surface, especially weakening the adsorption effect of the surface O atoms on the H2O. Under CO2_N2_O2 gas composition, CO2 chemisorption occurred due to the strong oxidizing property of O2, the charge transfer effect commonly existed in the adsorption process of each gas, which contributed the most to O2 adsorption. The obtained results can further deepen the decarbonization mechanism of alkali metal-based adsorbents.

A Multiple-physics coupled model for nanoconfined CO2-CH4 mixture transport behavior: Implications for CO2 geological storage in ultra-tight formation

Considerable efforts have been made to examine the feasibility of CO2-enhanced gas recovery (CO2-EGR), a promising approach for improving gas recovery by using CO2 to displace in-situ CH4 in ultra-tight gas reservoirs rich in nanopores. However, most research has focused on either single-component gas flow physics or competitive adsorption of multiple gas components in nanopores. The flow behavior of nanoconfined CO2-CH4 mixtures remains an area of knowledge gap. This work establishes a theoretical framework for CO2-CH4 mixture flow capacity by coupling mixture flow in the bulk region with surface diffusion in the adsorption area. Results indicate that: a) Total mixture flow conductance increases rapidly at pressures below ∼10 MPa, with CO2 contributing over 99 % to surface diffusion conductance; b) Increasing CO2 molar ratio from 0.2 to 0.8 can lead to a 167 % enhancement in total mixture conductance; c) Variations in CO2-CH4 competitive adsorption characteristics have little impact on total conductance.

Impact of Seawater Immersion of (Zn0.5Ni0.5Fe2O4)x(Bi, Pb)-2223 Composites

This work investigated the effects of adding Zn0.5Ni0.5Fe2O4 nanoparticles in (Bi, Pb)-2223 superconductor. The conventional solid-state reaction method was used to create (Zn0.5Ni0.5Fe2O4)x(Bi, Pb)-2223 composites (0.00 ≤ x < 0.40 wt. %). X-ray diffraction (XRD) revealed the main phase of the tetragonal (Bi, Pb)-2223. The morphology and elemental contents of the produced samples were investigated using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). When compared to the pure (Bi, Pb)-2223 sample, EDX verified that adding Zn0.5Ni0.5Fe2O4 to the superconductor improved the adsorption of saltwater components. Vickers microhardness (Hv) was measured at room temperature for 30 seconds with different applied forces (0.49 to 9.80 N) and different durations of the saltwater immersion (2, 6, 12, and 24 hours). Hv increased with increasing the immersion time in seawater from 2 to 24 hours. An optimum improvement (69.08%) was obtained for an addition of 0.04 wt. % of Zn0.5Ni0.5Fe2O4, where Hv values increased from 0.524 GPa to 0.886 GPa. With a deviation of less than 5%, the indentation-induced cracking (IIC) model provided the best theoretical analysis at the plateau limit region for measurements made before and after immersion in seawater.

Sodium alumino silicate (SAS) neem nanocomposite – A novel seed storage tool against toxigenic Aspergillus flavus causing deterimental effects on seeds health and quality of rice

Infection of rice grains in the field during harvest and storage by Aspergillus flavus, a toxigenic mold causes significant losses to market acceptability of seeds due to its detrimental effects on seed health and quality parameters. Production of aflatoxin by A. flavus interferes with physiological factors affecting the quality of seeds during storage in addition to nutritional losses to the grains. Chemical seed treatments are generally not recommended during storage due to their adverse effects on seed germination and vigor. Leaves of the neem tree (Azadirachta indica) are well known for antifungal properties against phytopathogenic fungi such as A. flavus. The paper presents the effect of neem leaf extract adsorbed onto sodium alumino-silicate (SAS) nanoparticles against A. flavus in rice seeds during storage. SAS-Neem nanocomposite, a novel unexplored seed storage material against toxigenic A. flavus, was synthesized for augmented antitoxin and seed invigorating potential. The nanocomposite was characterized using an array of microscopic and spectroscopic methods to evaluate the adsorption of neem leaf extract components on SAS nanoparticles. The antifungal mechanism of the nanocomposite was evaluated via scanning electron microscope, phase contrast, and fluorescence microscopy. The toxin analysis of pathogen-inoculated seeds was carried out at monthly intervals for 6 months during storage of two rice varieties, i.e. PR114 and Pusa-Basmati 1121. The results indicated that the nSAS-Neem composite used as seed coating material maintained significantly higher seed germination (86.23 and 81.49%) and minimized seed rot (6.70 and 5.30%, respectively) in the two varieties under study than the control after 6 months of storage. There was a notable decrease in toxin concentration from 20.58 to 11.19 μg/kg and 19.16 to 12.58 μg/kg in seeds of the two varieties i.e. PR114 and Pusa Basmati 1121, respectively. The nano-composite proved effective against toxigenic A. flavus during seed storage of rice without compromising the seed quality parameters.

Adsorption of bile salts onto crystalline ritonavir particles under simulated gastrointestinal conditions

The formation of a biomolecular corona on nanoparticles in blood is a well-known phenomenon influencing in vivo performance. Analogous phenomena in other biological fluids, such as the formation of a gastrointestinal (GI) corona, remain under-investigated. The ingestion of medicines leads to the generation of drug particles in the GI fluids. Consequently, an understanding of the behavior of drug particles in the gut requires determination of the adsorption of bile components onto these drug particles. This work aims to elucidate the factors affecting adsorption of bile salts onto ritonavir (RTV) particles. Crystalline RTV particles were incubated with non-micellar or micellar bile salts and bile salt depletion from solution was measured using HPLC and small angle X-ray scattering (SAXS). HPLC results show that bile salts adsorb onto RTV particles, with greater adsorption observed for more hydrophobic bile salts, following the order sodium glycodeoxycholate (SGDC)>sodium taurodeoxycholate (STDC)>sodium glycochenodeoxycholate SGCDC>sodium glycocholate (SGC)>sodium taurocholate (STC). Increasing the ionic strength of the solution led to increased adsorption of STDC, where buffer containing 300 mM NaCl resulted in greater adsorption than 150 mM NaCl. Additionally, micellar bile salts showed greater affinity for RTV particles than unimeric bile salts. In contrast, the extent of bile salt depletion was unaltered by addition of phospholipid to form mixed micelles. SAXS analysis of mixed micelles after incubation with RTV particles confirms depletion of bile salt from the supernatant, evidenced by reduced intensity of the micellar scattering feature. In conclusion, this study investigated factors influencing bile salt adsorption onto drug particles, highlighting the need to consider adsorption of bile components in forming the GI-corona.

The effect of Artemisia capillaris leaf extract as a benign corrosion inhibitor on the performance of Al–air batteries

The self-corrosion of the aluminum anode reduces largely the performance of Al-air batteries. Herein, we report on the effect of Artemisia capillaris leaf extract (ACLE) as a benign corrosion inhibitor on the performance of Al-air batteries in 4 M NaOH electrolyte. The hydrogen evolution tests, electrochemical measurements, and surface analysis show that ACLE can markedly reduce the corrosion current density of the Al electrode in 4 M NaOH, which is due to the adsorption of the active components in ACLE inhibitor on the Al electrode surface. The presence of ACLE in 4 M NaOH greatly reduces the self-corrosion of the Al anode, and thus improves the utilization rate of the Al electrode. Fourier transform infrared (FT-IR) spectroscopy and X-ray photoelectron spectroscopy (XPS) are employed to determine the chemical composition of the adsorption layers on the surface of the Al electrode. When the concentration of ACLE in 4 M NaOH is 5 g/L, the Al-air battery has a high practical capacity density of 3545 Wh kg−1, and the fuel efficiency also increases to a high value of 44 % from 14 % without ACLE. This work presents a novel approach to enhance the performance of Al-air batteries through the utilization of natural product extracts as corrosion inhibitors.

Pure Component and Binary Mixture Adsorption of Light Alkanes and Alkenes on Zeolite NaX at Low Temperatures: Influence of Chain Length.

In this study, the separation of short-chain alkane/alkene pairs by fixed-bed adsorption on zeolite NaX at low temperatures is investigated. Experiments are carried out with pure components and mixtures of ethane/ethene, propane/propene, and n-butane/1-butene in the temperature range between -75 and +40 °C and partial pressures up to 450 Pa. For a short chain length, much stronger adsorption of the alkene is observed. In contrast, with an increase in chain length, the isotherms of alkanes and alkenes of the same chain length become more similar. In addition, a greater influence of temperature on capacity is seen, the shorter the chain length is. In binary mixtures, a strong competition occurs at high total loadings with the alkene displacing the alkane. A characteristic curve is formed for the selectivity in the mixture, which shifts to higher temperatures with an increase in the chain length.

Color Modifications of a Maxillofacial Silicone Elastomer under the Effect of Cigarette Smoke.

Although it is known (from the observations of medical professionals) that cigarette smoke negatively affects maxillofacial prostheses, especially through staining/discoloration, systematic research in this regard is limited. Herein, the color modifications of M511 maxillofacial silicone, unpigmented and pigmented with red or skin tone pigments, covered with mattifiers, or with makeup and mattifiers, and directly exposed to cigarette smoke, were investigated by spectrophotometric measurements in the CIELab and RGB color systems. The changes in color parameters are comparatively discussed, showing that the base silicone material without pigmentation and coating undergoes the most significant modifications. Visible and clinically unacceptable changes occurred after direct exposure to only 20 cigarettes. By coating and application of makeup, the material is more resistant to color changes, which suggests that surface treatments provide increased protection to adsorption of the smoke components. The dynamic water vapor sorption (DVS) measurements indicate a decrease of the sorption capacity in pigmented versus unpigmented elastomers, in line with the changes in color parameters.

Adhesion and adsorption properties of water, ethanol, rhamnolipid and Triton X-165 mixture in quartz-mixture-air system

Wetting behaviour of the solutions including water, ethanol (ET), rhamnolipid (RL) and Triton X-165 (TX165) with regard to the quartz surface tension was investigated. The investigations were based on the measurements of the contact angle on the quartz surface for the solutions at the constant ET and RL concentrations and variable of TX165. The obtained results were considered with regard to the adhesion work of the solution to the quartz surface, adsorption of particular components of the solution at the quartz-air, quartz-solution and solution-air interfaces as well as to solution interactions across the quartz-solution interface. The considerations of the adhesion work and parameter of solution interactions across the quartz-solution interface as well as the adsorption of ET, RL and TX165 at different interfaces were based on the quartz surface tension and its components determined by different methods. These research results allow to establish the correlations between the adhesion work and the adsorption film pressure at the quartz-air interface and those between the parameter of interactions at the quartz-solution interface and its tension. The mechanism of the adsorption of particular components of the solution at the interfaces and their standard Gibbs free energy of adsorption were also discussed.

Investigation of nano-confinement effects on asphaltenic crude oil phase behavior in tight and shale reservoirs: Modeling using CPA-EOS

As a result of strong molecule–molecule and molecule–wall interactions, phase behavior in confined fluids differs significantly from that in bulk fluids. Asphaltene precipitation is a challenging issue for both conventional and unconventional (nano-scale) porous media. In this study, a new model based on cubic-plus-association equation of state (CPA-EOS) was developed for studying phase behavior of asphaltenic crude oil and asphaltene precipitation in nanoporous media. The developed model considers confinement phenomena including shift in the critical properties of components, high capillary pressure, and adsorption/desorption of fluid components on rock surface. For this purpose, necessary modifications were performed on both the EOS and phase equilibria calculations. The developed model was then used to analyze two-phase (vapor–liquid) and three-phase (vapor–liquid–asphaltene) behavior in confined systems. Results demonstrated that confinement phenomena shrink the two-phase envelope and shift the critical point of the mixture. It is also shown that instability of asphaltene in the solution is higher in nanoporous media and increases with reducing pore size. Therefore, the amount of precipitated asphaltene in nanoporous media is higher than that in conventional systems. As adsorption of components with higher molecular weights is more than that of low-molecular weight compounds, the crude oil sample is enriched with lighter components and hence, due to adsorption, bubble point pressure increases, upper branch of dew point curve shifts downward and its lower branch shifts upward, and asphaltene instability increases. Neglecting confinement phenomena results in overestimation or underestimation of saturation pressures as well as asphaltene upper and lower onset points and the proposed model can be of high importance in predicting the extent of asphaltene precipitation during natural depletion or solvent injection in tight oil reservoirs.

Insight into adsorption behaviors of shale oil in kerogen slit by molecular dynamics

Shale oil is predominantly stored in organic nanopores, with kerogen playing a pivotal role in its adsorption. This study utilizes molecular dynamics (MD) simulations to quantitatively investigate the adsorption behavior of multi-component shale oil within kerogen slits. Unlike previous studies that focused on single-component hydrocarbon fluids and simplified kerogen models to graphene, this research employs an authentic kerogen structure and a multi-component shale oil model, incorporating the effects of surface roughness. The research analyzes the interaction mechanisms and distribution patterns of light, medium, and heavy components within the pores. Additionally, it examines the effects of temperature, pore size, and wall surface physical and chemical properties on shale oil adsorption. Results indicate that strong adsorption between asphaltene and kerogen significantly reduces the width of the kerogen slits, inhibiting the adsorption of lighter components. The study introduces the concept of effective radius for kerogen slits and provides a quantitative analysis of the adsorption capacity of kerogen surfaces. Different kerogen surface roughness and chemical properties were compared to understand their influence on shale oil adsorption. Key findings show that with increasing temperature, the distribution of hydrocarbons becomes more uniform, with medium components showing the most significant response. Surface roughness of kerogen affects the adsorption capacity, although the component proportions remain consistent, while different chemical property surfaces influence selective adsorption and the overall adsorption amount of shale oil components. This research offers a deeper understanding of shale oil adsorption mechanisms and provides valuable insights for optimizing shale oil extraction and utilization.

Impact of polyethylene nanoplastics on human intestinal cells

Polyethylene (PE) is one of the most widely used plastics in the world. Its degradation leads to the production of small particles including microplastics and nanoplastics (NPs). Plastic particles’ presence poses a health risk. The aim of this work was to investigate the toxicity of two model surfactant-free PE NPs prepared by polymerization of ethylene from cationic and anionic water-soluble initiators on human cell lines Caco-2 and HT29-MTX. After physicochemical characterization, their acute and subacute toxicity profile, including cytotoxicity, oxidative stress, and genotoxicity, was evaluated on both cell lines. Results showed a size increase of PE NPs in culture medium. Zeta potential values close to −10 mV were no longer dependent on the initiator charge after adsorption of serum components in culture medium. However, the cellular toxicity of the cationic and anionic PE NPs was very different. A time-and-concentration dependent cytotoxic, oxidative, and genotoxic effects on Caco-2 cells were only observed for PE NPs prepared with cationic initiators. No toxicity was observed on HT29-MTX, likely due to the protective mucus layer. Genotoxicity correlated with oxidative stress of some PE NPs on Caco-2 cells was observed from a concentration of 0.1 mg.mL−1 after 48-h exposure.

In Ukrainian

The contact wetting is one of the effective methods of studying the adsorption capacity of sorbents. The purpose of the work was to compare the experimentally obtained data on the adsorption capacity of shungite, obtained by the sessile drop method, and the results of modeling the behavior of liquid droplets on heterogeneous surfaces using the Boltzmann lattice method, and to show the suitability of the simplified version of the LBM method that we applied within the framework of a two-dimensional model for modeling complex cases of contact interaction between liquids and sorbent, when it cannot be carried out by the method of contact wetting. The adsorption properties of shungite with regard to the extraction of various impurities from water-alcohol solutions and the capability of the sorbent to recover were investigated by the method of contact wetting and analyzed by involving the data obtained by the methods of nitrogen adsorption, thermogravimetry and IR spectroscopy. It is shown that the adsorption properties of shungite are due to the presence on its surface of hydroxyl functional groups attached to carbon atoms in phenol or enol form, which give the surface hydrophilic characteristics. These groups play a key role in the adsorption of components from the liquid (aqueous) phase due to the formation of a hydrogen bond during the sorption of components from the liquid phase, and are restored after heating in the temperature range of 80–180 °C with the formation of carbon-containing gases and water. It has been found that silanol groups present in shungite do not participate in sorption. Compared to the original shungite sample, the sample after five cycles of adsorption is characterized by a noticeable effect of mass loss (1.8 %) in the temperature range of 80–180 °С. At the same time, the loss of mass is not significant at temperatures below 100 °С. This suggests that the sorbed substances are in the pores and not on the surface of shungite, and they begin to be removed only after heating above 100 °C. The LBM method was used to study fast-moving processes at the meso-level. A comparative analysis of the experimental data obtained by the method of contact wetting with the results of simulation by the Boltzmann lattice method within the framework of the two-dimensional model was carried out. 2D modeling by the LBM method turned out to be an effective means of studying capillary condensation in mesopores, anticipatory wetting of the solid phase, liquid penetration into a porous medium with different topologies, and the formation of anisotropic droplets and anisotropic bridges. The role of mesopores in the sorption process was analyzed by modeling the behavior of liquid droplets on heterogeneous surfaces and using data on the course of adsorption and capillary processes on the surface of a solid phase with different levels of porosity, roughness, and functional composition.

Effect of Paleoenvironmental Conditions on the Distribution of Lower Carboniferous Shale in Yaziluo Rift Trough, South China: Insights from Major/Trace Elements and Shale Composition

Paleoenvironmental conditions significantly influence the distribution patterns and organic matter enrichment of shale. This study investigated the vertical variations of major elements, trace elements, and total organic carbon (TOC) in the Lower Carboniferous marine shale from the Yaziluo Rift Trough, South China, to understand the paleoenvironmental conditions, including redox conditions, terrigenous detrital input, paleoproductivity, and paleo-seawater depth. The Lower Carboniferous formation consists of three sedimentary facies: basin facies, lower slope facies, and upper slope facies. From the basin to the lower slope and then to the upper slope facies, TOC, quartz, and pyrite contents gradually decrease, whereas the carbonate mineral content shows an increasing trend. A continuous decline in paleo-seawater depth transformed a deep-water anoxic environment with high paleoproductivity and low detrital input in the basin facies into a semi-deep-water environment with dysoxic-oxic conditions and moderate detrital influx in the lower slope facies, evolving further into a suboxic environment with high detrital flux in the upper slope facies. The geochemistry results suggest that anoxic conditions and high paleoproductivity were the primary controls on organic matter enrichment in the siliceous shale of the basin facies. In contrast, redox conditions significantly influenced organic matter accumulation in the mixed shale of the lower slope facies, attributed to relatively low paleoproductivity in a more restricted marine setting. Additionally, the adsorption of carbon components by clay minerals facilitated the preservation of organic matter in the calcareous shale of the upper slope facies.