Adsorption Model Research Articles

Imidazole derivative for corrosion protection: A comprehensive theoretical and experimental study on mild steel in acidic environments

The inhibition efficiency derivative imidazole, 2-mercapto-5,5-diphenyl-3,5-dihydro-4 H-imidazol-4-one (AM0), against corrosion in a hydrochloric acid (HCl) environment was studied. The research focused on the compound's ability to adsorb onto mild steel surfaces. Various experimental techniques, including potentiodynamic polarization (PDP), electrochemical frequency modulation (EFM), and impedance spectroscopy (EIS), were employed to analyze the inhibitory effects. Results showed that the effectiveness of AM0 increased with concentration, reaching an inhibitory efficiency of 95.1 %. Polarization studies revealed that the inhibitor displayed mixed-type behavior. The adsorption process was modeled using the Langmuir adsorption model. Surface characterization techniques such as scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDS), and X-ray photoelectron spectroscopy (XPS) were utilized to examine the inhibited corrosion surfaces. Theoretical calculations based on density functional theory (DFT) and density functional tight binding (DFTB) suggested that inhibitors with electron-accepting capabilities exhibited strong interactions with the iron surface, shedding light on specific bond formations that contribute to the stability and interaction dynamics at the molecular interface. This study provides valuable information on the corrosion inhibition potential of the new imidazole compound, offering important pointers for the development of effective corrosion inhibitors in acidic environments.

Altering Oxygen Adsorption Model on B‐Doped Fe‒Cu Dual‐Atom Catalysts for Efficient Oxygen Reduction

AbstractDue to isolated active sites of single‐atom catalysts (SACs), the catalytic kinetics of SACs are often unsatisfactory in those catalytic reaction processes involving multiple intermediates and reaction pathways, such as the oxygen reduction reaction (ORR). To address this bottleneck and enhance the ORR performance of SACs, we developed a boron‐doped Fe‒Cu dual‐atom catalyst (Fe‒Cu‒B/NC). This catalyst is designed to modulate the oxygen adsorption model and adjust the adsorption strength of oxygen intermediates at the metal sites. In situ synchrotron infrared spectroscopy demonstrated that the Fe‒Cu‒B/NC catalyst facilitates the adsorption of oxygen intermediates on the Fe‒Cu dual sites through a bridge adsorption model, which is more favorable for O─O bond cleavage. Meanwhile, in situ electrochemical impedance spectroscopy revealed that the transformation of the adsorption model can accelerate the kinetics of intermediate species, further enhancing the catalytic efficiency. As a result, Fe‒Cu‒B/NC exhibits good ORR activity and strong durability, retaining 90% of its initial current density after 10 h of the ORR process in alkaline media.

Geochemical Modeling and Quality Assessment of the Surface Waters from the Mouhoun River System, Burkina Faso: Implications of Water–Rock Interactions and Anthropogenic Activities

Major ion and heavy metal geochemistry was used to investigate the factors that control the Mouhoun River water quality in western Burkina Faso. Major cation concentrations was in the following decreasing order: Ca2+> Na+> K+> Mg2+, reflecting silicate weathering. However, relatively high HCO3- and SO42- concentrations could be related to dissolution of calcite and sulfide minerals, respectively. The average heavy metal concentrations in the riverine system were in the following order: FeT>Ag>Mn>Zn>Pb>Cu>Ni>AsT>Cr>Hg>Co>Cd with FeT and Ag exceeding the World Health Organization permissible limits. Concentrations of all heavy metals, except Cr, were higher in the Mouhoun system compared to the average world river concentrations. Adsorption and speciation models showed that Zn, Ag, Cd, Co, Cr and Ni are likely to remain in their free ionic forms, and thus posing serious threats to aquatic life and human health. Ag-Hg-Ni-Cd association around Poura and Tenado on the principal component plot suggested that the widespread artisanal gold mining in these areas may have contributed to these metals’ loading. In contrast, NH4+, Pb, Cu, Cr, AsT and Zn were clustered around a densely populated and industrialized Kou watershed, pointing to agricultural and industrial sources of these pollutants. Furthermore, the Kou River had the highest metal index followed by Tenado, Samendeni, Poura and Boromo. Hence, the chemistry of the Mouhoun River and its tributary appears to be mainly controlled by population density and various anthropogenic activities taking place in their drainage basins. The findings could provide avenues for sound and sustainable water resource management in a water scarce semi-arid environment.

Uranium extraction from wastewater by heteroatom-doped carbon microspheres derived from polyphosphazene loading with zinc oxide

The effective management of uranium-contaminated wastewater is crucial for environmental protection and public health safety. In this context, a novel composite was synthesized involving the intergration of zinc oxide into heteroatom-doped polyphosphazene carbon microspheres (TAC/ZnO) by hydrothermal method. The incorporation of ZnO into TAC significantly enhanced the porosity, offering more adsorption sites and improving the uranium adsorption performance. The optimal adsorption experiment achieved a remarkable adsorption capacity of 513.9 mg.g−1 for U(VI) at a pH of 5.5 within just 80 min. Additionally, the adsorption process was found to be endothermic and spontaneous, following both the Langmuir isothermal adsorption model and the pseudo-second-order kinetic model. Moreover, the TAC/ZnO presented higher selectivity for U(VI) in the presence of other cations. Even after 8 cycles, TAC/ZnO maintained a good removal rate for U(VI), decreasing from 97.54 % to 81.95 %. Furthermore, the findings from X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations indicated that the adsorption mechanism of U(VI) on TAC/ZnO may involve the coordinated interaction between oxygen atoms in Zn-O and nitrogen atoms in pyridinie-N-oxide with uranyl ions. Overall, this study presents an easily prepared, cost-effective, and highly efficient adsorbent that offers potential for large-scale production and practical application in purifying radioactive wastewater.

Versatile and durable polyvinyl alcohol/alginate/gelatin/quaternary ammonium chitosan/Fe3O4 particles hybrid hydrogel beads: adsorption capabilities for cleaning pollutants

A novel hybrid hydrogel bead (HHBFe) composed of polyvinyl alcohol/sodium alginate/gelatin/quaternary ammonium chitosan (PVA/GA/SA/QCS) and Fe3O4 magnetic nanoparticles was developed through green cross-linking of Ca2+ and tannic acid (TA) combined freeze-thaw method. HHBFe exhibited a good spherical shape, porosity, magnetic properties, and excellent mechanical properties and durability. The adsorption capacity of HHB and HHBFe towards methyl orange (MO), tetracycline (Tc), and Cr (VI) was systematically studied and compared. Results revealed similar adsorption capacities for MO and Cr (VI) between HHB and HHBFe, while the presence of Fe3O4 significantly enhanced Tc adsorption, indicating the versatile adsorption functions of HHBFe. Adsorption kinetic followed the pseudo-second-order model, with external diffusion and intra-particle diffusion controlling process. The adsorption data were consistent with the Langmuir isothermal adsorption model, indicating predominantly monolayer adsorption of pollutants by beads. Notably, the beads exhibited easily regenerated, maintaining 60 % of initial adsorption capacity after 5 cycles, particularly for Tc and Cr (VI). The good adsorption performance of HHBFe can be attributed to the strong interaction between their multi-functional groups including phenolic hydroxyl groups, carboxyl groups, amino groups, etc., and pollutant molecules. The multifunctional HHBFe beads prepared in this study and the results obtained with three completely different types of pollutants provide reliability support for their use in different wastewater treatment fields and even in the field of drug carriers.

The Phosphonitrilic-derived graphynes as promising adsorbents of greenhouse gases

The new hybrid graphyne-like materials with highly developed specific surface area and excellent greenhouse gas adsorption properties have been described. Inorganic P3N3Cl6 was selected as a building block and 1,4-diacetylene benzene was chosen as a linker for these materials. The chemical structure of P3N3Cl6 allows for creation of three-dimensional materials with the BET surface area ranging from 600 to 1000 m2 g−1 and a pore volume as high as 0.3 cm3 g−1. The obtained materials showed microporous structure and distinctive greenhouse gas adsorption properties. For those materials, CO2 adsorption reached as high as 1.5 mmol g−1, while for N2O ranged from 1.5 to 1.7 mmol g−1, and for CH4 was 0.4 mmol g−1 when adsorption was carried out at 100 kPa and 300 K. Moreover, obtained by the modified Dubinin adsorption model, the maximum adsorption values were 2.5–11 mmol g−1 depending on the type of materials used. This finding suggests that new materials are promising high-pressure adsorbents of greenhouse gases.

Preparation and characterization of hierarchically porous hybrid gels for efficient dye adsorption.

Water treatment faces significant challenges due to the increasing complexity of pollutants and the need for more efficient, sustainable treatment methods. However, current adsorbent materials often struggle with issues such as low adsorption capacity, slow kinetics, and poor reusability, limiting their practical application. In this study, we developed a novel hierarchical porous hybrid gel (HPHG) for water treatment to address the limitations of conventional adsorbents. The HPHG features a multi-level porous structure (from 48 ± 28 nm to 4385 ± 823 nm) that significantly enhances its porosity and specific surface area. We systematically investigated the relationship between the material's structure and its adsorption performance. Kinetic studies revealed a tendency towards a pseudo-second-order adsorption model, attributed to the material's unique structural features that facilitate rapid mass exchange channels inside HPHG and provide abundant active sites for pollutant adsorption. Reusability tests demonstrated that the material retained 85.4% of its initial adsorption capacity after five adsorption-desorption cycles, highlighting its potential for practical applications. This study provides valuable insights into structure-performance relationships in advanced water treatment materials, offering a promising approach for designing next-generation adsorbents with superior efficiency and sustainability.

Optimizing the prediction of adsorption in metal–organic frameworks leveraging Q‐learning

AbstractThe application of machine learning (ML) techniques in materials science has revolutionized the pace and scope of materials research and design. In the case of metal–organic frameworks (MOFs), a promising class of materials due to their tunable properties and versatile applications in gas adsorption and separation, ML has helped survey the vast material space. This study explores the integration of reinforcement learning (RL), specifically Q‐learning, within an active learning (AL) context, combined with Gaussian processes (GPs) for predictive modeling of adsorption in MOFs. We demonstrate the effectiveness of the RL‐driven framework in guiding the selection of training data points and optimizing predictive model performance for methane and carbon dioxide adsorption, using two different reward metrics. Our results highlight the integration of RL as an AL method for adsorption predictions in MFs, and how it compares to a previously implemented AL scheme.

Effect of carbon dot on preparation of dual-functional Janus particles via photo-initiated seed swelling polymerization

With the development of industry, the detection and removal of heavy metal ions from water has received much attention. Janus particles are distinguished from many other materials by their unique structure and functionalization. We proposed a simple photo-initiated seed swelling polymerization method for preparing carbon dot-coated dual-functional Janus particles (Janus@CD), using glycyl methacrylate (GMA) as monomer and ethylene dimethacrylate (EDMA) as crosslinker. In order to modulate the particle morphology during the phase separation process, carbon dot (CD) was added to the reaction system. The results demonstrated that the presence of CD had a significant effect on the shape of Janus particles. Furthermore, Janus@CD could be directly applied in the adsorption and detection for MnO4−. The limit of detection (LOD) was 6.39 nmol L−1, and the maximum adsorption capacity was 23.9 mg g−1, in line with the Langmuir adsorption model. The adsorption equilibrium reached within 30 min. The results demonstrated that dual-functional Janus@CD would present great potential in the detection and enrichment for metal ions.

Valorization of polyurethane foam waste through the decoration with nano-polyaniline for dye decontamination from polluted water.

Two polyurethane polyaniline nanocomposites have been synthesized using two in situ polymerization routes of dried and wet bases to valorize the polyurethane waste. The physical and chemical properties of polyurethane-based nanocomposites were compared using SEM, XRD, FTIR, and Zeta potential. SEM images showed that the average particle size of the dried-based composite was 56 nm, while the wet-based composite had an average size of 75 nm. The separation efficiency for methylene blue (MB) and Congo red (CR) dyes was evaluated against free polyurethane foam waste. It was evident that pure polyurethane (PPU) achieved only 4.79% and 16.71% removal for MB and CR, respectively. These dye decontamination efficiencies were enhanced after nano polyaniline decoration of polyurethane foam either through dried base polymerization (DPUP) or wet base polymerization (WPUP). WPUP composite records 11.23% and 85.99% for MB and CR removal, respectively, improved to 26.69% and 90.07% removal using DPUP composite for the respective dyes. The adsorption kinetics, isotherms, and thermodynamics were investigated. The experimental results revealed the pseudo-second-order kinetic model as the most accurately described kinetics model for both CR and MB adsorption. The Langmuir model provided the best fit for the data, with maximum adsorption capacities of 110.98 mg/g for CR and 26.86 mg/g for MB, with corresponding R-squared values of 0.9974 and 0.9608, respectively. Regeneration and reusability studies of PPU, WPUP, and DPUP showed effective reusability, with DPUP displaying the highest adsorption capacity. These results aid in creating eco-friendly and cost-efficient adsorbents for dye removal in environmental sanitation.

Kinetics, Thermodynamics, and Mechanistic Studies of Arsenic Removal Utilizing Natural Soil as Adsorbent.

The contamination of water sources with the heavy metal contaminant arsenic (As) causes substantial risks to humans, animals, and other living organisms. Therefore, the introduction of methods for the removal of As is important. The present study aimed to investigate the adsorption model and mechanism of As removal utilizing natural soil adsorbents. The batch adsorption technique was used to analyze the impacts of various parameters such as contact time, initial As concentration, pH, and temperature. Adsorption mechanisms were studied through adsorption kinetic, isotherm, and thermodynamic models. The batch adsorption study findings indicate that the optimal conditions for maximum As removal were achieved by application of 2.2 g of adsorbents in 50 μg/L of As solution for 60 min of contact time at a pH of 5.5 ± 0.5 and a temperature of 40 °C. The highest removal efficiency was achieved when red soil was employed as the adsorbent. The kinetic, isotherm, and thermodynamic models revealed that As adsorption was a chemisorptive, nonspontaneous, and endothermic process.

Design of a phosphate-based glass system as adsorbent for crystal violet dye removal

This study introduces the utilization of a novel approach using glass-based systems as standalone adsorbents for extracting crystal violet (CV) dye from aqueous solutions. A phosphate-based glass 60NaPO3-10TiO2-30V2O5 was synthesized using the conventional melt quenching technique. Characterization was conducted using a variety of analytical techniques including Fourier transform infrared spectroscopy (FTIR), X-ray energy dispersive spectroscopy (EDS), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), Raman spectra, Thermal Gravimetric Analysis (TGA) and X-ray analysis (XRD). The glass exhibited effective adsorption capacity for CV dye, marking the first-time use of phosphate-based glass as an adsorbent. The findings suggested that the adsorption process was impacted by different physicochemical parameters. The Freundlich isotherm and pseudo-first-order models demonstrated a strong fit in isothermal and kinetic adsorption modeling, respectively. The utmost adsorption capacity observed was 262.74 mg g−1. Thermodynamic analysis suggested that the process of adsorption of CV dye was spontaneous and exothermic. These findings indicate that the synthesized phosphate-based glass has a high potential for wastewater treatment containing CV dye.

Eco-friendly modified chitosan as corrosion inhibitor for carbon steel in acidic medium: Experimental and in-depth theoretical approaches

The industrial and medical sectors have a great interest in chitosan due to its unique properties, such as abundance, renewability, non-toxicity, antibacterial activity, biodegradability, and polyfunctionality. In this work, two modified chitosan Schiff bases (ChSB-1 and ChSB-2) were made using condensation methods, and their potential as corrosion inhibitor for carbon steel in 1 M HCl was investigated using chemical and electrochemical techniques. The ChSB-1 and ChSB-2 inhibitors exhibited remarkable inhibitory performance, as evidenced by the mass loss data, which showed 89.3 % and 91.5 % efficacy at 1 mM concentration, respectively. Because of the electron-donor substituent of methoxy (–OCH3), ChSB-2's active sites have more delocalized electrons than ChSB-1's. The PDP results showed that both ChSB-1 and ChSB-2 inhibitors have anti-corrosion characteristics because heteroatoms caused a protective layer to develop that functioned as mixed-typed inhibitors. The calculated adsorption-free energy ∆Gadso for ChSB-1 and ChSB-2, respectively, was found −36.1 and − 37.1 kJ mol−1. The ChSB-1 and ChSB-2 inhibitors adsorb on carbon steel in acidic conditions through physisorption and chemisorption interactions, and their adsorption is in line with the Langmuir adsorption model. Inhibited and uninhibited metallic surfaces were subjected to surface morphological assessments using contact angle (CA), the scanning electron microscopy and the energy dispersive X-ray (SEM/EDX) analysis. The DMol3 part of Materials Studio 7.0 software was used to perform the quantum chemical calculations based on DFT to visualize the structural features. Studies from quantum chemistry suggest the possibility of surface interaction between the unoccupied orbitals of the metal surface and the inhibitors ChSB-1, ChSB-2, ChSB-1H+, and ChSB-2H+. The results clearly show that the two inhibitors work well as environmentally friendly carbon steel corrosion inhibitors in acidic medium. This could be advantageous for industrial procedures such as pickling, cleaning, acidizing oil drilling in oil wells, and using citrus to de-sediment boilers.

Novel Efficient and Eco‐Friendly Biosorbent Derived from Ditax (Detarium senegalense) Fruit Hulls for Removal of Cationic Dyes: Adsorption Modeling and Statistical Optimization

AbstractRemediation of wastewater laden with dyes using optimized and less expensive techniques remains a challenge for environmental protection. In the current research work, alkaline activation approach was employed to derive a biosorbent from ditax fruit hulls (DS‐FHB), and its sorption performance was tested on Methylene blue (MB) dye biosorption with optimizing adsorption parameters. Structural and chemical properties of DS‐FHB including crystallinity, morphology, and surface functionality were analysed using XRD, SEM, FTIR technics, and pHPZC determination. Optimization of adsorption parameters using a centered composite design (CCD) from response surface methodology led to achieving a peak dye removal rate of 98.97 %. The optimal conditions were determined as DS‐FHB mass of 0.23 g, pH 7.12, contact time 39.00 min, and initial MB concentration of 69.35 mg/L. The findings demonstrated a strong alignment with both the Langmuir isotherm and pseudo‐second order kinetic model, suggesting their appropriateness in describing the adsorption process of MB onto DS‐FHB. According to the Langmuir isotherm model, the sorption of MB dye onto DS‐FHB occurred by monolayer formation with a maximum dye sorption capacity of 96.453 mg/g. Based on the structural and physico‐chemical properties of DS‐FHB biosorbent, and its adsoption applicability evaluated in the experimental conditions, detax derived‐biosorbent can be proposed as a successful and effective low‐cost biosorbent for removing cationic dyestuffs from aqueous solutions.

Purification and Kinetics of Chlorogenic Acid from Eucommia ulmoides Oliver Leaves by Macroporous Resins Combined with First-Principles Calculation

Background: A simple and effective method to separate chlorogenic acid from Eucommia ulmoides leaves with macroporous resin was studied in this paper. Methods: In order to optimize the separation process of chlorogenic acid from Eucommia ulmoides leaves, dynamic adsorption and desorption experiments were carried out on a glass column filled with XDA-8 resin. Based on the First-principles calculation, the possible adsorption models were simulated. Results: Among the six macroporous resins, XDA-8 showed good adsorption/desorption capacity and a high adsorption/desorption ratio for chlorogenic acid. After being treated with XDA-8 resin once, the content of chlorogenic acid from the extraction increased by 525%, and the recovery of chlorogenic acid reached 85.36%. Conclusion: At 25°C, the adsorption behavior of chlorogenic acid on XDA-8 resin was consistent with the Langmuir isotherm model and pseudo-second-order kinetic model. Furthermore, by calculating the charge changes of the O atom at each position in the chlorogenic acid molecule and the H atom at the adsorption site in polystyrene molecule with resin skeleton, and combining with the electron cloud density distribution diagram of chlorogenic acid and resin skeleton, the adsorption of chlorogenic acid by XDA-8 resin is mainly due to the charge transfer, which causes the electron cloud to overlap.

A flow cytometry method for quantitative measurement and molecular investigation of the adhesion of bacteria to yeast cells

The study of microorganism interactions is important for understanding the organization and functioning of microbial consortia. Additionally, the interaction between yeast and bacteria is of interest in the field of health and nutrition area for the development of probiotics. To investigate these microbial interactions at the cellular and molecular levels, a simple, reliable, and quantitative method is proposed. We demonstrated that flow cytometry enables the measurement of interactions at a single-cell level by detecting and counting yeast cells with bound fluorescent bacteria. Imaging flow cytometry revealed that the number of bacteria attached to yeast followed a Gaussian distribution whose maximum reached 14 bacterial cells using a clinical Escherichia coli strain E22 and the laboratory yeast strain BY4741. We found that the dynamics of adhesion resemble a Langmuir adsorption model, albeit it is a rapid and almost irreversible process. This adhesion is dependent on the mannose-specific type 1 fimbriae, as E. coli mutants lacking these appendages no longer adhere to yeast. However, this type 1 fimbriae-dependent adhesion could involve additional yeast cell wall factors, since the interaction between bacteria and yeast mutants with altered mannan content remained comparable to that of wild-type yeast. In summary, flow cytometry is an appropriate method for studying bacteria-yeast adhesion, as well as for the high-throughput screening of candidate molecules likely to promote or counteract this interaction.

Efficient and simultaneous immobilization of fluoride and lead in water and tea garden soil by bayberry tannin foam loaded zirconium

Nowadays, human activities intensified the combined pollution of fluoride and lead in acidic tea garden soil. The key to eliminating this combined pollution is to immobilize pollutants simultaneously, thus preventing their migration from tea garden soil to tea trees. In this paper, the natural product bayberry tannin was employed as raw material to fabricate functional materials (TF-Zr) for simultaneous adsorption of fluorine (F) and lead (Pb) in water and soil by the reactivity of tannin with Pb2+ and the affinity of Zr with F. SEM-Mapping, EDS, FT-IR, XPS were utilized to probe the immobilization mechanisms. The results showed that TF-Zr could simultaneously and efficiently adsorb F– and Pb2+ from water with the adsorption capacity of 5.02 mg/g (Pb) and 4.55 mg/g (F). The adsorption processes were both in accordance with the proposed secondary kinetic adsorption model. Besides, the presence of F– promoted the adsorption of Pb2+ by TF-Zr. The materials were applied into tea garden soil to explore its effect on the variation of F and Pb forms in the soil. It was found that the proportion of water-soluble fluorine, exchangeable fluorine and exchangeable lead in the tea garden soil decreased significantly, while the proportion of residual fluorine and lead increased evidently, illustrating TF-Zr possessed eximious fixation effect on the highly reactive fluorine and lead in the soil and facilitated their conversion to the more stable residue state. Therefore, TF-Zr can be used for the efficient and simultaneous immobilization of fluorine and lead in water and tea garden soil.

Mechanistic insights into selenite and selenate immobilization using brucite-rich magnesium precipitate derived from seawater electrochlorination facility

This study explored the application of magnesium precipitate (MP) obtained from seawater electrochlorination storage tanks as an innovative and sustainable adsorbent for Se(IV) and Se(VI) in water. Initially, the collected pristine MP mainly consisted of the low crystalline Mg(OH)2 (brucite) phase. Subsequently, the MP underwent calcination (CMP), and analyses via scanning electron microscopy (SEM) and X-ray diffraction (XRD) confirmed an improved crystallinity, displaying a typical hexagonal plate structure in the aqueous phase. Notably, the CMP exhibited a significant adsorption capacity (qm: 85.0 mg/g) for Se(IV), while the adsorption capacity for Se(VI) was lower, determined as 3.0 mg/g using the Langmuir adsorption model. Se(IV) adsorption remained relatively consistent across a wide pH range and ionic strength in the presence of competing anions. In contrast, Se(VI) adsorption varied under the same conditions. This differing adsorption behavior of Se(IV) and Se(VI) on CMP could be ascribed to different mechanisms: inner-sphere predominant surface complexation for Se(IV) and outer-sphere complexation for Se(VI). These mechanisms were confirmed via X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy (FTIR), XRD, and SEM analyses, and surface complexation modeling (PHREEQC–PEST) of the batch experimental results. In conclusion, these findings underscored the potential utility of MP as an effective adsorbent for selenium, positioning it as an environmentally sustainable and significant novel material. Furthermore, the study offered mechanistic insights into the interaction between CMP, Se (IV), and Se(VI) in the aqueous phase.

Hydrogen adsorption kinetics in organic-Rich shale reservoir rocks for seasonal geological storage

The geo-storage of hydrogen (H2) is essential for advancing a robust and industrial-scale H2-based economy. The efficient H2 storage in a geological formation depends on the presence of a secure and impermeable caprock, such as a shale formation. However, the existing literature lacks information on the kinetics of H2 adsorption in actual shale formations with diverse organic contents and mineral compositions. Therefore, the kinetics of H2 adsorption in organic-rich shale samples from a Jordanian oil (JO) source rock formation are experimentally investigated herein at various temperatures (193, 273, 303, and 333 K) and two equilibrium pressures (15 and 45 bar) by using a volumetric method. The impact of mineral compositions and total organic content (TOC) on H2 adsorption is studied using two samples with distinct mineralogy and TOC values. Thermodynamic calculations are performed, and common adsorption models are used to analyze the experimental data. The results indicate that the H2 adsorption rate increases with pressure and decreases with temperature, being characterized by an initial rapid adsorption phase followed by a slower adsorption period as the uptake of H2 approaches equilibrium. More interestingly, the rate of H2 adsorption is higher in the sample with a high TOC and a richer composition of carbonate minerals. Both the applied adsorption isotherm models and adsorption kinetics models fit the experimental data remarkably well, thereby indicating their suitability for analyzing the kinetics of H2 adsorption in the JO shale. The unipore model matches the H2 kinetics data well, with R2 > 0.91. The H2 diffusion coefficient increases with pressure and temperature, where the H2 diffusion in shale accelerates with thermal motion intensity. This study provides fundamental insights into the adsorption kinetics of H2 and is expected to assist in implementing an industrial H2-based economy.

Enhanced cesium removal from wastewater using a potassium hexacyanoferrate/gelatin aerogel composite

In the wake of the 2011 Fukushima nuclear disaster, the presence of radioactive cesium (137Cs) in nuclear wastewater has posed a critical and enduring health risk. Addressing this challenge, we have synthesized a gelatin aerogel, denoted as KCuFC/GA, immobilized with potassium cupric ferrocyanide (KCuFC) through an in situ approach, aiming for the efficient extraction of 137Cs from aqueous environments. This novel aerogel's rich porous structure enhances the accessibility of adsorption sites, thereby significantly promoting the capture of Cs+. The adsorption of cesium onto KCuFC/GA was investigated under various experimental conditions, including initial solution pH, contact time, initial cesium concentration, and the presence of coexisting ions (K+, Na+, Ca2+, Mg2+, Sr2+). The results indicated that the adsorption performance was largely independent of pH, achieving a high cesium removal rate of 93.4 % within the first 5 minutes. The cesium adsorption data were well-described by the Langmuir adsorption model, indicating a maximum adsorption capacity of 222.22 mg·L−1. Furthermore, in the presence of various competing ions, KCuFC/GA has demonstrated unparalleled selectivity for Cs+, with a partition coefficient (Kd) of 2.49 × 105 mL·g−1, and has sustained its adsorptive properties across five cycles of use. Through systematic investigation, including X-ray photoelectron spectroscopy (XPS) analysis, we have elucidated the adsorption mechanism, highlighting the pivotal role of ion exchange between lattice K+ and Cs+. The straightforward fabrication process and the aerogel's robust cesium removal capabilities from complex solutions indicate that KCuFC/GA is a promising candidate for real-world applications in the treatment of radioactive wastewater.