Kinetic Model Research Articles

Sustainable Banana-Waste-Derived Biosorbent for Congo Red Removal from Aqueous Solutions: Kinetics, Equilibrium, and Breakthrough Studies

This study investigates the adsorption of Congo red (CR) dye from wastewater using banana peel biochar (BPBC) in both batch and fixed-bed column modes. BPBC was characterized using FTIR, SEM, XRD, TGA, and BET analysis, revealing a predominantly mesoporous structure with a surface area of 9.65 m2/g. Batch adsorption experiments evaluated the effectiveness of BPBC in removing CR, investigating the influence of the BPBC dosage, initial CR concentration, and solution pH. Results showed optimal CR removal at pH levels below 4, suggesting a favorable electrostatic interaction between the adsorbent and the dye. Furthermore, a pseudo-first-order kinetic model best described the adsorption process. The Freundlich isotherm provided a better fit compared to the Langmuir and Dubinin–Radushkevich (D-R) models, implying a heterogeneous adsorption surface. The calculated maximum adsorption capacity (Qm) from the Langmuir model was 35.46 mg/g. To assess continuous operation, breakthrough curves were obtained in fixed-bed column experiments with varying bed heights (1–3.6 cm). The results demonstrated efficient CR removal by BPBC, highlighting its potential for wastewater treatment. Finally, this study explored the feasibility of BPBC regeneration and reuse through four adsorption–desorption cycles.

Sequestration of an Azo Dye by a Potential Biosorbent: Characterization of Biosorbent, Adsorption Isotherm and Adsorption Kinetic Studies.

This study explores the detailed characterization of a biosorbent (Hen Feather) and its efficient use in eradicating the azo dye Metanil Yellow (MY) from its aqueous solutions. Effects of a range of experimental parameters, including pH, initial dye concentration, biosorbent dosage and contact time on the adsorption, were studied. A detailed physical and chemical characterization of the biosorbent was made using SEM, XRD, XPS and FTIR. During the optimization of adsorption parameters, the highest dye uptake of almost 99% was recorded at pH 2, dye concentration 2 × 10-5 M, 0.05 g of biosorbent and a contact period of 75 min. Various adsorption isotherm models were studied to gather different adsorption and thermodynamic parameters. The linearity of the Langmuir, Freundlich and D-R adsorption isotherms indicate homogeneous, multilayer chemisorption with high adsorption affinity between the dye and biosorbent. Values of the changes in the Gibbs free energy (ΔG°) and the enthalpy (ΔH°) of the adsorption process have been calculated, these values indicate that it is a spontaneous and endothermic process. Kinetics of the adsorption were also measured, and it was established that the adsorption of MY over Hen Feather follows a pseudo-second-order kinetic model at temperatures 30, 40 and 50 °C. The findings of this investigation clearly indicate that the studied biosorbent exhibits a high affinity towards the dye (MY), and it can be effectively, economically and efficiently used to sequestrate and eradicate MY from its aqueous solutions.

Application of Cotton Stalk as an Adsorbent for Copper(II) Ions in Sustainable Wastewater Treatment

The capacity of untreated cotton stalk to remove and adsorb Cu2+ ions in synthetic and natural aqueous solutions was evaluated. The influence of three sensitive parameters of the adsorption process—solution pH, adsorbent dosage, and contact time—on the percentage of Cu2+ removal in agricultural wastewater, livestock wastewater, and synthetic samples was studied. Physicochemical and morphological properties were studied using thermogravimetry, Fourier infrared spectrophotometry, and scanning electron microscopy. The elemental composition, proximal composition, zero charge point, and acid–base sites were determined. In addition, kinetic studies were performed, and the adsorption equilibrium was analyzed. The optimum conditions for Cu2+ adsorption were the following: solution pH = 5.5, adsorbent dosage of 0.6 g, and contact time of 60 min. Under these conditions, the percentage of Cu2+ removal in synthetic samples was 66.5% when the initial copper concentration was 50 mg/L. The removal percentage in agricultural and livestock wastewater samples was 87.60% and 85.05%, respectively, when the initial copper concentration was 25 mg/L. The adsorption data are consistent with the Freundlich isotherm model, which achieved a quadratic fit of 0.991 compared to 0.5542 for the Langmuir model. The experimental results indicate that the adsorption adequately fits the pseudo-second-order kinetic model. The results suggest that cotton stalks are a promising adsorbent for the ecological and economical removal of Cu2+ in wastewater. This research, therefore, provides relevant information that contributes to the sustainable management of agricultural waste and instills hope for a reduction in water pollution from heavy metals derived from agricultural activities.

Ultrasound-Assisted Extraction of Phenolic Compounds from Celtuce (Lactuca sativa var. augustana) Leaves Using Natural Deep Eutectic Solvents (NADES): Process Optimization and Extraction Mechanism Research.

Natural deep eutectic solvents (NADESs), as emerging green solvents, can efficiently extract natural products from natural resources. However, studies on the extraction of phenolic compounds from celtuce (Lactuca sativa var. augustana) leaves (CLs) by NADESs are still lacking. This study screened the NADES L-proline-lactic acid (Pr-LA), combined it with ultrasound-assisted extraction (UAE) to extract phenolic compounds from CLs, and conducted a comparative study on the extraction effect with traditional extraction solvents. Both SEM and FT-IR confirmed that Pr-LA can enhance the degree of fragmentation of cell structures and improve the extraction rate of phenolic compounds. Molecular dynamics simulation results show that Pr-LA can improve the solubility of phenolic compounds and has stronger hydrogen bonds and van der Waals interactions with phenolic compounds. Single-factor and Box-Behnken experiments optimized the process parameters for the extraction of phenolic compounds from CLs. The second-order kinetic model describes the extraction process of phenolic compounds from CLs under optimal process parameters and provides theoretical guidance for actual industrial production. This study not only provides an efficient and green method for extracting phenolic compounds from CLs but also clarifies the mechanism of improved extraction efficiency, which provides a basis for research on the NADES extraction mechanism.

Research and Experiment on Airflow Field Control Technology of Harvester Cleaning System Based on Load Distribution

The wind sieve cleaner is widely used in the screening system of combine harvesters due to its compact structure and efficient screening capability. In order to study more deeply the feeding load distribution of the combine harvester and the influence of the airflow field on the clearing effect, a mechanical analysis method was adopted to analyze the dynamics of the material in the inclined airflow, and a kinetic model was established. At the same time, the motion state of the material in the airflow field was explored, and combined with the actual orthogonal test, the response surface model of factors and indicators was established. Experimental validation was carried out. It provides an important research foundation and theoretical basis for optimizing the structural parameters of the screening system and improving its operational performance.

Study on the adsorption of Ce(III) on phosphonic acid functionalized ZIF-67@SiO2 magnetic porous carbon materials

A ZIF-67 composite SiO2 material (ZIF-67@SiO2) was synthesized using ethyl orthosilicate (TEOS) as a silicon source, followed by one-step carbonization to produce magnetic porous nitrogen-doped carbon material (MNPC@SiO2) using ZIF-67@SiO2 as a carbon precursor. Subsequently, the composite P-MNPC@SiO2 was obtained through functionalization with diethylphosphonoethyltriethoxysilane (DPTS), and its characteristics were analyzed. The adsorption properties of Ce(III) on MNPC@SiO2 and P-MNPC@SiO2 composites were investigated under various conditions through adsorption experiments. Kinetic, isothermal, and thermodynamic models were employed to analyze the adsorption mechanism of P-MNPC@SiO2 on Ce3+ and assess adsorbent stability and regeneration performance. The result shows that P-MNPC@SiO2 exhibited excellent adsorption capacity for Ce3+ and possessed magnetic properties conducive to recycling. Under optimized conditions, P-MNPC@SiO2 reached Ce(III) adsorption saturation within 20 min, with a maximum adsorption capacity of 342.52 mg/g, which was 1.9 times higher than that of the MNPC@SiO2 material. Data fitting shows that surface adsorption controls the rate-limiting step, and Ce(III) forms a monolayer adsorption on the surface of the adsorbent material. Furthermore, P-MNPC@SiO2 exhibits strong stability and regeneration properties.

Evaluation of Kinetic and Isotherm Models for Adsorption of Boron Under Different Soil Orders in Oil Palm Plantations of India

ABSTRACT Adsorption isotherm and kinetic models are essential in predicting the adsorption mechanisms, which helps in boron (B) recommendation at appropriate doses. This study is formulated with the objective of assessing different kinetic and adsorption models for the adsorption of B in different soil orders (Entisol, Alfisol, Inceptisol and Vertisol) in Oil Palm plantations in India. The B adsorption in soils followed the order: Vertisol > Alfisol > Inceptisol > Entisol. The results revealed that, the Langmuir adsorption model fitted well for alfisol (part1 R2 = 0.9912 & part2 R2 = 0.9678), entisol (R2 = 0.9862) and inceptisol (R2 = 0.9924), while the Freundlich model fitted well for vertisol (R2 = 0.9943). The soils under entisol and inceptisol showed linear isotherms whereas, the vertisol and alfisol had curvilinear isotherms and the split Langmuir isotherm was worked out. High bonding energy at the lower part of split isotherm represented stronger retention of B at lower B concentrations. The B equilibrium was attained in 24 h in alfisol and inceptisol, and 12 h in entisol, whereas in vertisol, the equilibrium was not completed until 72 h. From the correlation coefficients obtained from all models, the pseudo-second-order kinetic model explained the B sorption in a better way followed by elovich and power function kinetic models in different soil types. Desorption of B is higher in entisol in most of the added B concentrations. The study suggests a higher rate of B fertilizer application than the recommended in soils having high B adsorption capacity for optimum crop growth and yield.

Progress in Theoretical Modelling of Macroscopic and Microscopic Dynamics of Bolted Joints in Complex Equipment

Bolt connection structure is a common form of connecting large and complex equipment. Its object contact surfaces under normal and tangential loads will appear in the form of slip and adhesion, which affects the service life of mechanical equipment. Bolted connection structures cause changes in stiffness and damping, which have great impacts on the dynamic characteristics. Experimental studies and numerical simulations have difficulty predicting the overall performance of bolts in a timely manner, hence cannot ensure the reliability and safety of complex equipment. In order to improve the overall performance of complex equipment, it is necessary to study the contact theory model of bolt connection structures. Based on the relationship between friction force and velocity in the classical friction model, the mathematical expressions of restoring force and tangential displacement in the kinetic theory model are deduced to predict the stiffness degradation of the bolted structure and to characterise the kinetic properties and laws of the bolted structure. From the perspective of theoretical calculation, it makes up for the situation in which it is difficult to measure the performance of bolts due to the existence of spanning scale and provides theoretical support for the reliability of connecting complex equipment. This paper summarises and analyses the contact theory model of bolt connection structures, ranging from macroscopic to microscopic; describes the static friction model, kinetic friction model, statistical summation contact model, fractal contact model; and analyses the influencing factors of the microscopic contact mechanism. The advantages and disadvantages of the kinetic theoretical models are described, the manifestation of friction and the relationship between tangential force–displacement are discussed, and the key research directions of the kinetic theoretical models of bolted structures in the future are elucidated.

Adsorption simulation of 2,4-D pesticide on novel zinc-based 2-amino-4-(1H-1,2,4-triazole-4-yl)benzoic acid coordination complexes using machine learning approach.

The capacity of zinc-based 2-amino-4-(1H-1,2,4-triazole-4-yl)benzoic acid coordination complex (Zn(NH2-TBA)2) and modified Zn(NH-TBA)2COMe complex for removal of 2,4-dichlorophenoxyacetic acid (2,4-D) from aqueous solutions was investigated through adsorption modeling and artificial intelligence tools. Analyzing the adsorption characteristics of pesticides helps in studying the groundwater pollution by pesticides in agriculture area.In this study, Zn(NH2-TBA)2 was synthesized using Schiff base and its surface was modified using acetic anhydride group and their physical characteristics were identified using proton NMR, FTIR, and XRD. NMR results showed maximum modification yield obtained was 65% after 5days. The porous structure and surface area monitored using nitrogen isotherm and BET surface area analysis presented relatively less surface area and porosity after modification. Adsorption modelling indicated that Toth model with a maximum adsorption capacity of 150.8mg/g and 100.7mg/g represents the homogenous adsorption systems which satisfy both low- and high-end boundary of adsorbate concentration in all settings according to the optimum point, while the kinetics and rate of 2,4-D adsorption follow the pseudo-first-order kinetic model in all situations. Artificial neural network (ANN), support vector regression, and particle swarm optimized least squares-support vector regression (PSO-LSSVR) were used for the optimization and modelling of adsorbent mass, adsorbate concentration, contact time, and temperature to develop predictive equations for the simulation of the adsorption efficiency of 2,4-D pesticide. The obtained results exhibited the better performance of ANN and PSO-LSSVR for prediction of adsorption results. The mean square error values of ANN (0.001, 0.012) and PSO-LSSVR (0.121, 0.105) were obtained for Zn(NH2-TBA)2 and Zn(NH-TBA)2COMe, respectively, while their respective coefficient of determination (R2) obtained were 0.999 and 0.988 for ANN and 0.980 and 0.825 for PSO-LSSVR. The study specified that machine learning predictive behavior performed better for Zn(NH2-TBA)2 compared to Zn(NH-TBA)2COMe that is also supported by theoretical kinetics and isotherm models. The research concludes that artificial intelligence models are the most efficient tools for studying the predictive behavior of adsorption data.

From hazard to risk prioritization: a case study to predict drug-induced cholestasis using physiologically based kinetic modeling.

Cholestasis is characterized by hepatic accumulation of bile acids. Clinical manifestation of cholestasis only occurs in a small proportion of exposed individuals. The present study aims to develop a new approach methodology (NAM) to predict drug-induced cholestasis as a result of drug-induced hepatic bile acid efflux inhibition and the resulting bile acid accumulation. To this end, hepatic concentrations of a panel of drugs were predicted by a generic physiologically based kinetic (PBK) drug model. Their effects on hepatic bile acid efflux were incorporated in a PBK model for bile acids. The predicted bile acid accumulation was used as a measure for a drug's cholestatic potency. The selected drugs were known to inhibit hepatic bile acid efflux in an assay with primary suspension-cultured hepatocytes and classified as common, rare, or no for cholestasis incidence. Common cholestasis drugs included were atorvastatin, chlorpromazine, cyclosporine, glimepiride, ketoconazole, and ritonavir. The cholestasis incidence of the drugs appeared not to be adequately predicted by their Ki for inhibition of hepatic bile acid efflux, but rather by the AUC of the PBK model predicted internal hepatic drug concentration at therapeutic dose level above this Ki. People with slower drug clearance, a larger bile acid pool, reduced bile salt export pump (BSEP) abundance, or given higher than therapeutic dose levels were predicted to be at higher risk to develop drug-induced cholestasis. The results provide a proof-of-principle of using a PBK-based NAM for cholestasis risk prioritization as a result of transporter inhibition and identification of individual risk factors.

Performance evaluation of Bi/Zn‐impregnated commercial TiO2 nanoparticles for photocatalytic nitrobenzene decomposition

AbstractBACKGROUNDCommercial TiO2 nanoparticles were subjected to modification through Bi and Zn metal doping. The resulting catalysts were comprehensively characterized, and their performance was then reviewed for removal of model pollutant nitrobenzene in water.RESULTSAmidst the synthesized catalysts, the co‐doping of Bi/Zn (0.25:0.75 wt%) demonstrated the best photocatalytic degradation activity, achieving 95% degradation within 90 min of reaction time, with 2.99 × 10−2 min−1 rate constant value. The involvement of different radicals during the degradation process was elucidated by employing appropriate radical scavengers. Furthermore, the degradation results were investigated applying the first‐order kinetic model, leading to the determination of reaction rate constants and initial rates of the degradation process.CONCLUSIONAn improved photocatalytic activity was observed with metal doping due to the synergistic effect of doped metals with commercial TiO2 and profound charge transfer among them. It was observed that performance was increased with temperature rise in the practical range of application, that is, 5–20 °C. This behavior was due to high rate of movement of charge carriers. Further, involvement and functioning of various radical species such as h+, OH− and O2− in nitrobenzene degradation were successfully established using appropriate radical scavengers. © 2024 Society of Chemical Industry (SCI).

Kinetics of pyrolysis and Computational Fluid Dynamics modeling of low metamorphic coal

AbstractThis study explores the low‐temperature pyrolysis kinetic of low metamorphic grade coal from Northern Shaanxi, utilizing Fourier transform infrared (FT‐IR) spectroscopy to analyze the characteristics of various functional groups over a 293–1023 K temperature range. A kinetic model, correlating with the pyrolysis behaviors of these groups, was developed through thermal analysis kinetics. Computational fluid dynamics (CFD) technology simulated the furnace's flow dynamics, allowing an examination of the physical field alterations and functional group evolution during pyrolysis. Results showed that the pyrolysis kinetic functions for aromatic C–H, C=C, C–O, and •OH, along with temperature, pressure, and velocity fields, were successfully integrated into the simulation. This integration provided detailed insights into the temperature profile, pressure distribution, flow velocities, and functional group distribution in the furnace. Aliphatics, exhibiting the largest mass fraction and wide pyrolysis temperature range, and •OH radicals with the highest activation energy were concentrated in the furnace's pyrolysis zone center. C=C's distribution was influenced by aromatic C–H and aliphatics, showing a complementary pattern. The oxygen‐containing groups C–O and C=O had similar pyrolysis mechanisms and uniform distribution. The functional groups' mass fractions were ranked from highest to lowest as follows: aliphatics > •OH > aromatic C–H > C–O > C=C > C=O.

High-pressure cure kinetics and unexpected cure separation of peroxide-cured silicone rubber under compressed CO2

In this study, high-pressure differential scanning calorimetry (HP-DSC) was used to examine the curing process of a peroxide-cured silicone rubber (SR) system under compressed CO2 to investigate the influence of pressure and CO2 on the curing process. We found that the curing reaction occurred in two parts, described as cure separation, because of the dual effect of CO2 pressure and solvation at 6 MPa CO2. Consequently, peak fitting was used to calculate the kinetic parameters of the two-part reaction at 6 MPa CO2. Results indicate that pressure and CO2 exerted a combined effect on the curing reaction. In particular, pressure and CO2 solvation effects changed with varying conversion rates and CO2 pressures. This study provides an effective analysis methodology and an accurate kinetic model for characterizing and predicting high-pressure cure kinetics and unexpected cure separation in a peroxide-cured SR system under compressed CO2.

Effect of Ethanol and Iso-Octane Blends on Isolated Low-Temperature Heat Release in a Spark Ignition Engine

<div>Low-temperature heat release (LTHR) is of interest for its potential to help control autoignition in advanced compression ignition (ACI) engines and mitigate knock in spark ignition (SI) engines. Previous studies have identified and investigated LTHR in both ACI and SI engines before the main high-temperature heat release (HTHR) event and, more recently, LTHR in isolation has been demonstrated in SI engines by appropriately curating the in-cylinder thermal state during compression and disabling the spark discharge. Ethanol is an increasingly common component of market fuel blends, owing to its renewable sources. In this work, the effect of adding ethanol to iso-octane (2,2,4-trimethylpentane) blends on their LTHR behavior is demonstrated. Tests were run on a motored single-cylinder engine elevated inlet air temperatures and pressures were adjusted to realize LTHR from blends of iso-octane and ethanol without entering the HTHR regime. The blends were tested with inlet temperatures of 40°C–140°C at equivalence ratios of 0.5, 0.67, and 1.0 with boosted (1.5 barA) conditions. The measured LTHR decreased with increasing ethanol content for all conditions tested; iso-octane–ethanol blends with above 20% ethanol content (by volume) showed minimal LTHR under engine conditions. These net effects resulted from the combination of thermal effects (charge cooling) and chemical effects (reactivity changes at low temperatures). The effect of temperature, pressure, fuel composition, and equivalence ratio on ignition delay times calculated from chemical kinetic modeling are presented alongside pressure–temperature trajectories of the in-cylinder gases to explain the trends. The underlying cause of the trends is explained by using a sensitivity analysis to determine the contribution of each reaction within the chemical kinetic mechanism to first-stage ignition, revealing the effect of introducing ethanol on the OH radical pool and resulting LTHR intensity.</div>

Facile synthesis of anthranilic acid based dual functionalized novel hyper cross-linked polymer for promising CO2 capture and efficient Cr3+ adsorption

A novel hyper cross-linked polymer of 2-Aminobenzoic acid (HCP-AA) is synthesized for the adsorption of Cr3+ and CO2. The Brunauer–Emmett–Teller surface area of HCP-AA is 615 m2 g−1. HCP-AA of particle size 0.5 nm showed maximum adsorption of Cr3+ for lab prepared wastewater (93%) while it was 88% for real industrial wastewater. It is might be due to electrostatic interactions, cation-π interactions, lone pair interactions and cation exchange at pH 7; contact time of 8 min; adsorbent dose 0.8 g. The adsorption capacity was calculated 52.63 mg g−1 for chromium metal ions at optimum conditions. Freundlich isotherm studies R2 = 0.9273 value is the best fit and follows pseudo second order kinetic model (R2 = 0.979). The adsorption is found non-spontaneous and exothermic through thermodynamic calculations like Gibbs free energy (ΔG), enthalpy change (ΔH) and entropy change (ΔS) were 6.58 kJ mol−1, − 60.91 kJ mol−1 and − 45.79 kJ mol−1 K−1, respectively. The CO2 adsorption capacity of HCP-AA is 1.39 mmol/g with quantity of 31.1 cm3/g (6.1 wt%) at 273Kwhile at 298 K adsorption capacity is 1.12 mmol/g with quantity 25.2 cm3/g (5 wt%). Overall, study suggests that carboxyl (–COOH) and amino (–NH2) groups may be actively enhancing the adsorption capacity of HCP-AA for Cr3+ and CO2.

Accessing the Potential of Bismuth Oxide Nanosheets for an incredible revelation in the removal of contamination in water bodies

<p>Water contamination is a pressing global issue with far-reaching environmental, health, and socio-economic consequences. As the demand for clean water intensifies, researchers are exploring innovative nanomaterials to develop efficient and sustainable water treatment technologies. The Bismuth oxide (Bi2O3) nanosheets were synthesized using a sustainable approach comprising Moringa oleifera seed extract as a biological capping and reducing agent. Analytical techniques were utilized to inspect the prepared nanosheets' crystalline, morphological, and optical characteristics. The optical properties, including light absorption and bandgap width, were investigated using UV-visible spectroscopy using a bandgap energy of 4.65 eV. In addition, the nanosheet's ability to degrade cationic malachite green and Rhodamine 6G dye and anionic eosin yellow and reactive black dyes by photocatalysis was evaluated. The degradation of cationic and anionic dyes was characterized by nanocatalysis using UV-visible spectroscopy and a pseudo-first-order kinetics model. The pseudo-first-order degradation kinetic rate of malachite green and Rhodamine 6G was determined to be 3.46 and 3.20 X 10-2 min-1, indicating that the prepared nanosheets effectively initiate this dye's degradation. The results showed dye degradation was more effective at cationic dyes than anionic dyes.</p>

Evaluation of a hybrid advanced oxidation process for removal of pirimicarb insecticide in aqueous media: Statistical optimization and estimation of electrical energy consumption

AbstractIn this paper, the role of periodate and persulfate as inorganic oxidants were studied in presence of ultraviolet radiation and titanium dioxide nanoparticles as a hybrid advanced oxidation photocatalytic processes for degradation and mineralization of the pirimicarb insecticide in aqueous media. The effects of several factors such as the ultraviolet irradiation, initial oxidant concentration, titanium dioxide nanoparticles dosage, and pH on the process performance were investigated. The process optimization was performed by the central composite design as a tools of response surface methodology for 30 mg L−1 of the insecticide initial concentration at 25°C and 10 min of degradation process. A degradation efficiency of about 86% and 85% have been obtained for the persulfate and periodate processes, respectively, in the optimum conditions. The mineralization efficiency of the process using persulfate and periodate were about 35% and 46% after 60 min, respectively. The kinetic studies show that both processes follow a pseudo‐first‐order kinetic model and the rate constants were 0.1483 min−1 for the persulfate and 0.1152 min−1 for the periodate process. Generally, it can be concluded that this method is suitable for the degradation and mineralization of toxic aromatic compounds.

Kinetic Modeling and Techno-Economic Analysis of a Methanol-to-Gasoline Production Repurposed Refinery Equipment

Kinetic Modeling and Techno-Economic Analysis of a Methanol-to-Gasoline Production Repurposed Refinery Equipment

Study on Defluoridation of Water by Using Activated Carbon Derived from Chestnut Shell as Adsorbent

The present work intended to produce new cost-effective alkali-treated adsorbents from chestnut shells with the purpose of removing fluoride from water, and to explore the effect of pyrolysis temperature on fluoride decontamination at different functional parameters. The microstructure and morphological characteristics of the resulting activated carbons were thoroughly investigated using BET, FTIR, XRD and SEM. The effectiveness of the prepared adsorbent materials in treating and remediating fluorinated water was evaluated. The impacts of several factors, including the dose of the adsorbent, the initial contamination of fluoride, pH as well as the effectiveness were investigated. In accordance with the data the highest adsorption was found to be at a 6 pH during 5 hours of processing duration and 0.5 g/L of dosage of adsorbent. The observational results were well-fit by the Freundlich isotherm model and the pseudo-second-order kinetic model. The highest ability and efficiency to adsorb fluoride was observed as 78%, at a pH value of 6 for 10 mg/L fluoride solution by the adsorbent prepared at 800 °C. Additional research on adsorption along with rejuvenation revealed that the reduction in adsorption potential to 10% following four repetitions of operation involving regeneration, thereby showcasing the adsorbent's versatile applicability for repeated use.

Beetaloo gas, hydrogen and geothermal resources – insights from 3D basin modelling

The Beetaloo Sub-basin hosts a large proven shale gas resource, and this study demonstrates the opportunities for other low-emission energy sources including geothermal energy and natural hydrogen. CSIRO has developed a 3D basin model that predicts reservoir rock properties, pore pressure, composition of hydrocarbons and gas capacity of the Velkerri and Kyalla shales. Kinetic modelling also demonstrates that where Velkerri shale is overmature for hydrocarbons it potentially generated significant amounts of free molecular hydrogen. However, the proportion of this hydrogen currently preserved in the basin is unknown. The model also reveals considerable temperature anomalies around specific structural domains with heat flow up to 100 mW/m−2, and these are likely associated with radiogenic basement lithologies. These thermal domains are targets to further investigate geothermal and natural hydrogen resource potential in the Beetaloo Sub-basin.