Equilibrium Data Research Articles

Multiscale Responsive Kinetic Modeling: Quantifying Biomolecular Reaction Flux under Varying Electrochemical Conditions.

Attaining a complete thermodynamic and kinetic characterization for processes involving multiple interconnected rare-event transitions remains a central challenge in molecular biophysics. This challenge is amplified when the process must be understood under a range of reaction conditions. Herein, we present a novel condition-responsive kinetic modeling framework that can combine the strengths of bottom-up rate quantification from multiscale simulations with top-down solution refinement using both equilibrium and nonequilibrium experimental data. Although this framework can be applied to any process, we demonstrate its use for electrochemically driven transport through channels and transporters via the development of electrochemically responsive rates. Using the Cl-/H+ antiporter ClC-ec1 as a model system, we show how optimal and predictive kinetic solutions can be obtained when the solution space is grounded by thermodynamic constraints, seeded through multiscale rate quantification, and further refined with experimental data, such as electrophysiology assays. Turning to the Shaker K+ channel, we demonstrate that optimal solutions and biophysical insights can also be obtained with sufficient experimental data. This multi-pathway method also proves capable of identifying single-pathway dominant channel mechanisms but reveals that competing and off-pathway flux is still essential to replicate experimental findings and to describe concentration-dependent channel rectification.

Removal of As(V) and Cr(VI) using quinoxaline chitosan schiff base: synthesis, characterization and adsorption mechanism.

Elevated Arsenic and Chromium levels in surface and ground waters are a significant health concern in several parts of the world. Chitosan quinoxaline Schiff base (CsQ) and cross-linked chitosan quinoxaline Schiff base (CsQG) were prepared to adsorb both Arsenate [As(V)] and Chromium [Cr(VI)] ions. The thermo-gravimetric analysis (TGA), X-ray diffraction analysis (XRD), and Fourier-transform infrared spectroscopy (FTIR) were used to investigate the prepared Schiff bases (CsQ) and (CsQG). The UV-VIS spectra showed a shift in the wavelength area of the modified polymer, indicating the reaction occurrence, besides the variation of the shape and intensity of the peaks. The XRD patterns showed the incensement of the amorphous characteristic. On the other hand, the thermal stability of the modified polymers is better according to TGA studies; also, the morphology of the modified chitosan was investigated before and after crosslinking (CsQ and CsQG) using a scanning electron microscope (SEM) where the surface was fall of wrinkles and pores, which then were decreased after cross-linking. Contact time, temperature, pH, and initial metal ion concentration were all studied as factors influencing metal ion uptake behavior. The Langmuir, Temkin, Dubinin-Radushkevich, and Freundlich isotherm models were used to describe the equilibrium data using metal concentrations of 10-1000 mg/L at pH = 7 and 1 g of adsorbent. The pseudo-first-order and pseudo-second-order kinetic parameters were evaluated. The experimental data revealed that the adsorption kinetics follow the mechanism of the pseudo-second-order equation with R2 values (0.9969, 0.9061) in case of using CsQ and R2 values (0.9989, 0.9999) in case of using CsQG, demonstrating chemical sorption is the rate-limiting step of the adsorption mechanism. Comparing the adsorption efficiency of the synthesized Schiff base and the cross-linked one, it was found that CsQ is a better adsorbent than CsQG in both cases of As(V) and Cr(VI) removal. This means that cross-linking doesn't enhance the efficiency as expected, but on the contrary, in some cases, it decreases the removal. In addition, the newly modified chitosan polymers work better in As(V) removal than Cr(VI); the removal is 22.33% for Cr(VI) and 98.36% for As(V) using CsQ polymer, whereas using CsQG, the values are 6.20% and 91.75% respectively. On the other hand, the maximum adsorption capacity (Qm) for As(V) and Cr(VI) are 8.811 and 3.003 mg/g, respectively, using CsQ, while in the case of using CsQG, the Qm value reaches 31.95 mg/g for As(V), and 103.09 mg/g for Cr(VI).

Methylene Blue Adsorption Using Boric Acid Functionalized Activated Carbon: Kinetics, Isothermal, and Thermodynamic Studies

AbstractIn this study, the activated carbon (AC) was prepared from Sesbania sesban plant stem. Boric acid (H3BO3) was used as an activating agent. During calcination, the optimized temperature was kept upto 500 °C for 2 h. The prepared adsorbents were characterized using various techniques such as FT‐IR, scanning electron microscopy, energy dispersive x‐ray spectroscopy, and thermogravimetric analyzer. The prepared adsorbents were used for the removal of methylene blue (MB) dye adsorption. The adsorption experiments were conducted at different pHs such as (2–11), doses (0.0025–0.020 mg), times (30–300 min), MB initial concentrations (100–600 mg L−1), and temperatures (298–318 K), respectively. The maximum MB uptake capacity of the prepared adsorbent was 1380 mg g−1 under optimized adsorption conditions. Furthermore, the kinetic study is well described by pseudo‐second order, whereas the isothermal study showed the Freundlich isotherm was better followed by the equilibrium data. Based on thermodynamic studies, the negative values of ΔG° and ΔH° revealed that the MB adsorption process is spontaneous and exothermic in nature. However, the negative ∆Sxg° value indicates that solid‐solute interaction decreased randomness in the adsorption systems. The overall studies of AC showed that it was better to remove MB from an aqueous solution.

Adsorptive removal of carcinogenic azo dye from aqueous solution using NaCPT@HDTMA

ABSTRACT This study investigated the effectiveness of the clinoptilolite (Na@CPT) surface as an adsorbent for removing anionic dyes. The Na@CPT surface was modified using hexadecyltrimethylammonium bromide (NaCPT@HDTMA) to improve its ability to remove Reactive Blue 171 (RB171) from water. A thorough study was conducted to analyze the adsorption isotherms, kinetics, temperature, and pH effects of RB171 onto Na@CPT and NaCPT@HDTMA. A pH of 1.0 was found to be the optimum value for adsorbents. Kinetic studies revealed that both adsorbents followed the pseudo-second-order kinetic model, with NaCPT@HDTMA exhibiting a faster adsorption process and quickly reaching equilibrium with increasing temperature. The adsorption efficiency of RB171 was found to improve by 83.56% after the modification at 50°C. The equilibrium data showed that the adsorption of RB171 on Na@CPT and NaCPT@HDTMA fit the Freundlich and Langmuir isotherm models, respectively. The thermodynamic parameters showed that the overall adsorption process of both adsorbents was endothermic and spontaneous. NaCPT@HDTMA is a highly effective adsorbent for removing RB171 from aqueous solution due to its low cost and abundant presence in nature.

Effectiveness of Musa Balbisiana bract toward chromium removal from industrial tannery effluent: optimization, kinetics, isotherms, regeneration, and cost estimation

Eradicating chromium from industrial effluent is essential for environmental security and economic reasons. This study investigates the potency of activated Musa balbisiana bract biomass as a biosorbent to remove hexavalent chromium (Cr6+) from real industrial tannery effluent (ITE). The characterization study exemplifies the existence of irregular structures and excessive cavities, and the occurrence of functional groups (hydroxyl, carboxyl, esters, and alkynes) are benefitting the deposition of Cr6+ on the biosorbent. A maximum biosorption capacity of 42.75 ± 0.21mg/g was observed at an optimum pH of 6.5, biosorbent dosage of 0.3g, initial Cr6+ concentration of 50mg/L, and contact time of 120min. The validation experiment confirmed the removal efficiency of total chromium, trivalent chromium, and Cr6+ 92.56 ± 0.80%, 98.63 ± 0.20%, and 96.21 ± 0.50%, respectively. Among the models, Langmuir isotherm (R2: 0.9992) and pseudo-second order (R2: 0.9999) kinetic models greatly correlate with the equilibrium data. A 2-tier membrane module was examined for continuous study and reached 88.23 ± 0.60% Cr6+ removal. Statistical analysis was performed to confirm the significance of adsorption results. The likelihood of the desorption and regeneration of the treated biosorbent was investigated. The estimated cost per volume of ITE treated and unit of pollutant removal from ITE employing Musa balbisiana bract biosorbent is around $3.08/m3 and $3.75/kg.

COSMO-RS prediction, experimental investigation, and mechanism analysis: A new approach to separating the n-hexane–tert-butanol azeotropic system via liquid-liquid extraction with ionic liquids

n-Hexane and tert-Butanol (TBA) are frequently utilized to refine the conditions for Grignard, Wittig, and Friedel-Crafts alkylation reactions. During the synthesis of loratadine, the formation of azeotropic mixtures n-hexane and TBA, which are challenging to separate through conventional distillation, is inevitable. This study utilizes the COSMO-RS model to identify suitable ionic liquids (ILs) for the separation of the n-hexane–TBA azeotropic system. Based on solvent capacity and selectivity, 1-ethyl-3-methylimidazolium trifluoroacetate ([EMIM][TFA]), 1-butyl-3-methylimidazolium trifluoroacetate ([BMIM][TFA]), and 1-hexyl-3-methylimidazolium trifluoroacetate ([HMIM][TFA]) were selected as extractants. The liquid–liquid equilibrium (LLE) data for the n-hexane–TBA – ILs ternary system were measured at 303.15 K and atmospheric pressure. Distribution coefficients and selectivity were calculated to evaluate the performance of the extractants, with the NRTL model used to correlate the experimental LLE data. The consistency of the NRTL model parameters was corroborated through topological analysis associated with the Gibbs tangent principle. Quantum chemical calculations, including interaction energy, ESP analysis, IGMH analysis, and QTAIM topological analysis, were performed to explore the separation mechanism at the molecular level. The results indicated that the interaction energies between the ILs and TBA were higher than those between the ILs and n-hexane, indicating a stronger attraction of ILs to TBA. Consequently, the ILs effectively separated TBA from the n-hexane–TBA azeotropic system, with extraction capacities ranked as [EMIM][TFA] > [BMIM][TFA] > [HMIM][TFA]. The quantum chemical calculations successfully explained the experimental results, aligning with COSMO-RS model predictions and confirming their reliability. IGMH and QTAIM topological analyses systematically explored the types and strengths of interactions, revealing that hydrogen bonds are predominant between the ILs and TBA, with additional contributions from van der Waals forces. Furthermore, the hydrogen bond strengths between TBA and the anions and cations of the ILs are classified as strong and moderate, respectively. This work provides valuable insights into the separation of azeotropic systems using ILs, elucidating the underlying mechanisms behind this process.

Thermodynamic re-optimisation of the CaO-FeO-Fe2O3 system integrated with experimental phase equilibria studies (Part II – Thermodynamic optimisation)

The Ca-Fe-O system is essential for understanding the chemical equilibria involved in copper production using calcium ferrite slags. It forms a core component of a complex 20-component Cu-Pb-Zn-Fe-Ca-Si-O-S-Al-Mg-Cr-Na-As-Sn-Sb-Bi-Ag-Au-Ni-Co system developed for diverse applications in ferrous and non-ferrous metallurgy. This study re-evaluates the Ca-Fe-O system using recent experimental phase equilibrium data acquired by the authors [1] through advanced equilibration, quenching, and Electron Probe X-ray Microanalysis (EPMA) techniques. Thermodynamic properties of solid phases have been revised in accordance with the recommendations for the third generation of Calphad databases. Liquid endmember heat capacities have been refined to describe glass transition behaviour in supercooled liquids. The updated properties of liquid endmembers significantly extend the applicability of the database, enabling lower-temperature applications related to toxic element leaching from amorphous and partially crystallized slags. The revised, higher melting temperature of CaO enhances predictive accuracy in multicomponent systems. Liquid slag phase has been modelled within the Modified Quasichemical Formalism to account for short-range ordering phenomena. Recent advances in modelling and optimization technique made it possible to assess experimental data within the Ca-Fe-O system as an integral part of a large multicomponent dataset, applicable for industrial conditions.

Phase equilibrium and separation process of byproduct vinyl acrylate in the ethylene vapor phase method producing vinyl acetate

Vinyl acrylate is one of the byproducts in the ethylene vapor phase method for the production of vinyl acetate (VAc), which not only has a toxic effect on the catalyst but also affects the purity of the product. Currently, phase equilibrium data for vinyl acrylate with water are missing, making the destination of vinyl acrylate in the distillation process uncertain. This has led to a lack of effective removal means, which restricts the optimization of the ethylene vapor phase method. This paper uses a method combining quantum chemistry and molecular dynamics simulation (MD) to investigate the existential form of the water molecule. And based on the ab initio calculation of the first principle, the force field parameters of the special water molecular structure are calculated, and the TIP4P-P force field that can describe the special water structure is established. Using the Gibbs Ensemble Monte Carlo (GEMC) method, the reliability of the improved water molecule force field for modeling the phase equilibrium of a binary system is first verified. Further, vapor–liquid phase equilibrium data for the vinyl acrylate-water binary system at 110 kPa and 150 kPa are calculated and the corresponding x-y and T-x-y phase diagrams are plotted. After performing the thermodynamic consistency test, the phase equilibrium data are fitted to obtain the binary interaction parameters of vinyl acrylate with water. The fitted parameters are applied to the process simulation of the VAc refining process to optimize the conditions and obtain an effective separation scheme for vinyl acrylate. The concentration distribution of vinyl acrylate in the distillation column is investigated, thus clarifying the destination of vinyl acrylate in the distillation process and facilitating the optimization of the ethylene vapor phase method.

The influence of pure compounds’ parameters on the phase behaviour of carbon dioxide + 1-hexanol binary system

New vapour–liquid–liquid and vapour–liquid equilibrium data to complement the existing ones are measured at six temperatures (308.15 K to 383.15 K) and at pressures up to 182.9 K using an analytic-static method with phases sampling via special valves (“AnTVisVarCap”, as defined by Prof. Ralf Dohrn and co-workers) for the carbon dioxide (1) + 1-hexanol (2) binary system. Four out of the six isotherm reported here are measured for the first time. The main component of the high-pressure setup is a 60 cm3 visual cell.The new isotherms are compared with the available literature which is also reviewed and analysed. It should be noted that among the data already published, only one other research group reported the compositions of both phases at equilibrium, as we did previously by using another experimental method. The new and literature data were modelled with Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state based on a semi-predictive procedure to reproduce as well as possible the minimum and the maximum of the critical curve(s) using one set of binary interaction parameters. The influence of critical data and acentric factors of pure components on the phase behaviour of their binary system is discussed. Although the values of the critical pressures and acentric factors of pure substances are not very different in the database we used, the models predict type III or IV phase behaviour with the same set of binary interaction parameters. This sensitivity, which was not observed for other systems we studied, could be explained by the alcohol structure and high asymmetry of the system. Therefore, we analysed in more depth the influence of the critical temperatures and pressures, as well as the acentric factors of carbon dioxide and 1-hexanol and exemplified for one temperature located above the system UCEP's temperature.

A Facile Synthesis of RGO-Ag2MoO4 Nanocomposites for Efficient Lead Removal from Aqueous Solution.

Efficiently treating wastewater, particularly the elimination of heavy metal ions from water systems, continues to be one of the most pressing and complex challenges in modern environmental management. In this work, reduced graphene oxide coupled silver molybdate binary nanocomposites (RGO-Ag2MoO4 NCs) have been prepared via hydrothermal method. The crystalline nature and surface properties of the developed RGO-Ag2MoO4 NCs were proved by XRD, FTIR, SEM, and EDS techniques. Adsorption experiments demonstrated that the nanocomposites (NCs) effectively removed Pb(II) ions within 120 min, achieving a maximum removal efficiency ranging from 94.96% to 86.37% for Pb(II) concentrations between 20 and 100 mg/L at pH 6. Kinetic studies showed that the adsorption process followed a pseudo-second order model. Isotherm analysis presented that the Langmuir model provided the greatest fit for the equilibrium data, with a monolayer adsorption capacity of 128.94 mg/g. Thermodynamic analysis revealed that the adsorption process was spontaneous and endothermic. The results of this study highlight RGO-Ag2MoO4 NCs as a highly promising and eco-friendly material for the effective elimination of Pb(II) ions from wastewater. Their strong adsorption capacity, coupled with sustainable properties, makes them an efficient solution for addressing lead contamination, offering significant potential for practical applications in water treatment systems.

Lithium recovery in a batch adsorption study: Synthesis, characterization, optimization, regeneration, kinetics, and isotherm studies

Lithium (Li)recovery is significant due to an increasing need for Li in diverse applications, particularly in the energy storage domain. In this study, a synthesized adsorbent was developed and utilized to efficiently recover Li. Therefore, this research aims to assess the effectiveness of using the synthesized adsorbent LiHMO to recover Li from the aqueous solution. The surface area and characteristics of the synthesized adsorbent were subjected to analysis utilizing different methods and techniques, including scanning electron microscopy (FESEM), X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) analysis, and Fourier-transform infrared spectroscopy (FTIR). The findings indicated that the synthesized adsorbent demonstrated exceptional adsorption capabilities for Li recovery. Characterization analysis revealed a well-defined porous structure and functional groups on the adsorbent's surface, facilitating adsorption. The surface area of the adsorbent was determined to be 25.54 m²/g, providing a substantial active surface for adsorption processes. The Box-Behnken response surface method (RSM) was utilized to optimize the recovery process for key factors such as pH, adsorbent dose, time, and concentration. The critical operating parameters identified included a pH of 4, initial concentration of 900 mg/L, contact time of 460 min, and adsorbent dosage of 1300 mg/L. The obtained data were analyzed using a quadratic model, yielding an R² value of 0.9538, indicating that the adsorbent is effective in Li adsorption. The optimal conditions for maximizing Li recovery were found to be 95 % and 89 % for maximum and minimum recovery, respectively. The amount of adsorbate adsorbed (qe) was determined to be 6.2 mg g-1. Various kinetic models and isotherms were utilized to conform to these parameters. The Freundlich isotherm and the intraparticle diffusion model showed strong fits, as evidenced by their R² results of 0.9876 and 0.9862, respectively. The kinetic study suggested that the intraparticle-diffusion model best explained the adsorption process, indicating chemisorption as the rate-limiting step. The equilibrium data fitted well with the Freundlich isotherm, suggesting multilayer adsorption with heterogeneous surface energies. Furthermore, the study assessed the adsorbent's regeneration potential, finding that the first cycle of regeneration achieved 91.9 % efficiency, while the fifth cycle maintained a high efficiency of 89.7 %, indicating good reusability of the adsorbent. The study's findings showcase the efficiency of the synthesized adsorbent LiHMO in Li recovery from aqueous solutions, offering valuable information about the best conditions for the adsorption process. As a result of its superior sorption capacity and high recovery of adsorbed Li, the LiHMO adsorbent was selected as the optimal choice for Li recovery from aqueous solutions.

Polymeric resins containing modified starch as environmentally friendly adsorbents for dyes and metal ions removal from wastewater.

Effective removal of organic and inorganic impurities by adsorption technique requires the preparation of new materials characterized by low production costs, significant sorption capacity, and reduced toxicity, derived from natural and renewable sources. To address these challenges, new adsorbents have been developed in the form of polymer microspheres based on ethylene glycol dimethacrylate (EGDMA) and vinyl acetate (VA) (EGDMA/VA) containing starch (St) modified with boric acid (B) and dodecyl-S-thiuronium dodecylthioacetate (DiTDTA) for the removal of dyes: C.I. Basic Blue 3 (BB3) and C.I. Acid Green 16 (AG16) and heavy metal ions (M(II)): Cu(II), Ni(II), and Zn(II) from water and wastewater. The adsorbents were characterized by ATR/FT-IR, DSC, SEM, BET, EDS, and pHPZC methods. These analyses demonstrated the successful modification of microspheres and the increased thermal resistance resulting from the addition of the modified starch. The point of zero charge for EGDMA/VA was 7.75, and this value decreased with the addition of modified starch (pHPZC = 6.62 for EGDMA/VA-St/B and pHPZC = 5.42 for EGDMA/VA-St/DiTDTA). The largest specific surface areas (SBET) were observed for the EGDMA/VA microspheres (207m2/g), and SBET value slightly decreases with the modified starch addition (184 and 169m2/g) as a consquence of the pores stopping by the big starch molecules. The total pore volumes (Vtot) were found to be in the range from 0.227 to 0.233cm3/g. These materials can be classified as mesoporous, with an average pore diameter (W) of approximately 55Å (5.35-6.10nm). The SEM and EDS analyses indicated that the EGDMA/VA microspheres are globular in shape with well-defined edges and contain 73.06% of carbon and 26.94% of oxygen. The microspheres containing modified starch exhibited a loss of smoothness with more irregular shape. The adsorption efficiency of dyes and heavy metal ions depends on the phases contact time, initial adsorbate concentration and the presence of competing electrolytes and surfactants. The equilibrium data were better fitted by the Freundlich isotherm model than by the Langmuir, Temkin, and Dubinin-Radushkevich models. The highest experimental adsorption capacities were observed for the BB3 dye which were equal to 193mg/g, 190mg/g, and 194mg/g for EGDMA/VA, EGDMA/VA-St/B, EGDMA/VA-St/DiTDTA, respectively. The dyes and heavy metal ions were removed very rapidly and the time required to reach system equilibrium was below 20min for M(II), 40min for BB3, and 120min for AG16. 50% v/v methanol and its mixture with 1M HCl and NaCl for dyes and 1M HCl for M(II) desorbed these impurities efficiently.

Eco-Friendly Green Approach to the Biosorption of Hazardous Dyes from Aqueous Solution on Ragweed (Ambrosia artemisiifolia) Biomass

The presented research includes the preparation, characterization, and implementation of magnetic biosorbent (Fe3O4/RWB), obtained from ragweed (Ambrosia artemisiifolia) biomass. Fe3O4/RWB was examined for the removal of a hazardous dye, malachite green (MG), from an aqueous solution in a batch system. The effects of the experimental parameters—initial dye concentration (10–300 mg/L), contact time (0–120 min), biosorbent dose (1–5 g/L), initial pH (2–10), ionic strength (0–1 mol/L), and temperature (298–318 K) on dye biosorption—were studied. The results showed that increases in biosorbent dose, contact time, and initial pH led to an increase in biosorption efficiency, while the increase in initial dye concentration, the ionic strength, and temperature had the opposite effect. The biosorption kinetics for MG on Fe3O4/RWB were analyzed with pseudo-first-order, pseudo-second-order, and Elovich kinetic models, while the Langmuir, Freundlich and Temkin isotherm models were used for equilibrium data analysis. It was observed that the MG biosorption followed the pseudo-second-order kinetic model, whereas the Langmuir model was the best fit for the equilibrium biosorption data of MG, with a Qmax of 34.1 mg/g. the desorption of MG from Fe3O4/RWB indicated reusability in five adsorption/desorption cycles, good performance, and potential in practical applications.

 Synthesis and Characterization of Chitosan-Based Schiff Base and Cu(II) Complex from Shrimp Shells and its Application on Catalysis and Bio-sorption

In recent years, metal complexes and biopolymers have gained significant attention in environmental applications such as catalysis and heavy metal removal. Chitosan, a biopolymer derived from chitin, is well-known for its biodegradability, non-toxicity, and strong metal ion affinity, which can be further enhanced through Schiff bases to improve its catalytic and adsorption capabilities. The primary objectives of this study were to investigate whether Cu(II) complex of Chitosan Salicylaldehyde Schiff Base CSSB-Cu(II) can act as an efficient catalyst in hydrogen peroxide decomposition reaction and to find out the raw absorbent which has the highest Cadmium ion removal efficiency from among the absorbents Chitin (CT), Chitosan (CS) and Chitosan Salicylaldehyde Schiff Base (CSSB). CSSB was synthesized using the Schiff condensation reaction between the amino group of CS and the carbonyl compound of salicylaldehyde with the elimination of water molecules and it was complexed with Cu(II) ion to produce CSSB-Cu(II) complex. The catalytic effect of the CSSB-Cu(II) complex on the kinetics of the decomposition of hydrogen peroxide was investigated and compared with CSSB. CSSB-Cu(II) showed a better catalytic effect than CSSB and has a pseudo-first-order catalytic decomposition for H2 O2 . CT, CS, and CSSB were investigated as adsorbents for the Cd(II) removal to determine their cadmium removal efficiencies. This study concludes that the removal efficiency of CSSB was greater than that of CS and CT. The equilibrium data agreed more with the Langmuir model than with the Freundlich model. The IR and electronic spectral data confirm the presence of an imine bond and the existence of the complex in square planar geometry.

Optimization, Kinetic and Thermodynamic Study of Rhodamine B Removal by Zinc Chloride-activated Arachis hypogaea (Groundnut Husk) biochar

Adsorption of dye from industrial effluent before discharge into the environment has become a major challenge to the food, pharmaceutical, textile, photographic and cosmetic industries. This has led scientists to the search for suitable green solutions. Carbonized and zinc chloride activated Arachis hypogaea (groundnut husk) in a 1:1 ratio was used as an adsorbent for the removal of Rhodamine B from aqueous solution. The adsorbent was characterized by ash content, bulk density, moisture content, pH, Iodine number, surface area and functional group analyses. Key parameters such as initial pH, initial concentration of Rhodamine B dye, temperature and contact time were investigated. The equilibrium data obtained were correlated with Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherms. It was found that both the Freundlich and Langmuir isotherms fit well to the data. The Langmuir isotherm model best describes the uptake of Rhodamine B onto zinc chloride activated groundnut husk biochar with R2 > 0.997. Maximum Rhodamine B. dye removal was observed at a pH of 11.0, with an adsorbent dosage of 1.0 g, a contact time of 125 min, an initial dye concentration of 20 mg/L and a temperature at 315 K. The efficiency of zinc chloride activated groundnut husk biochar for Rhodamine B removal was 99.55% for dilute solutions at 50 g/L. The Fourier Transform Infrared (FTIR) spectra recorded before and after activation showed the numbers of functional groups available for Rhodamine B. molecules to bind onto in the studied adsorbent. The kinetic data were best described by the pseudo-first-order and pseudo second-order models, while the thermodynamic studies indicated a spontaneous and endothermic nature in the adsorption of Rhodamine B by the zinc chloride modified groundnut husk. This research clearly details an innovative approach to utilizing carbonized and zinc chloride-activated Arachis hypogaea (groundnut husk) as an eco-friendly adsorbent for the removal of Rhodamine B from industrial effluents.

Construction and demolition waste as a low-cost adsorbent for water treatment: kinetics, isotherm, thermodynamics, and Fenton regeneration.

The present study proposes to investigate the feasibility of using construction and demolition waste (CDW) as an aqueous remediation agent through adsorption. The CDW, with and without chemical and thermal pre-activation, was evaluated to remove the methylene blue (MB) dye from the water solution. Variables interfering with adsorption processes, such as adsorbent dosage, solution pH, and particle size, were evaluated. The material was characterized by pHZPC, FTIR, XRD, SEM, EDS, and TG. The kinetic and equilibrium data better fitted the Elovich and Sips models, respectively. A maximum adsorption capacity of 18.62mgg-1 at 60°C was observed. Thermodynamic data indicated that adsorption occurred through a spontaneous and favorable process governed mainly by physical processes. The regeneration studies were carried out using processes based on the Fenton reaction, where the catalytic action of the iron naturally present in the CDW was evaluated. The results showed that the desorption balance was the main limiting factor for the effective regeneration of the saturated material. Adding Fe2+ to the system made this process suitable for the regeneration of the CDW and degradation of the pollutant in the aqueous phase. A regeneration efficiency of 65%, maintained practically constant during five adsorption-regeneration cycles, was observed. These results highlight the high potential of using CDWs as an adsorbent material.

Sustainable pretreatment method of lignocellulosic depolymerization for enhanced ruminant productivity using laccase protein immobilized agarose beads

Laccase, the selectively lignin degrader, vital to the initiation of lignocellulosic deconstruction was immobilized onto activated agarose beads to increase its reuse potential. Laccase cross-linked beads (~ 3.42 mm) recorded a specific activity of 23 Umg− 1, retaining about 80.43% enzyme activity after 45 days of storage. The immobilization yield and efficiency were 89% and 97% respectively. The equilibrium data fitted the Freundlich equation (R2 = 0.9987) demonstrating multilayer adsorption and the presence of Cu, Fe, and S in the elemental analysis of immobilized beads established effective binding between activated agarose beads and the laccase protein. Characterization studies of the immobilized laccase-treated crop residues revealed significant differences in the lignin polymer after each treatment cycle. An increase in digestibility of 26.21% and 7.62% was observed in paddy and finger millet-treated straws respectively, over the controls corroborating efficient lignin depolymerization. The propitious performance of laccase beads authenticated in the batch enzymatic reactor to treat crop residues paves headway as a sustainable green technology in the deconstruction of crop residues for use as ruminant feed, augmenting productivity.

Equilibrium Data Mining and Data Abundance

ABSTRACTWe study theoretically how the proliferation of new data (“data abundance”) affects the allocation of capital between quantitative and nonquantitative asset managers (“data miners” and “experts”), their performance, and price informativeness. Data miners search for predictors of asset payoffs and select those with a sufficiently high precision. Data abundance raises the precision of the best predictors, but it can induce data miners to search less intensively for high‐precision signals. In this case, their performance becomes more dispersed and they receive less capital. Nevertheless, data abundance always raises price informativeness and can therefore reduce asset managers' average performance.

Sustainable Activated Carbon from Agricultural Waste: A Study on Adsorption Efficiency for Humic Acid and Methyl Orange Dyes

In this study, porous activated carbon was produced from coffee waste and used as an effective adsorbent for the removal of humic acid (HA) from seawater and methyl orange (MO) dye from aqueous solutions. Phosphoric acid H3PO4 was used as an activating agent for the chemical activation of these agricultural wastes. The characterization of the activated carbon obtained using a scanning electron microscope (SEM), Fourier-transform infrared (FTIR) spectroscopy analysis, X-ray diffraction (XRD) and the Brunauer–Emmett–Teller (BET) method revealed that the activated carbon products exhibited high porosity and the formation of various functional groups. The effects of different parameters were examined using batch adsorption experiments, such as the adsorbent masses, pH, initial pollutant concentration and contact time. The results show that the performance increased with an increased adsorbent mass (up to 0.25 g/L) and decreased initial concentration of the adsorbent tested. On the other hand, this study clearly showed that the adsorption efficiency of the MO on the raw spent coffee grounds (SCGs) waste was around 43%, while no removal was observed for the humic acid. The experiments demonstrated that the activated carbon synthesized from the used coffee grounds (the efficiency was compared with commercial activated carbon (CAC) with a difference of 13%) was a promising alternative to commercially available adsorbents for the removal of humic acid from seawater. To understand and elucidate the adsorption mechanism, various isothermal and kinetic models were studied. The adsorption capacity was analyzed by fitting experimental data to these models. The experimental data for methyl orange dyes were analyzed using Langmuir and Freundlich isothermal models. The Freundlich isotherm model provided a superior fit to the equilibrium data, as indicated by a higher correlation coefficient (R2) than that of the Langmuir model. The maximum adsorption was observed at pH 3. The Freundlich adsorption capacity was found to be 333 mg/g adsorbent. The PAC showed a high adsorption capacity for the MO and HA. The PAC showed the highest adsorption capacities for the HA and MO compared with the other adsorbents used (SCGs and CAC) and would be a good material to increase the adsorption efficiency for humic acid removal in the seawater pretreatment process. In addition, the prepared AC BET surface area was 520.40 m2/g, suggesting a high adsorption capacity. This makes the material potentially suitable for various applications that require a high surface area. These results indicate that high-quality sustainable activated carbon can be efficiently produced from coffee waste, making it suitable for a wide range of adsorbent applications targeting various pollutants.

Adsorptive Removal of Bisphenol A by Polyethylene Meshes Grafted with an Amino Group-Containing Monomer, 2-(Dimethylamino)ethyl Methacrylate

The adsorptive removal of Bisphenol A (BPA) with the PE meshes photografted with 2-(dimethylamino)ethyl methacrylate (DMAEMA) was performed by varying the grafted amount, pH value, BPA concentration, and temperature, and the adsorption performance was correlated by the equilibrium, kinetic, and isotherm models. In addition, the regeneration of DMAEMA-grafted PE (PE-g-PDMAEMA) meshes was discussed from the repetitive adsorption/desorption process. The adsorption capacity had the maximum value at the grafted amount of 2.6 mmol/g and at the initial pH value of 8.0. The increase in the protonation of dimethylamino groups on grafted PDMAEMA chains and the dissociation of phenol groups of BPA present in the outer solution during the adsorption process results in the increase in BPA adsorption. The adsorption process followed the pseudo second-order equation. The BPA adsorption was enhanced by increasing the BPA concentration and the equilibrium data fit to Langmuir equation. The adsorption capacity stayed almost constant with the increase in the temperature, whereas the k2 value increased against the temperature. These results comprehensively emphasized that BPA adsorption occurred through the chemical interaction or ionic bonding of a BPA anion to a terminal protonated dimethylamino group. Desorption of BPA increased by increasing the NaOH concentration and BPA was entirely desorbed at more than 20 mM. The cycle of adsorption at pH 8.0 and desorption in a NaOH solution at 100 mM was repeated five times without loss or structural damage. These results indicate PE-g-PDMAEMA meshes can be used as a regenerative adsorbent for BPA removal from aqueous medium.