In-depth study of adsorption mechanisms and interactions in the removal of pharmaceutical contaminants via activated carbon: a physicochemical analysis.

This study presents a theoretical analysis of the adsorption process of pharmaceutical pollutants, specifically acetaminophen (ATP) and diclofenac (DFC), onto activated carbon (AC) derived from avocado biomass waste. The adsorption isotherms of ATP and DFC were analyzed using a multilayer model, which revealed the formation of two to four adsorption layers depending on the temperature of the aqueous solution. The saturation adsorption capacities for ATP and DFC were 52.71 and 116.53 mg/g, respectively. A steric analysis suggested that the adsorption mechanisms of ATP and DFC involved a multi-molecular process. The calculated adsorption energies (ΔE1 and ΔE2) varied between 12.86 and 22.58 kJ/mol, with the highest values observed for DFC removal. Therefore, the adsorption of these organic molecules was associated with physisorption interactions: van der Waals forces and hydrogen bonds. These findings enhance the understanding of the depollution processes of pharmaceutical compounds using carbon-based adsorbents and highlight the potential of utilizing waste biomass for environmental remediation.

A Network of Processes for Biorefining Burdock Seeds and Roots.

In this work, a novel sustainable approach was proposed for the integral valorisation of Arctium lappa (burdock) seeds and roots. Firstly, a preliminary recovery of bioactive compounds, including unsaturated fatty acids, was performed. Then, simple sugars (i.e., fructose and sucrose) and phenolic compounds were extracted by using compressed fluids (supercritical CO2 and propane). Consequently, a complete characterisation of raw biomass and extraction residues was carried out to determine the starting chemical composition in terms of residual lipids, proteins, hemicellulose, cellulose, lignin, and ash content. Subsequently, three alternative ways to utilise extraction residues were proposed and successfully tested: (i) enzymatic hydrolysis operated by Cellulases (Thricoderma resei) of raw and residual biomass to glucose, (ii) direct ethanolysis to produce ethyl levulinate; and (iii) pyrolysis to obtain biochar to be used as supports for the synthesis of sulfonated magnetic iron-carbon catalysts (Fe-SMCC) to be applied in the dehydration of fructose for the synthesis of 5-hydroxymethylfurfural (5-HMF). The development of these advanced approaches enabled the full utilisation of this resource through the production of fine chemicals and value-added compounds in line with the principles of the circular economy.

An Integrated Process Analysis for Producing Glycerol Carbonate from CO2 and Glycerol.

Glycerol carbonate (GC) is one of the most attractive green chemicals involved in several applications such as polymer synthesis, e. g., the production of polyurethanes and polycarbonates. This relevant chemical can be produced, in a green way, using CO2 (from carbon capture) and glycerol (a byproduct from biodiesel manufacturing). Therefore, in this work, a comprehensive analysis of the GC production process is conducted based on the following synthesis route: urea-dimethyl carbonate-GC using carbon dioxide and glycerol as the main raw materials where the synthesis pathway was efficiently integrated using Aspen Plus. A techno-economic analysis was performed in order to estimate the required capital investment and operating cost for the whole GC process, providing insights on individual capital cost requirements for the urea, dimethyl carbonate, and GC production sections. A total capital cost of $192.1 MM, and a total operating cost of $225.7 MM/y were estimated for the process. The total annualized cost was estimated as $1,558 USD/t of GC produced, competitive with current market price.

Sustainable removal of caffeine and acetaminophen from water using biomass waste-derived activated carbon: Synthesis, characterization, and modelling.

The removal of caffeine (CFN) and acetaminophen (ACT) from water using low-cost activated carbons prepared from artichoke leaves (AAC) and pomegranate peels (PAC) was reported in this paper. These activated carbons were characterized using various analytical techniques. The results showed that AAC and PAC had surface areas of 1203 and 1095 m2 g-1, respectively. The prepared adsorbents were tested for the adsorption of these pharmaceuticals in single and binary solutions. These experiments were performed under different operating conditions to evaluate the adsorption properties of these adsorbents to remove CFN and ACT. AAC and PAC showed maximum adsorption capacities of 290.86 and 258.98 mg g-1 for CFN removal, 281.18 and 154.99 mg g-1 for the ACT removal over a wide pH range. The experimental equilibrium adsorption data fitted to the Langmuir model and the kinetic data were correlated with the pseudo-second order model. AAC showed the best adsorption capacities for the removal of these pharmaceuticals in single systems and, consequently, it was tested for the simultaneous removal of these pollutants in binary solutions. The simultaneous adsorption of these compounds on AAC was improved using the central composite design and response surface methodology. The results indicated an antagonistic effect of CFN on the ACT adsorption. AAC regeneration was also analyzed and discussed. A statistical physics model was applied to describe the adsorption orientation of the tested pollutants on both activated carbon samples. It was concluded that AAC is a promising adsorbent for the removal of emerging pollutants due to its low cost and reusability properties.

Physicochemical assessment of ammonium adsorption using a palm shell-based adsorbent activated with acetic acid: experimental and theoretical studies.

The adsorption of ammonium from water was studied on an activated carbon obtained using raw oil palm shell and activated with acetic acid. The performance of this adsorbent was tested at different operating conditions including the solution pH, adsorbent dosage, and initial ammonium concentration. Kinetic and equilibrium studies were carried out, and their results were analyzed with different models. For the adsorption kinetics, the pseudo-first order equation was the best model to correlate this system. Calculated adsorption rate constants ranged from 0.071 to 0.074 g/mg min. The ammonium removal was 70-80% at pH 6-8, and it was significantly affected by electrostatic interaction forces. Ammonium removal (%) increased with the adsorbent dosage, and neutral pH condition favored the adsorption of this pollutant. The best ammonium adsorption conditions were identified with a response surface methodology model where the maximum removal was 91.49% with 2.27 g/L of adsorbent at pH 8.11 for an initial ammonium concentration of 36.90 mg/L. The application of a physical monolayer model developed by statistical physics theory indicated that the removal mechanism of ammonium was multi-ionic and involved physical interactions with adsorption energy of 29 kJ/mol. This activated carbon treated with acetic acid is promising to depollute aqueous solutions containing ammonium.

Environmental remediation of the norfloxacin in water by adsorption: Advances, current status and prospects.

Antibiotics are considered as the new generation water pollutants as these disturb endocrine systems if water contaminated with antibiotics is consumed. Among many antibiotics norfloxacin is present in various natural water bodies globally. This antibiotic is considered an emerging pollutant due to its low degradation in aquatic animals. Besides, it has many side effects on human vital organs. Therefore, the present article discusses the recent advances in the removal of norfloxacin by adsorption. This article describes the presence of norfloxacin in natural water, consumption, toxicity, various adsorbents for norfloxacin removal, optimization factors for norfloxacin removal, kinetics, thermodynamics, modeling, adsorption mechanism and regeneration of the adsorbents. Adsorption takes place in a monolayer following the Langmuir model. The Pseudo-second order model represents the kinetic data. The adsorption capacity ranged from 0.924 to 1282 mg g-1. In this sense, the parameters such as the NFX concentration added to the adsorbent textural properties exerted a great influence. Besides, the fixed bed-based removal at a large scale is also included. In addition to this, the simulation studies were also discussed to describe the adsorption mechanism. Finally, the research challenges and future perspectives have also been highlighted. This article will be highly useful for academicians, researchers, industry persons, and government authorities for designing future advanced experiments.

Sodium alginate-modified alkali-activated eggshell/Fe3O4 nanoparticles: A magnetic bio-based spherical adsorbent for cationic dyes adsorption.

Herein, a mixture of eggshell (ES) and magnetite nanoparticles (MNPs) was alkali-activated using NaOH/Na2SiO3 solution and then, impregnated with sodium alginate (SA) to prepare a magnetic bio-based adsorbent (namely SAAES/SA/MNPs) for the decontamination of water containing basic dyes, in particular, methylene blue (MB) and crystal violet (CV). The physicochemical properties of magnetic spheres of SAAES/SA/MNPs were characterized using XRD, FTIR, FESEM, EDX, elemental mapping, TEM, and zeta potential techniques. Dye adsorption equilibrium was studied experimentally at pH 8.0 and 25-55 °C, and a statistical physics multilayer model was applied to understand the removal mechanism of these dyes including the adsorption orientations on the adsorbent surface. The number of adsorbed dye molecules per functional group (n) of this bio-based adsorbent ranged from 0.70 to 0.91, indicating the presence of vertical and horizontal adsorption orientations for these organic molecules at all tested solution temperatures. The calculated saturation adsorption capacities (Qsat) were 332.57-256.62 mg/g for CV and 304.47-240.62 mg/g for MB, and an exothermic adsorption was observed for both adsorbates. The estimated adsorption energies (∆E) were < 25 kJ/mol, confirming that the SAAES/SA/MNPs-dye interactions were governed by physical forces as electrostatic interactions. This bio-based adsorbent was effectively regenerated using ethanol and it can be reused showing a removal of 71 and 74 % of MB and CV, respectively, after fourth adsorption-desorption cycles. Overall, the results of this article suggest the attractive performance of SAAES/SA/MNPs for removing basic dyes from aqueous solutions, thus highlighting the promising potential of this magnetic bio-based adsorbent for sustainable wastewater treatment at an industrial level.

Adsorption of perfluorooctanoic carboxylic and heptadecafluorooctane sulfonic acids via magnetic chitosan: isotherms and modeling.

This paper evaluates the adsorption mechanism of perfluorooctanoic carboxylic acid (PFCA) and heptadecafluorooctane sulfonic acid (HFOSA) on magnetic chitosan for the first time via a statistical physics modeling. Magnetic chitosan (MC-CoFe2O4) was produced from shrimp wastes and used in standard batch adsorption systems to remove PFCA and HFOSA. The experimental isotherms indicated that the maximum adsorption capacities ranged from 14 to 27.12 mg/g and from 19.16 to 45.12 mg/g for PFCA and HFOSA, respectively, where an exothermic behavior was observed for both compounds. The adsorption data were studied via an advanced model hypothesizing that a multilayer process occurred for these adsorption systems. This theoretical approach indicated that the total number of formed layers of PFCA and HFOSA adsorbates is about 3 (Nt = 2.83) at high temperatures (328 K) where a molecular aggregation process was noted during the adsorption. The maximum saturation-multilayer adsorption of PFCA and HFOSA on magnetic chitosan was 30.77 and 50.26 mg/g, respectively, and the corresponding adsorption mechanisms were successfully investigated. Two energies were responsible for the formed adsorbate layer directly on the surface and the vertical layers were computed and interpreted, reflecting that physical interactions were involved to bind these molecules on the adsorbent surface at different temperatures where the calculated adsorption energies ranged from 14 to 31 kJ/mol. Overall, this work provides theoretical insights to understand the adsorption mechanism of PFCA and HFOSA using the statistical physics modeling and its results can be used to improve the adsorbent performance for engineering applications.

Binary adsorption isotherms of methylene blue and crystal violet on mandarin peels: prediction via detailed multivariate calibration and density functional theory (DFT) calculations.

The multicomponent adsorption of synthetic dyes has great relevance in the treatment of effluents due to the complexity of the adsorbate-adsorbent interactions. Therefore, this study provides useful information about the adsorption capacity of methylene blue (MB) and crystal violet (CV) in a bioadsorbent (mandarin peels) in a single-component and competitive system using detailed multivariate calibration analysis. The PLS1 multivariate calibration model was used to quantify the adsorbates. In mono and two-component systems, the adsorption capacity of CV (1.26-1.36 mg g-1) was superior when compared to MB (0.925-0.913 mg g-1), characterizing synergistic adsorption for CV and antagonistic adsorption for MB. The Sips model was effective for describing single-component systems, suggesting that adsorption did not occur in the monolayer. For competitive adsorption, modified, unmodified, and extended models were used to understand the interactions between the dyes and the bioadsorbent. The modified Redlich-Peterson (MRP) model was effective in describing the behavior of the binary system, indicating that the interaction forces with the adsorbate were significant. Thus, the bioadsorbent showed promising results for competitive adsorption, thus being of relevance to the industrial sector. Density functional calculations were also performed to characterize the atomic interactions for the removal of both dyes on mandarin peels.

Lipid extraction in the primary sludge generated from urban wastewater treatment: characteristics and seasonal composition analysis.

A seasonal study of the lipid composition of a primary sludge (dry and dewatered base) obtained from an urban wastewater treatment plant located in Aguascalientes (Mexico) is reported. This study assessed the variability in sludge composition to establish its potential as a raw material for biodiesel production. Lipid recovery was achieved by extraction using two solvents. Hexane was employed for lipid extraction from dry sludge, whereas hexane and ethyl butyrate were used for comparison with dewatered sludge. The formation (%) of fatty acid methyl esters (biodiesel) was determined using extracted lipids. The extraction results from the dry sludge showed 14 and 6% of recovered lipids and their conversion to biodiesel, respectively. For the dewatered sludge, the lipid recovery and biodiesel formation were 17.4 and 60% using hexane, and 23 and 77% for ethyl butyrate, respectively, on a dry basis. Statistical data indicated that lipid recovery depended on the physicochemical characteristics of sewage sludge, which were related to seasonal changes, population activities, and changes in plant configuration, among other factors. These variables must be considered in the design of large-scale extraction equipment for the application and commercial exploitation of biomass waste in biofuel production.

Polymeric hydrogels-based materials for wastewater treatment.

Low-cost and reliable wastewater treatment is a relevant issue worldwide to reduce the concentration of environmental pollutants. Industrial effluents containing dyes, heavy metals, and other inorganic and organic compounds can pollute water resources; therefore, novel technologies are required to mitigate and control their release into the environment. Adsorption is one of the simplest methods for treating contaminated water in which a wide spectrum of adsorbents can be used to remove emerging compounds. Hydrogels are interesting materials with high adsorption capacities that can be synthesized via green routes. These adsorbents are promising for large-scale industrial wastewater treatment applications; however, gaps still exist in achieving sustainable commercial implementation. This review focuses on the discussion and analysis of preparation, characterization, and adsorption properties of hydrogels for water purification. The advantages of these polymeric materials for water treatment were analyzed, including their performance in the removal of different organic and inorganic contaminants. Recent advances in the functionalization of hydrogels and the synthesis of novel composites have also been described. The adsorption capacities of hydrogel-based adsorbents are higher than 500 mg/g for different organic and inorganic pollutants, and can reach values of up to >2000 mg/g for organic compounds, significantly outperforming other materials reported for water cleaning. The main interactions involved in the adsorption of water pollutants using hydrogel-based adsorbents were described and explained to allow the interpretation of their removal mechanisms. The current challenges in the implementation of hydrogels for water purification in real-life operations are also highlighted. This review provides an updated picture of hydrogels as interesting materials to address water depollution worldwide.

Valorization of biowastes for clean energy production, environmental depollution and soil fertility.

The mother earth is a source of natural resources that, in conjunction with anthropogenic activities, generates a wide spectrum of different biowastes. These biomaterials can be used as low-cost raw feedstock to produce bioenergy, value-added products, and other commodities. However, the improper management and disposal of these biowastes can generate relevant environmental impacts. Consequently, it is imperative to explore alternative technologies for the valorization and exploitation of these wastes to obtain benefits for the society. This review covers different aspects related to valorization of biowastes and their applications in water pollution, soil fertility and green energy generation. The classification and characteristics of different biowastes (biosolids, animal wastes and effluents, plant biomass, wood and green wastes) including their main generation sources are discussed. Different technologies (e.g., pyrolysis, hydrothermal carbonization, anaerobic digestion, gasification, biodrying) for the transformation and valorization of these residues are also analyzed. The application of biowastes in soil fertility, environmental pollution and energy production are described and illustrative examples are provided. Finally, the challenges related to implement low-cost and sustainable biowaste management strategies are highlighted. It was concluded that reliable simulation studies are required to optimize all the logistic stages of management chain of these residues considering the constraints generated from the economic, environmental and social aspects of the biowaste generation sources and their locations. The recollection and sorting of biowastes are key parameters to minimize the costs associated to their management and valorization. Also, the concepts of Industry 4.0 can contribute to achieve a successful commercial production of the value-added products obtained from the biowaste valorization. Overall, this review provides a general outlook of biowaste management and its valorization in the current context of circular economy.

Effective removal of Cr(VI) and methyl orange by nano magnetite loaded starch/muscovite biocomposite: Characterization, experiments, advanced modeling, and physicochemical parameters interpretation.

Magnetite nanoparticles (MNPs) synthesized from heated basalt were used to support a biocomposite prepared from muscovite (Mus) and carbohydrate polymer starch (St). The developed Mus/St/MNPs composite was characterized by XRD, FTIR, FESEM, TGA, DSC, and Zeta potential techniques. This multifunctional composite showed outstanding adsorption properties for hexavalent chromium (Cr(VI)) and methyl orange (MO) removal at 25-55 °C and pH 3.0. The adsorption isotherms were fitted to Langmuir model for Cr(VI) and Freundlich equation for MO. To understand microscopically these systems and to analyze their adsorption geometry and interactions mechanism, three statistical physics models were utilized. Theoretical calculations indicated that Cr(VI) ions were adsorbed on composite surface presenting a combination of horizontal and vertical positions, while the aggregated MO molecules displayed a non-parallel adsorption orientation and multi-interactions mechanism. The saturation adsorption capacity increased from 243.37 to 371.59 mg/g for Cr(VI) and 409.29 to 457.62 mg/g for MO at 25 and 55 °C (i.e., endothermic interactions). Cr(VI) and MO adsorption on Mus/St/MNPs was controlled by van der Waals forces, hydrogen bonding, and electrostatic interactions where the calculated adsorption energies were 12.5-30.62 kJ/mol. The utilized adsorbent was easily reactivated and reused several times where regenerated Mus/St/MNPs composite showed nearly 79 % of Cr(VI) and 85 % of MO adsorption capacities even after the fourth adsorption-desorption cycle. This study contributes to understand the physicochemical factors of Cr(VI) and MO adsorption on multifunctional adsorbents like MNPs/carbohydrate polymers/aluminosilicates interface.

Assessment of Gnaphalium viscosum (Kunth) Valorization Prospects: Sustainable Recovery of Antioxidants by Different Techniques.

This work investigates the prospects for exploitation of Gnaphalium viscosum (Kunth) abundant but with limited applications till present biomass. The feasibility of traditional techniques (two-phase solvent, and the benchmark Soxhlet extraction) and supercritical extraction without/with a cosolvent at T = 40-60 °C and p = 30-50 MPa was examined to explore the possibility of recovering phytochemicals from G. viscosum leaves, flowers and stems. The efficiency of the techniques was assessed and compared based on yield, influence of solvents used, total phenolic content and antioxidant activity of the extracts. Phenolics of different complexities were identified and quantified by applying LC (LC-MS/MS, and LC-HRAM), while the fatty acid profile was determined by GC-FID. The results of this extensive study demonstrated the huge valorization potential and prospects of G. viscosum, since highly potent antioxidants such as kaempferol, kaempferol-3-O-ß-d-glucoside (astragalin), and chlorogenic acid were ascertained in considerable amounts. Furthermore, for the first time, the presence of leontopodic acid, a greatly substituted derivative of glucaric acid, was detected in the species.

Preparation and Characterization of an Electrospun Whey Protein/Polycaprolactone Nanofiber Membrane for Chromium Removal from Water.

Chromium pollution represents a worldwide concern due to its high toxicity and bioaccumulation in organisms and ecosystems. An interesting material to remove metal ions from water is a whey-protein-based material elaborated by electrospinning, which is an emerging method to produce adsorbent membranes with diverse applications. The aim of this study was to prepare an adsorbent membrane of whey protein isolate (WPI) and polycaprolactone (PCL) by electrospinning to remove chromium ions from water. The adsorbent membrane was synthesized by a central composed design denaturing WPI using 2-Mercaptoethanol and mixing it with PCL to produce electrospun nanofibers. The adsorbent membrane was characterized by denaturation, Scanning Electron Microscope, Fourier-Transform Infrared Spectroscopy, Contact Angle, Thermogravimetric Analysis, and X-ray Photoelectron Spectrometry. The adsorption properties of this membrane were assessed in the removal of chromium. The removal performance of the membrane was enhanced by an increase in temperature showing an endothermic adsorption process. The adsorption process of chromium ions onto the nanofiber membrane followed the Sips adsorption isotherm, while the adsorption kinetics followed a pseudo-second kinetics where the maximum adsorption capacity was 31.0 mg/g at 30 °C and pH 2. This work provides a novel method to fabricate a hybrid membrane with amyloid-type fibrils of WPI and PCL, which is a promising adsorbent to remove heavy metal ions from water.

Recent advances in aqueous virus removal technologies.

The COVID-19 outbreak has triggered a massive research, but still urgent detection and treatment of this virus seems a public concern. The spread of viruses in aqueous environments underlined efficient virus treatment processes as a hot challenge. This review critically and comprehensively enables identifying and classifying advanced biochemical, membrane-based and disinfection processes for effective treatment of virus-contaminated water and wastewater. Understanding the functions of individual and combined/multi-stage processes in terms of manufacturing and economical parameters makes this contribution a different story from available review papers. Moreover, this review discusses challenges of combining biochemical, membrane and disinfection processes for synergistic treatment of viruses in order to reduce the dissemination of waterborne diseases. Certainly, the combination technologies are proactive in minimizing and restraining the outbreaks of the virus. It emphasizes the importance of health authorities to confront the outbreaks of unknown viruses in the future.

Synthesis and preparation of acid capped CdSe nanocrystals as successful adsorbent and photocatalyst for the removal of dyes from water and its statistical physics analysis.

In this study, mercaptosuccinic acid capped CdSe nanocrystals were successfully synthesized and used as photocatalyst for the effective removal of methylene blue (MB) inaqueous solution under visible light and sunlight irradiations including its analysis with statistical physics theory. Dye adsorption properties of these nanocrystals were investigated via experimental kinetics and equilibrium studies. These experimental data were modeled via the application of statistical physics theory to explain the corresponding adsorption mechanism and to characterize the steric and energetic parameters involved in the dye removal. A maximum adsorption capacity of 27.07 mg g-1 (80% of dye removal) was observed in 10 min using an initial concentration of 30 mg L-1. Statistical physics calculations indicated that the adsorption energy was lower than 40 kJ mol-1. It was also established that the dye adsorption was associated to the electrostatic interactions and hydrogen bonding where dye aggregation and multi-molecular adsorption were expected. Overall, the dye removal was a spontaneous, feasible and exothermic. It was concluded that adsorption properties of CdSe-MSA nanocrystals improved the dye photo-catalytic degradation efficiency under visible light thus achieving up to 80% degradation efficiency in 60 min. The synergic effect of adsorption and photo-catalytic degradation performance was mainly due to the surface area (136.43 m2 g-1), small size (3.7 nm), and structural defects (selenium vacancies Se, interstitial of cadmium ICd) of CdSe nanocrystals, which enhanced both the response of these nanomaterials to visible light and their photo-catalytic activity. In summary, these nanocrystals are promising materials to be used in wastewater treatment under sunlight for the removal of organic compounds like dyes.

Preparation and evaluation of a coated smectite clay-based material modified with epichlorohydrin-dimethylamine for the diclofenac removal.

This study reports the analysis of diclofenac removal from aqueous solution using a novel adsorbent coating with amphoteric surface. This adsorbent coating was improved using a new amphoteric ratio to increase its performance for the removal of pharmaceuticals such as diclofenac. The adsorbent coating was formulated using acrylic polymer emulsion, smectite-based clay powder and epichlorohydrin-dimethylamine to obtain a layer form via the implementation of a facile synthesis method. In a previous study, this adsorbent coating was successful to remove cationic and anionic dyes. Therefore, this research aimed to further investigate and test its application in the removal of other emerging water pollutants like pharmaceuticals. SEM, EDX, and FTIR analyses were carried out for the characterization of this novel adsorbent. The effects of adsorbent composition, diclofenac concentration, temperature, and solution pH were studied and modeled. The best conditions to improve the diclofenac adsorption was 303 K and pH 3 where the adsorption capacity was 25.59 mg/g. Adsorption isotherms and kinetics were quantified and modeled, and the corresponding adsorption mechanism was also analyzed. Diclofenac adsorption with this novel material was exothermic and spontaneous. This alternative adsorbent is promising for diclofenac removal from industrial wastewater systems.

Using an enhanced multilayer model to analyze the performance of nickel alginate/graphene oxide aerogel, nickel alginate aerogel/activated carbon, and activated carbon in the adsorption of a textile dye pollutant.

This work describes the modeling and analysis of methylene blue molecule on different adsorbents, namely, nickel alginate/graphene oxide (NA/GO) aerogel, nickel alginate/activated carbon (NA/AC) aerogel, and Trichosanthes kirilowii maxim shell activated carbon (TKAC). A multilayer statistical physics model was used to calculate the energetic and steric parameters of the adsorption of methylene blue on these adsorbents. Based on the modeling investigation, it was concluded that the formation of multiple dye adsorbed layers on these adsorbents could be feasible where physical adsorption interactions could be involved. Adsorption capacities at saturation of these adsorbents ranged from 542.97 to 470.03 mg/g, 790.66 to 684.47 mg/g, and 401.11 to 1236.24 mg/g for NA-GO aerogel, NA-AC aerogel, and TKAC, respectively. This research contributes with new findings for the understanding of dye adsorption on novel materials, which can be used in water pollution control.

Cellulose, clay and sodium alginate composites for the removal of methylene blue dye: Experimental and DFT studies.

Cellulose/clay/sodium alginate composites were prepared and employed for the removal of methylene blue (MB) dye. Cellulose was extracted from a paper mill waste and used for composite preparation with sodium alginate (Na-Alg) and clay. MB dye removal was analyzed at different operating conditions (pH, initial concentration, temperature, composite dose). The dye was adsorbed up to 90% for an equilibrium time of 60 min at optimum level of adsorbent dose (0.05 g), temperature (30 °C) and pH (i.e., 7 and 11 for cellulose-Na-Alg and cellulose-Na-Alg-clay, respectively). Kinetics and isotherms of MB adsorption were quantified and modeled. Results showed that MB dye adsorption data followed the pseudo-first order kinetics and a statistical physics model was used to analyze the adsorption mechanism. Thermodynamic calculation revealed that the MB dye adsorption on these composites was an exothermic, spontaneous and feasible process. The composites were regenerated with HCl thus contributing to their reutilization in subsequent adsorption cycles. The DFT (density functional theory) calculations were executed to explain the interactions responsible for the adsorption of MB dye on the composites. Results revealed that the Na-Alg-cellulose composites were effective for the MB dye removal. Therefore, these composites can be considered as low-cost alternative adsorbents for the pollution remediation caused by dyes in industrial effluents.