Removal Of Methylene Blue Dye Research Articles

Removal of Methylene blue dye from contaminated wastewater using lignocellulosic biomasses: A comparative study

In this study, lupine seed (Lu-SP) and pumpkin seed shells (PSSP) biomasses were used to create alternative and effective adsorbents. Methylene blue (MB) dye was removed from wastewater using the as-prepared adsorbents at variables solution pH 2.0 –11.0, contact period (0–180 min), and adsorbent mass (0.2–2.0 g/L). The solution pH had a synergistic effect on the improved removal of MB and the optimal adsorption removal for both adsorbents occurred at pH 8.0 and 120 min. The adsorption isotherm modelling results showed a good fit with the Langmuir model, with a maximum monolayer adsorption capacity of 48.98 and 77.48 mg/g for PSSP and Lu-SP, respectively. Similarly, the pseudo-first-order (PFO) model is regarded as the best-fit kinetic model for both adsorbents and suggests the predominance of physisorption via interfacial diffusion. Mechanistic investigation of the present system suggests that both intraparticle diffusion and surface sorption mechanisms control the adsorption rate. Notably, the Lu-SP with a lower surface area (54.013 m2/g) outperformed the PSSP (235.992 m2/g) in terms of adsorption capacity under varying pH. Therefore, in addition to electrostatic interaction, adsorption into the micropores via volume filling is considered one of the adsorption mechanisms. This study, therefore, revealed that the PSSP and Lu-SP may be very helpful for removing cationic MB dye from contaminated wastewater.

Adsorption potential of hydrochar derived from hydrothermal carbonization of waste biomass towards the removal of methylene blue dye from wastewater

Adsorption potential of hydrochar derived from hydrothermal carbonization of waste biomass towards the removal of methylene blue dye from wastewater

Sustainable Utilization of Food Biowaste (Papaya Peel) Extract for Gold Nanoparticle Biosynthesis and Investigation of Its Multi-Functional Potentials

Papaya contains high amounts of vitamins A, C, riboflavin, thiamine, niacin, ascorbic acid, potassium, and carotenoids. It is confirmed by several studies that all food waste parts such as the fruit peels, seeds, and leaves of papaya are potential sources of phenolic compounds, particularly in the peel. Considering the presence of numerous bioactive compounds in papaya fruit peels, the current study reports a rapid, cheap, and environmentally friendly method for the production of gold nanoparticles (AuNPs) employing food biowaste (vegetable papaya peel extract (VPPE)) and investigated its antioxidant, antidiabetic, tyrosinase inhibition, anti-inflammatory, antibacterial, and photocatalytic degradation potentials. The phytochemical analysis gave positive results for tannins, saponins, steroids, cardiac steroidal glycoside, protein, and carbohydrates. The manufactured VPPE-AuNPs were studied by UV–Vis scan (with surface plasmon resonance of 552 nm), X-ray diffraction analysis (XRD) (with average crystallite size of 44.41 nm as per the Scherrer equation), scanning electron microscopy–energy-dispersive X-ray (SEM-EDS), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), particle size, zeta potential, etc. The mean dimension of the manufactured VPPE-AuNPs is 112.2 d.nm (PDI—0.149) with a −26.1 mV zeta potential. The VPPE-AuNPs displayed a significant antioxidant effect (93.24% DPPH scavenging and 74.23% SOD inhibition at 100 µg/mL); moderate tyrosinase effect (with 30.76%); and substantial α-glucosidase (95.63%) and α-amylase effect (50.66%) at 100 µg/mL. Additionally, it was found to be very proficient in the removal of harmful methyl orange and methylene blue dyes with degradation of 34.70% at 3 h and 24.39% at 5 h, respectively. Taken altogether, the VPPE-AuNPs have been proven to possess multiple biopotential activities, which can be explored by the food, cosmetics, and biomedical industries.

Furfuryl-pyridinium-functionalization of flaxseed gum for effective methylene blue removal from aqueous solution

This study describes the modification of flaxseed gum (FSG) via furfural to obtain a furfuryl-pyridinium modified adsorbent (Flax-Py) with improved adsorption characteristics towards methylene blue (MB) versus results obtained for unmodified FSG. Materials characterization was achieved via complementary spectral methods (NMR, XPS, FT-IR, Raman, and XRD) as well as thermogravimetric analysis (TGA) and ζ-potential measurements. Synthetic modification of FSG to yield Flax-Py that led to enriched N-content (2.75 atom-% versus 0.76 atom-% for FSG), and the conversion of furfuryl to pyridinium was incomplete (ca. 50 %), where both moieties were identified. The adsorption isotherms at pH 7 showed that FSG possessed favorably high MB adsorption capacity (ca. 540 mg/g); while Flax-Py was notably lower (167 mg/g). Flax-Py facilitated 100% MB removal at low dye concentrations (1-10 mg/L) versus 50 % MB removal for the FSG bioadsorbent. Further, Flax-Py showed moderate loss of adsorption with MB (ca. 12-16% dye removal) after five regeneration cycles. Flax-Py revealed improved settling characteristics (time, density, gelation, and solubility) that facilitate enhanced phase separation of FSG fractions by circumventing the need for centrifugation. The adsorption mechanism was attributed primarily to H-bonding effects with secondary contributions due to electrostatic interactions (negative ζ-potential above pH 4.2). This study successfully modified FSG to obtain an improved adsorbent (Flax-Py) attaining nearly quantitative MB dye removal at environmentally relevant concentrations (< 15 mg/L).

Study on Preparation of Calcium-Based Modified Coal Gangue and Its Adsorption Dye Characteristics

Efficient and thorough treatment of dye wastewater is essential to achieve ecological harmony. In this study, a new type of calcium-based modified coal gangue (Ca-CG) was prepared by using solid waste coal gangue as raw material and a CaCl2 modifier, which was used for the removal of malachite green, methylene blue, crystal violet, methyl violet and other dyes in water. When the dosage of Ca-CG was 1–5 g/L, the dosage of Ca-CG was the main factor affecting the dye adsorption effect. The adsorption effects of Ca-CG on four dyes were as follows: malachite green > crystal violet > methylene blue > methyl violet. Kinetics, isotherms and thermodynamic analysis showed that the adsorption of malachite green, methyl blue, crystal violet and methyl violet by Ca-CG fitted the second-order kinetic model, and adsorption with chemical reaction is the main process. The adsorption of four dyes by Ca-CG conformed to the Freundlich model, which is dominated by multi-molecular layer adsorption, and the adsorption was easy to carry out. The adsorption process of Ca-CG on the four dyes was spontaneous. The results of FTIR, XRD and SEM showed that the calcium-based materials such as lipscombite and dolomite were the key to the adsorption of malachite green by Ca-CG, and the main mechanisms for the adsorption of malachite green by Ca-CG are surface precipitation, electrostatic action, and chelation reaction. Ca-CG adsorption has great potential for the removal of dye wastewater.

Blended Nephelium lappaceum and Durio zibethinus wastes for activated carbon production via microwave-ZnCl2 activation: optimization for methylene blue dye removal

Herein, this work targets to employ the blended fruit wastes including rambutan (Nephelium lappaceum) peel and durian (Durio zibethinus) seed as a promising precursor to produce activated carbon (RPDSAC). The generation of RPDSAC was accomplished through a rapid and practical procedure (microwave-ZnCl2 activation). To evaluate the adsorptive capabilities of RPDSAC, its efficacy in eliminating methylene blue (MB), a simulated cationic dye, was measured. The Box–Behnken design (BBD) was utilized to optimize the crucial adsorption parameters, namely A: RPDSAC dose (0.02–01 g/100 mL), B: pH (4–10), and C: time (2–6 min). The BBD design determined that the highest level of MB removal (79.4%) was achieved with the condition dosage of RPDSAC at 0.1 g/100 mL, contact time (6 min), and pH (10). The adsorption isotherm data is consistent with the Freundlich concept, and the pseudo-second-order versions adequately describe the kinetic data. The monolayer adsorption capacity (qmax ) of RPDSAC reached 120.4 mg/g at 25 °C. Various adsorption mechanisms are involved in the adsorption of MB dye onto the surface of RPDSAC, including π–π stacking, H-bonding, pore filling, and electrostatic forces. This study exhibits the potential of the RPDSAC as an adsorbent for removal of toxic cationic dye (MB) from contaminated wastewater.

Efficient Removal of Methylene Blue and Methyl Red Dyes Using a Novel Adsorbent Derived from Saponaria Officinalis Root via H3PO4, H2SO4, and KOH-Activation: Optimization, Kinetics, and Isotherm Study

This study focuses on the optimization, kinetics, and isotherms of a novel adsorbent derived from Saponaria Officinalis root for efficient removal of methylene blue and methyl red dyes. The preparation of the activated carbon involved specific parameters such as activating agents, impregnation time, and activation temperature. Results indicated a robust adsorption capacity, with the Langmuir isotherm model fitting well to the experimental data. The pseudo-second-order kinetic model demonstrated high applicability, highlighting the potential of the developed adsorbent for wastewater treatment applications. The adsorbent exhibited impressive iodine adsorption capacities ranging from 336.42 to 1250.09mg/g, with efficient removal rates of over 95% for methylene blue and 75% for methyl red dyes within specific time frames.

Exploring the potential of olive pomace derived activated charcoal as an efficient adsorbent for methylene blue dye: a comprehensive investigation of isotherms, kinetics, and thermodynamics

Methylene blue (MB) is a heterocyclic aromatic chemical compound used as a dye in various dyeing processes. The accumulation of such an organic compound poses a significant threat to both the environment and human health. Therefore, numerous biological, physical, and chemical processes have been established to remove MB dye, with adsorption being the most predominant dye-based treatment technology. In this context, the aim of this work was to evaluate the adsorption properties of activated carbon derived from olive pomace against methylene blue. To this end, scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDS), and Fourier transform infrared spectroscopy (FT-IR) analyses were carried out to confirm the adsorption of MB on carbon structures. In addition, the effect of contact time, pH, initial dye concentration, adsorbent dose, and temperature on the adsorption efficiency of MB was investigated. On the other hand, kinetic and isothermal models were used to further understand the adsorption mechanism, which showed a good correlation with the pseudo-second-order kinetic model and the Langmuir isotherm. Finally, thermodynamic analysis showed favorable conditions for physisorption, with the process being both endothermic and spontaneous.

Synthesis of carboxymethyl starch co (polyacrylamide/ polyacrylic acid) hydrogel for removing methylene blue dye from aqueous solution

Natural polysaccharides, notably starch, have garnered attention for their accessibility, cost-effectiveness, and biodegradability. Modifying starch to carboxymethyl starch enhances its solubility, swelling capacity, and adsorption efficiency. This research examines the synthesis of an effective hydrogel adsorbent based on carboxymethyl starch for the elimination of methylene blue from aqueous solutions. The hydrogel was synthesized using polyacrylamide and polyacrylic acid as monomers, ammonium persulfate as the initiator, and N,N′-methylenebisacrylamide as the cross-linker. Through FESEM, swelling morphology was evaluated in both distilled water and methylene blue dye. The adsorption data elucidated that the adsorption capacity of the hydrogel significantly depends on the dosage of the adsorbent, pH, and concentration of the MB dye. At a pH of 7 and a dye concentration of 250 mg/L, the hydrogel exhibited an impressive 95 % removal rate for methylene blue. The results indicate that the adsorption process follows pseudo-second-order kinetics and conforms well to the Langmuir adsorption isotherm, indicating a maximum adsorption capacity of 1700 mg/g. According to the pseudo-second-order kinetic model and FTIR analysis, methylene blue chemisorbs to the adsorbent material. Hydrogel absorbents regulate adsorption through both intra-particle diffusion and liquid film diffusion. These results highlight the potential of the new hydrogel absorber for water purification.

The effect of Ce doping on the structural, optical, and photocatalytic degradation of Mn–Co nanoferrites

This work demonstrates the preparation of Ni0.5Mn0.25Co0.25CexFe2-xO4 spinel nanoferrites (NMCCF nanoferrites) using the citrate combustion method. This study also investigated the characteristics of their structure, optics, and ability to degrade under light. The lattice strain and crystallite size of each NMCCF nanoferrite were measured by evaluating the XRD results using Williamson-Hall plots. The crystallite size was between 40 and 78 nm. The hopping lengths, bond lengths, surface areas, and densities of all NMCCF nanocrystals were measured and calculated. FTIR analysis showed two strong frequency bands at 571 and 390 cm−1, which are characteristic of spinel ferrites. SEM was used to investigate the particle size, composition, and distribution of the nanoferrites in the NMCCF sample. Scanning electron microscopy (SEM) analysis revealed the presence of spherical NMCCF nanoparticles and their tendency to aggregate. The Kubelka-Munk function and Tauc plots were used to predict the direct allowed Eg value of the NMCCF samples. NMCCF0, NMCCF1, NMCCF2, NMCCF3, NMCCF4, and NMCCF5 exhibited bandgap values of 1.515, 1.545, 1.506, 1.507, 1.499, and 1.473 eV, respectively. The behavior of Eg can be explained based on two criteria: doping impact and particle size. A comparative analysis of the photocatalytic degradation of the ideal sample (Ni0.5Mn0.25Co0.25Ce0.1Fe1.9O4) and other published photocatalytic materials demonstrated that the NMCCF5 nanoferrite exhibited a greater ability to remove methylene blue dye (97.38 %, within 60 min) compared to those materials. In addition, this comparative investigation demonstrated the enhanced stability of photocatalytic degradation capability exhibited by the current nanoferrites (with just a 1.55 % loss in efficiency after five cycles). This paper introduces an innovative method for producing spinel nanoferrites, with a specific focus on their structural, optical, and photocatalytic properties, which can be useful in the field of water treatment.

By-product Eucalyptus leaves valorization in the basic dye adsorption: kinetic equilibrium and thermodynamic study

Abstract Algerian Eucalyptus Leaves (AEL), a natural biodegradable adsorbent abundantly available, was used for the removal of methylene blue (MB) dye. The AEL properties for the removal of MB were investigated under different conditions by varying the AEL amount, MB concentration, pH of the solution and the reaction temperature. Scanning electron microscopy (SEM) and infrared spectroscopy (FTIR) techniques have been used to characterize AEL biosorbent. Experimental results showed that the adsorption of MB dye at the concentration of 50 mg L−1 reached to 91 % at pH 10 with a stirring speed of 200 rpm and after 180 min of reaction time. The experimental data were analyzed using the linear forms of different kinetic models (pseudo-first order kinetic model, pseudo-second order kinetic model, and intra-particle diffusion models). The results demonstrated that the adsorption kinetics of MB was consistent with the pseudo-second order model with R 2 value of 0.9969. The isotherm models Langmuir, Freundlich, Dubinin, Elovich, Brunaut Emmet Teller and Temkin models were also investigated to describe the adsorption equilibrium. The results show that the AEL adsorption is in accordance with Temkin isotherm. The thermodynamic study revealed that the adsorption is spontaneous and exothermic. Therefore, as a cheap green adsorbent with high MB adsorption performance, AEL is expected to become one of the best candidate materials for future industrial wastewater treatment.

Neem biomass derived carbon quantum dots synthesized via one step ultrasonification method for ecofriendly methylene blue dye removal

This article presents a one-step ultrasonication technique for generating biomass carbon dots (BCDs) from neem bark (Azadirachta indica) powder. The BCDs were characterized using modern techniques such as UV–Vis, FTIR, Raman, XRD, HRTEM, FESEM, EDAX, and Zeta potential analyses. Unlike traditional nanocomposite bed systems, this study utilized BCDs as a liquid-phase adsorbent for the regenerative adsorption of the environmentally harmful dye, methylene blue (MB), through an in-situ precipitation reaction. This involved the formation of BCDs-MB adduct via an electrostatic mechanism. The adsorption capacity and percentage of removal were remarkable at 605 mg g–1 and 64.7% respectively, exceeding various solid-based adsorption methods in the literature. The Langmuir isotherm and pseudo-second-order kinetics model provided an excellent fit for this system. The calculated thermodynamic parameter, Gibbs free energy change (ΔG) was negative, indicating a spontaneous, exothermic, and physisorption-based mechanism. The regenerative capacity of our system was further demonstrated by successfully extracting and recovering the MB dye (64%) using ethyl alcohol as the solvent. This method provides an efficient means of recovering valuable cationic organic dye compounds from contaminated environments.

Green Synthesis of Titanium dioxide Nanoparticles by utilizing Marchantia polymorpha and their Application in Methylene Blue Dye Removal

Green Synthesis of Titanium dioxide Nanoparticles by utilizing Marchantia polymorpha and their Application in Methylene Blue Dye Removal

Green Synthesis of Reduced Graphene Oxide Using the Tinospora cordifolia Plant Extract: Exploring Its Potential for Methylene Blue Dye Degradation and Antibacterial Activity.

Graphene has attracted significant attention recently due to its unique mechanical, electrical, thermal, and optical properties. The present study focuses on synthesizing green rGO using the Tinospora cordifolia plant extract by mixing it in a suspension of graphene oxide. The plant extract of T. cordifolia acts as a reducing agent and is cost-effective, renewable, and eco-friendly. Green-synthesized rGO (G-rGO) was characterized using FTIR, HR-SEM, EDX, and HR-XRD analyses. G-rGO consists of nanosheets with an average width of approximately 30 nm. G-rGO has a range of hydrodynamic radius (270-470) nm and an average ζ potential of -29.9 mV. Further, G-rGO was used as a nanoadsorbent for optimal exclusion of methylene blue (MB) dye using the response surface methodology (RSM). Adsorption results confirmed 94.85% MB dye removal with 58.81 mg g-1 adsorption capacity at optimum conditions. The G-rGO's antibacterial activity was also tested against Staphylococcus aureus (Gram-positive) and Escherichia coli (Gram-negative) bacteria, finding the exhibited zone of inhibition of 10, 11, and 15 mm and 10, 13, and 17 mm at 20, 40, and 80 μg mL-1 concentrations of G-rGO, respectively.

Polyaniline-supported g-C3N4/ZnO/Ag2CrO4 composite for photodegradation of methylene blue under visible light irradiation

Organic dyes are a major source of environmental pollution from different industries. To remove these recalcitrant, a novel ternary g-C3N4/ZnO/Ag2CrO4 and its polyaniline-supported (PANI) composites were synthesized using an “in situ” oxidative polymerization approach. XRD, SEM, UV–Vis DRS, and PL techniques were utilized to characterize the as-prepared composites. The photocatalytic efficiency was evaluated using a model organic pollutant, methylene blue (MB), and samples of the effluent of the textile industry. The as-synthesized ternary g-C3N4/ZnO/Ag2CrO4 (ZT3= 87.87 %) composite showed better photocatalytic performance than the single (5 %) and binaries (15–25 %) counterparts for MB degradation. The influence of various experimental settings on the photodegradation of MB dye was examined and these were an initial dye amount of 10 ppm, photocatalyst load of 0.15 g/L, and pH 10. Under optimized conditions, PANI-supported g-C3N4/ZnO/Ag2CrO4 composite (PAST) demonstrated substantial degradation efficiency (97.5 %). The reusability study of the spent catalyst revealed a reduced efficiency from 97.5 to 78.5 % photodegradation of MB after four successive cycles, demonstrating the photocatalyst's stability and efficiency. According to the study on the effect of scavengers, h+ plays a significant part in the discoloration of MB. The PAST photocatalyst outperformed the MB discoloration (97.5 %) and adequate degradation for real textile effluent samples (77.7 %) collected from Hawassa textile industries. The photodegradation efficiency result of this study demonstrated that PANI-supported g-C3N4/ZnO/Ag2CrO4 might serve as an advantageous photocatalyst for the efficient removal of MB and other dyes under visible light irradiation at the optimum conditions. The total estimated cost analysis of synthesis and photocatalytic degradation using Polyaniline-supported g-C3N4/ZnO/Ag2CrO4 composite found that it was quite affordable, costing around $5 per 1,000 L of wastewater treatment.

Natural sunlight assisted photocatalytic removal of methylene blue and crystal violet dyes using Ni doped tin oxide nanostructures synthesized via chemical and green route

Natural sunlight assisted photocatalytic removal of methylene blue and crystal violet dyes using Ni doped tin oxide nanostructures synthesized via chemical and green route

MnFe2O4-NH2-HKUST-1, MOF magnetic composite, as a novel sorbent for efficient dye removal: fabrication, characterization and isotherm studies

Dye in industrial wastewater is one of the most serious environmental concerns due to its potentially harmful effects on human health. Many industrial dyes are carcinogenic, toxic and teratogenic. Removal and recovery of hazardous dyes from the effluents requires efficient adsorbents. In this study, magnetic adsorbent MnFe2O4-NH2-HKUST-1 was synthesized to remove methylene blue and crystal violet dyes from aqueous solutions. The synthesized adsorbent was characterized using FTIR, XRD, BET, VSM, SEM, TGA and Zeta potential techniques. The effect of different parameters such as pH, contact time, and adsorbent dosage on the removal of dyes was investigated. The dye adsorption process was investigated by UV–Vis spectrophotometry. The maximum adsorbent capacity was obtained as 149.25 mg/g for methylene blue and 135.13 mg/g for crystal violet. The adsorption equilibrium isotherm and kinetic models were plotted and results showed that the adsorption process for both dyes is a collection of physical and chemical adsorption based on langmuir and freundlich isotherm models, and follows the pseudo-second-order adsorption kinetics. This study shows that magnetic adsorbent MnFe2O4-NH2-HKUST-1 has a good potential for removal of methylene blue and crystal violet dyes from water in a short time (5 min) and it is easily separated from the solution by a magnetic field due to its magnetic property.

Lignin nanoparticles as a highly efficient adsorbent for the removal of methylene blue from aqueous media

This work demonstrated enhanced adsorption capabilities of lignin nanoparticles (LNPs) synthesized via a straightforward hydrotropic method compared to pristine lignin (PL) powder for removing methylene blue dye from aqueous solutions. Kraft lignin was used as a precursor and p-toluenesulfonic acid as the hydrotrope to produce spherical LNPs with ~ 200 nm diameter. Extensive characterization by SEM, AFM, DLS, zeta potential, and BET verified successful fabrication of microporous LNPs with fourfold higher specific surface area (14.9 m2/g) compared to PL (3.4 m2/g). Significantly reduced particle agglomeration and rearranged surface chemistry (zeta potential of −13.3 mV) arising from the self-assembly of lignin fractions under hydrotropic conditions enabled the application of LNPs and superior adsorbents compared to PL. Batch adsorption experiments exhibited up to 14 times higher methylene blue removal capacity, from 20.74 for PL to 127.91 mg/g for LNPs, and ultrafast equilibrium uptake within 3 min for LNPs compared to 10 min for PL. Kinetic modeling based on pseudo-first-order and pseudo-second-order equations revealed chemisorption as the predominant mechanism, with a rate constant of 0.032825 g/mg·h for LNPs—over an order of magnitude higher than PL (0.07125 g/mg·h). Isotherm modeling indicated Langmuir monolayer adsorption behavior on relatively uniform lignin surface functional groups. The substantially augmented adsorption performance of LNPs arose from the increased surface area and abundance of surface functional groups, providing greater accessibility of chemically active binding sites for rapid dye uptake. Overall, this work demonstrates that tailoring lignin nanoparticle structure and surface chemistry via scalable hydrotropic synthesis is a simple and sustainable approach for producing highly efficient lignin-based nano-adsorbents for organic dye removal from industrial wastewater.

Removal of Methylene Blue Dye from Aqueous Solutions Using Polymer Inclusion Membrane Containing Calix[4]pyrrole.

The effective purification of aqueous solutions of methylene blue dye was tested using polymer inclusion membranes (PIMs) that contained cellulose triacetate (CTA) as a polymer base, o-nitrophenyl octyl ether (o-NPOE) as a plasticizer, and meso-tetra methyl tetrakis-[methyl-2-(4-acetlphenoxy)] calix[4]pyrrole (KP) as a carrier. Scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy were used to define the microstructure and surface of PIMs. Experimental results showed that, with an increased concentration of methylene blue in an aqueous solution, the removal percentage also increased. Further observation showed that the flux increased with the rise in the source phase pH values from 3 to 10. The carrier and plasticizer content in the membrane significantly influenced the membrane's transport properties. The optimal composition of the membrane in percent by weight for KP was 74% plasticizer; 18% support, and 8% carrier. The maximum MB removal (93.10%) was achieved at 0.10 M HCl solution as the receiving phase. It was shown that the membrane with optimal composition showed good reusability and enabled the easy and spontaneous separation of methylene blue from aqueous solutions.

Thermally modified nanocrystalline snail shell adsorbent for methylene blue sequestration: equilibrium, kinetic, thermodynamic, artificial intelligence, and DFT studies.

In recent years, the quest for an efficient and sustainable adsorbent material that can effectively remove harmful and hazardous dyes from industrial effluent has become more intense. The goal is to explore the capability of thermally modified nanocrystalline snail shells (TMNSS) as a new biosorbent for removing methylene blue (MB) dye from contaminated wastewater. TMNSS was employed in batch adsorption experiments to remove MB dye from its solutions, taking into account various adsorption parameters such as contact time, temperature, pH, adsorbent dosage, and initial concentration. SEM, EDS, XRD, and FTIR were used to characterize the adsorbent. The study further developed and adopted adaptive neuro-fuzzy inference system (ANFIS) and density functional theory (DFT) studies to holistically examine the adsorption process of MB onto the adsorbent. EDX and FTIR confirm the formation of CaO with a sharp peak at 547 cm-1, and C-O and O-H are present, as well. SEM and XRD show an irregularly shaped highly crystalline nanosized (65 ± 2.81 nm) particle with a lattice parameter value of 8.611617 Å. The adsorption efficiency of 96.48 ± 0.58% was recorded with a pH of 3.0 and an adsorbent dose of 10 mg at 30 °C. The findings from the study fit nicely onto Freundlich isotherms, with Qm = 31.7853 mg g-1 and R2 = 0.9985. Pseudo-second-order kinetics recorded the least error value of 0.8792 and R2 = 0.9868, thus indicating chemisorption and multilayer adsorption processes. The exothermic and spontaneous nature of the adsorption process are demonstrated by ΔH° and ΔG°. The performance of the ANFIS-based prediction of removal rate, which was demonstrated by a root mean square error (RMSE) value of 2.2077, mean absolute deviation (MAD) value of 1.1429, mean absolute error (MAE) value of 1.8786, and mean absolute percentage error (MAPE) value of 2.0178, revealed that the ANFIS model predictions and experimental findings are in good agreement. More so, DFT provides insights into the molecular interactions between MB and the adsorbent surface, with a calculated adsorbate-adsorbent binding affinity value of -1.3 kcal mol-1, thus confirming the ability of TMNSS for MB sequestration. The findings of this study highlight the promising potential of thermally modified nanocrystalline snail shells as sustainable and efficient adsorbents for MB sequestration.