Adsorptive removal of toxic malachite green from its aqueous solution by Bambusa vulgaris leaves and its acid-treated form: DFT, MPR and GA modeling

Ghosh, Koushik; Bar, Nathalie; Roymahapatra, Gourisankar; Biswas, Amitava; Das, Sudip

doi:10.1016/j.molliq.2022.119841

Cited by 20 publications

(5 citation statements)

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“…Minor alteration of chromosomes had been made during the process by maintaining the mutation probability at 0.1 and the crossover probability at 0.9. A similar process was used by researchers in the past 20,21,57,58 . Variation of generation number with respect to the generation error was described in Figure 16.…”

Section: Resultsmentioning

confidence: 99%

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Synthesis of chitosan‐nTiO₂ nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Bhattacharya

Bar²,

Rajbansi

et al. 2023

Applied Organom Chemis

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The present study comprises the preparation of chitosan-nTiO 2 nanocomposites and their characterization with the help of scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). Various adsorbent samples are prepared with different weight ratios of chitosan to nTiO 2 . The adsorption capacity of the prepared adsorbents towards Cu(II) in an aqueous solution is also tested. The adsorption experiment is performed in batch mode under varying experimental conditions. Several isotherm and kinetic models are analyzed with the experimental data, and thermodynamic conditions required for adsorption are also determined. The highest elimination of Cu(II) was 39.19% with the adsorbent chitosan without nTiO 2 (CWT) with 20 mg L À1 initial Cu (II) concentration at adsorbent dosage 3 gL À1 and 98.5% with the adsorbent CTNC1-1 (chitosan/nTiO 2 nanocomposite with the mass proportions of chitosan:nTiO 2 = 1:1) and 93% with CTNC2-1 (chitosan/nTiO 2 nanocomposite with the mass proportions of chitosan:nTiO 2 = 2:1) with 10 mg L À1 initial Cu(II) concentration at adsorbent dosage 5 g L À1 . The isotherm model confirmed the monolayer adsorption.Maximum Langmuir adsorption capacities (q L ) of the adsorbents for Cu(II) were given as CTNC1-1 > CTNC2-1 > CWT. The pseudo-second-order model excellently depicted the kinetic process with good correlation for all adsorbents. The statistical (R-square is more than 0.99) and genetic algorithm (GA) model (R-square is more than 0.99) effectively predicted the percentage removal of Cu(II).

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Section: Resultsmentioning

confidence: 99%

“…A similar process was used by researchers in the past. 20,21,57,58 Variation of generation number with respect to the generation error was described in Figure 16. Table 8 gave the result of GA analysis.…”

Section: F I U R E 1mentioning

confidence: 99%

Synthesis of chitosan‐nTiO₂ nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Bhattacharya

Bar²,

Rajbansi

et al. 2023

Applied Organom Chemis

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Section: Resultsmentioning

confidence: 99%

“…A comparison with other systems used for MG adsorption indicated that the AS adsorbent possessed a high maximum adsorption capacity, indicating a higher affinity between AS and MG than for other systems [44][45][46][47][48][49][50][51][52][53] (Table 3). A comparison with other systems used for MG adsorption indicated that the AS adsorbent possessed a high maximum adsorption capacity, indicating a higher affinity between AS and MG than for other systems [44][45][46][47][48][49][50][51][52][53] (Table 3).…”

Section: Batch Adsorption Studiesmentioning

confidence: 99%

Optimization Conditions of Malachite Green Adsorption onto Almond Shell Carbon Waste Using Process Design

Chouli,

Ezzat,

Sabantina

et al. 2023

Molecules

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Almond shell-based biocarbon is a cheap adsorbent for the removal of malachite green, which has been investigated in this work. FT-IR, DRX, and BET were used to characterize almond shell-based biocarbon. The nitrogen adsorption-desorption isotherms analysis results showed a surface area of 120.21 m2/g and a type H4 adsorption isotherm. The parameters of initial dye concentration (5–600 mg.L−1), adsorbent mass (0.1–0.6 mg), and temperature (298–373 K) of adsorption were investigated. The experiments showed that the almond shell could be used in a wide concentration and temperature range. The adsorption study was fitted to the Langmuir isotherm and the pseudo-second-order kinetic model. The results of the FT-IR analysis demonstrated strong agreement with the pseudo-second-order chemisorption process description. The maximum adsorption capacity was calculated from the Langmuir isotherm and evaluated to be 166.66 mg.g−1. The positive ∆H (12.19 J.mol−1) indicates that the adsorption process is endothermic. Almond shell was found to be a stable adsorbent. Three different statistical design sets of experiments were taken out to determine the best conditions for the batch adsorption process. The optimal conditions for MG uptake were found to be adsorbent mass (m = 0.1 g), initial dye concentration (C0 = 600 mg.L−1), and temperature (T = 25 °C). The analysis using the D-optimal design showed that the model obtained was important and significant, with an R2 of 0.998.

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“…Among several established methods used for organic dye removal, adsorption is preferable as it is low-cost and satisfactory for small and medium-sized industries [12] in thirdworld countries. Although several agricultural and industrial wastes can be used as adsorbents for pollutant removal, [13][14][15] separation, segregation, collection, handling, transportation from the site to the lab and processing of those waste materials involves enormous manual power, considerable time and cost. Moreover, the adsorption efficiency and reusability of those waste materials are not always satisfactory.…”

Section: Introductionmentioning

confidence: 99%

Chitosan‐nTiO₂ Nanocomposite Synthesis and its Adsorptive Removal Capacity for Methylene Blue from its Aqueous Solution: Batch Adsorption Study and Modeling

Bhattacharya,

Bar,

Rajbansi

et al. 2024

ChemistrySelect

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The current work used chitosan (CS)‐nTiO2 nanocomposites (CTNCs) prepared with different CS:nTiO2 mass ratios toward the MB dye removal from an aqueous medium in batch method at variable experimental conditions. The stability and competence of the nanocomposites were checked through characterization by SEM, FTIR, XRD, TGA, and BET. The highest removal of MB was 78 % with the adsorbent CS without nTiO2 (CWT), 94.5 % with CS:nTiO2=1 : 1 weight ratio (CTNC1‐1) and 80 % with CS:nTiO2=2 : 1 weight ratio (CTNC2‐1) with 10 mgL−1of MB and 5 gL−1 adsorbent dosages. The experimental observations obeyed the pseudo‐2nd‐order model, and rate‐limiting steps were film diffusions for CWT, CTNC1‐1 and intraparticle diffusion for CTNC2‐1. Monolayer adsorption was established from the isotherm model. Langmuir adsorption capacities for MB were presented as CTNC1‐1 (qL=34.31)>CTNC2‐1 (qL=32.87)>CWT (qL=21.32). The sorption energy, as derived from Dubinin–Radushkevich isotherm model, showed physisorption for all three adsorbents. The scale‐up design is reported. The statistical (R2>0.98) and GA modeling (R2>0.98) successfully predicted the percentage elimination of MB. Thus, CS‐nTiO2 nanocomposites are prepared as novel and environment‐friendly adsorbents for dye removal.

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Adsorptive removal of toxic malachite green from its aqueous solution by Bambusa vulgaris leaves and its acid-treated form: DFT, MPR and GA modeling

Cited by 20 publications

References 94 publications

Synthesis of chitosan‐nTiO₂ nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Synthesis of chitosan‐nTiO₂ nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Optimization Conditions of Malachite Green Adsorption onto Almond Shell Carbon Waste Using Process Design

Chitosan‐nTiO₂ Nanocomposite Synthesis and its Adsorptive Removal Capacity for Methylene Blue from its Aqueous Solution: Batch Adsorption Study and Modeling

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Adsorptive removal of toxic malachite green from its aqueous solution by Bambusa vulgaris leaves and its acid-treated form: DFT, MPR and GA modeling

Cited by 20 publications

References 94 publications

Synthesis of chitosan‐nTiO2 nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Synthesis of chitosan‐nTiO2 nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Optimization Conditions of Malachite Green Adsorption onto Almond Shell Carbon Waste Using Process Design

Chitosan‐nTiO2 Nanocomposite Synthesis and its Adsorptive Removal Capacity for Methylene Blue from its Aqueous Solution: Batch Adsorption Study and Modeling

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Synthesis of chitosan‐nTiO₂ nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Synthesis of chitosan‐nTiO₂ nanocomposite, application in adsorptive removal of Cu(II)—Adsorption and desorption study, mechanism, scale‐up design, statistical, and genetic algorithm modeling

Chitosan‐nTiO₂ Nanocomposite Synthesis and its Adsorptive Removal Capacity for Methylene Blue from its Aqueous Solution: Batch Adsorption Study and Modeling