Mathematical modeling and numerical simulation of sulfamethoxazole adsorption onto sugarcane bagasse in a fixed-bed column

Juela, Diego M.; Vera, Mayra; Cruzat, Christian; Alvarez, Ximena; Vanegas, Eulalia

doi:10.1016/j.chemosphere.2021.130687

Cited by 36 publications

(6 citation statements)

References 54 publications

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“…The breakthrough curves via time and pore volume (PV) are presented in Figure 9a-f, respectively. For all the flow rate, the breakthrough curves have a large 'S' shape which is similar to other research results [29,41,42]. As the flow rate increased (Figure 9a-c), the breakthrough curve became steeper because the shorter retention time provides insufficient time for adsorption [29].…”

Section: Effect Of Flow Rate For As Removal Via Model Analysissupporting

confidence: 87%

Adsorption of As and Pb by Stone Powder/Chitosan/Maghemite Composite Beads (SCM Beads): Kinetics and Column Study

Song

2023

Processes

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Adsorption kinetics of As and Pb onto composite beads synthesized with stone powder, chitosan, and maghemite (SCM beads) with weight ratio of 1:1:0.5 were investigated in batch mode. Several kinetic models such as pseudo-first order kinetic model (PFOKM), pseudo-second order kinetic model (PSOKM), two compartment first order kinetic model (TCFOKM), and modified two compartment first order kinetic model (MTCFOKM) were utilized to analyze the kinetics. Although the beads had low specific surface area and pore volume, MTCFOKM, one of two compartment models, could predict the most accurately because the As and Pb were adsorbed onto at least two kinds of adsorption sites such as functional groups in chitosan and Fe in maghemite. In MTCFOKM, both the fast adsorption fraction (f1’) and the fast adsorption constant (k1’) for Pb were higher than those for As. Therefore, the equilibrium time (teq) for Pb adsorption was shorter than that for As adsorption, indicating that Pb adsorption was more affinitive than As adsorption onto SCM beads (especially maghemite). Column study with a bed column reactor packed with the SCM beads was also conducted. For column study, the effect of flow rate and pore volume on removal efficiency of As and Pb was also investigated. Three models such as the Thomas, Adams-Bohart (A-B), and Yoon-Nelson (Y-N) models were used to fit the column experimental data to analyze the breakthrough curves and the saturation time. Both Thomas and Y-N models were most appropriate. Conclusively, the SCM beads are suitable for adsorption treatment of As and Pb from contaminated groundwater and are particularly effective in Pb removal.

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Section: Effect Of Flow Rate For As Removal Via Model Analysissupporting

confidence: 87%

Adsorption of As and Pb by Stone Powder/Chitosan/Maghemite Composite Beads (SCM Beads): Kinetics and Column Study

Song

2023

Processes

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“…The Gompertz model describes the characteristic asymmetry of breakthrough curves; although the equation is used by several areas, it has attracted few attention as a modeling tool in adsorption research studies. , The Gompertz model differs from the others, such as the Thomas and the Yoon–Nelson models, for being able to correlate asymmetric breakthrough curves; however, its disadvantage is that the parameters do not provide valuable information about the adsorption process since the equation initially was developed to explain the human mortality curve . However, its parameters can provide relevant information regarding the operating conditions of the fixed-bed column, thus being adequate for practical purposes . The model is shown in eq . C C 0 = exp [ − exp false( α normalG − β normalG t false) ] where α G and β G (1/min) are the Gompertz constants and t (min) is the time process.…”

Section: Breakthrough Curve Modelsmentioning

confidence: 99%

Bayesian Computational Technique for Modeling Caffeine Adsorption in a Fixed-Bed Column: Use of the Maximum Adsorption Capacity Deterministically and Experimental Design

Oliveira

Arsufi

Estumano

et al. 2023

Ind. Eng. Chem. Res.

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This work applied a Bayesian computational technique for parameter estimation of adsorption breakthrough curve models with experimental data of caffeine (CAF) adsorption onto granular activated carbon (GAC). Different operational conditions were evaluated (volumetric flow: Q, adsorbent mass: W, and initial CAF concentration: C 0) by a two-level factorial experimental design (23) to determine the best operational conditions. The models (Thomas, Yoon–Nelson, Yan, Clark, Gompertz, and Log-Gompertz) were fitted to the experimental data, estimating and not estimating the maximum adsorption capacity (q S). For model selection, five statistical metrics were calculated. The results showed that the proposed Bayesian technique, not estimating q S, was effective and all analyzed operational conditions obtained 95% of CAF removal. In the best condition, when q S reached 7.317 mgCAF/gGAC, the model that best adjusted the experimental data was Log-Gompertz, being suitable for practical approaches, and for its mechanisms, the Clark model best predicted the evaluated fixed-bed column.

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“…According to the Gompertz and Log-Gompertz models used for practical approaches, ,,, it is seen from the results obtained in Tables – that the Gompertz model had better adjustments for all three solids. This was also observed by de Oliveira et al…”

Section: Results and Discussionmentioning

confidence: 93%

“…According to the Gompertz and Log-Gompertz models used for practical approaches, 25,26,42,43 it is seen from the results obtained in Tables 7−12 that the Gompertz model had better adjustments for all three solids. This was also observed by de Oliveira et al 25 The parameters of the Gompertz model show that with an increase of the phosphate initial concentration, the value of α G also increases, while the value of β G decreases (with C i = 15 mg L −1 , a α G = 3.05, and β G = 0.33 to C i = 60 mg L −1 , a α G = 3.21, and β G = 0.27), with the other operational conditions remaining fixed (Q and W); for the adsorbent mass, applied in the column bed, it is seen that the values of α G and β G decreased (with W = 0.5 g, a α G = 4.75, and β G = 0.39 to W = 3.0 g, a α G = 2.45, and β G = 0.19), with the other operational conditions remaining fixed (C i and Q); and for the volumetric flow rate, a higher value decreases both parameters α G and β G (with Q = 10 mL min −1 , a α G = 3.21, and β G = 0.27 to Q = 2.5 mL min −1 , a α G = 4.75, and β G = 0.39), with the other operational conditions remaining fixed (C i and W).…”

Section: Thomas Yanmentioning

confidence: 97%

Analytical Perspective and Modeling of Breakthrough Curves for a Fixed-Bed Column of Modified Dolomite by Calcination and Ultrasound for Phosphate Immobilization: Experimental Design, Bayesian Statistics, and Data Prediction

Jurado-Davila,

Toffoli de Oliveira,

Féris

2023

Ind. Eng. Chem. Res.

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In this work, phosphate removal was evaluated through a fixed-bed column. Experiments were carried out using three different adsorbents: raw dolomite (RD), calcined dolomite (CD), and ultrasound-modified dolomite (UD). An experimental design, Bayesian statistics, and data prediction were performed by modeling the breakthrough curves to study the efficiency of the process. To optimize the experimental process, the effects of initial phosphate concentration (15−60 mg L −1 ), adsorbent mass (0.5−3 g), and feed-flow rate (2.5−10 mL min −1 ) on saturation time and saturation concentration were studied. The results showed that the breakthrough curves' behavior for removing phosphate was similar for the solids tested. The Yoon−Nelson model represented better the mechanisms of the breakthrough curves for RD and UD, while for the CD, the Clark model had a better adjustment and the method could predict the breakthrough curves. Besides, UD was the most adequate adsorbent, resulting in better adsorption capacities. The best operational conditions for phosphate removal in UD were C i = 60 mg L −1 , W = 0.5 g, and Q = 10 mL min −1 , which resulted in 14.38 mg g −1 adsorption capacity and t sat = 25 min, with a superior value of q max of around 408.13% when compared with the lowest process time of the solid (2.83 mg g −1 with t sat = 17.5 min). Finally, the Gompertz model shows that intermediate values of α G and β G (around α G = 3.21 and β G = 0.27) increased the q max (14.38 mg g −1 ). It can be used for practical approaches, e.g., in the implementation of this process on an industrial scale.

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Mathematical modeling and numerical simulation of sulfamethoxazole adsorption onto sugarcane bagasse in a fixed-bed column

Cited by 36 publications

References 54 publications

Adsorption of As and Pb by Stone Powder/Chitosan/Maghemite Composite Beads (SCM Beads): Kinetics and Column Study

Adsorption of As and Pb by Stone Powder/Chitosan/Maghemite Composite Beads (SCM Beads): Kinetics and Column Study

Bayesian Computational Technique for Modeling Caffeine Adsorption in a Fixed-Bed Column: Use of the Maximum Adsorption Capacity Deterministically and Experimental Design

Analytical Perspective and Modeling of Breakthrough Curves for a Fixed-Bed Column of Modified Dolomite by Calcination and Ultrasound for Phosphate Immobilization: Experimental Design, Bayesian Statistics, and Data Prediction

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