• Title/Summary/Keyword: adsorption modeling

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Experimental and Modeling Studies for the Adsorption of Phenol from Water Using Natural and Modified Algerian Clay

  • Djemai, Ismahane;Messaid, Belkacem
    • Korean Chemical Engineering Research
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    • v.58 no.4
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    • pp.624-634
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    • 2020
  • The ability of natural and modified clay to adsorb phenol was studied. The clay samples were analyzed by different technical instruments, such as X-ray fluorescence (XRF), X-ray diffraction (XRD) and FT-IR spectroscopy. Surface area, pore volume and average pore diameter were also determined using B.E.T method. Up to 73 and 99% of phenol was successfully adsorbed by natural and activated clay, respectively, from the aqueous solution. The experiments carried out show that the time required to reach the equilibrium of phenol adsorption on all the samples is very close to 60 min. The amount of phenol adsorbed shows a declining trend with higher pH as well as with lower pH, with most extreme elimination of phenol at pH 4. The adsorption of phenol increases proportionally with the initial phenol concentration. The maximum adsorption capacity at 25 ℃ and pH 4 was 29.661 mg/g for modified clay (NaMt). However, the effect of temperature on phenol adsorption was not significant. The simple modification causes the formation of smaller pores in the solid particles, resulting in a higher surface area of NaMt. The equilibrium results in aqueous systems were well fitted by the Freundlich isotherm equation (R2 > 0.98). Kinetic studies showed that the adsorption process is best described by the pseudo-second-order kinetics (R2 > 0.99). The adsorption of phenol on natural and modified clay was spontaneous and exothermal.

Adsorption-Desorption Modeling of Pollutants on Granular Activated Carbon (오염물질에 대한 입상 활성탄의 흡·탈착 모델링)

  • Wang, Chang Keun;Weber, Walter J. Jr.
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.13 no.2
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    • pp.279-285
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    • 1993
  • It is important to understand the interrelationship between adsorption, equilibrium and mass transport in efficient design and operation of the granular activated carbon(GAC) adsorption systems. In this study, the micro-diameter-depth adsorption system(MIDDAS) technique was developed to estimate equilibrium and mass transport parameters, which were utilized to simulate adsorption and mass transport phenomena dynamically and mathematically. The homogeneous surface diffusion model(HSDM) utilizing the estimated equilibrium and mass transport parameters including the film transfer coefficients and surface diffusivities from the MIDDAS technique, successfully predicted competitive adsorption, desorption and chromatographic displacement effects. In the binary solute system of p-chlorophenol(PCP) and p-nitrophenol(PNP), PCP was displaced by PNP and the HSDM could predict successfully. While the HSDM described the desorption breakthrough curves for PCP, PNP and PTS well when complete reversible adsorption was assumed, the desorption breakthrough curves for DBS could be predicted after subsequent incorporation of the degree of irreversibility into the model simulations.

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Evaluation of refused tea waste activated carbon for color removal: Equilibrium and kinetic studies

  • Wijetunga, Somasiri;Gunasekara, Chathurika DFA
    • Advances in environmental research
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    • v.6 no.1
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    • pp.1-14
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    • 2017
  • New technologies or improvement of the existing technologies are required to enhance the efficiency of removal of pollutants from wastewater. In this study we attempted to produce and test the activated carbon produced from the refused tea waste for the removal of dyes from wastewater. The objectives of this investigation were to produce activated carbon from refused tea waste by chemical activation, evaluate its performance for the removal of color produced from Acid Yellow 36, and the modeling of its dye removal with the kinetic study. The activation was performed in two steps namely carbonization at $375{\pm}25^{\circ}C$ and chemical activation with HCl at $800^{\circ}C$ under the absence of Oxygen. Adsorption isotherms and kinetic studies were performed with a textile dye, Acid Yellow 36, at different concentrations (20-80 mg/L). The maximum dye removal (~90%) observed at 80 mg/L dye concentration and it reduced at low dye concentrations. Maximum adsorption (71.97 mg/g) was recorded at 96 h at $29{\pm}1^{\circ}C$. Low pH increased the dye adsorption (pH=2; 78.27 mg/g) while adsorption reduced at high pH levels indicating that the competition occurs in between OH- ions and AY36 molecules for the adsorption sites in RTAC. The Langmuir isotherm model clearly explained the dye adsorption, favorably, by RTAC. Moreover, kinetic studied performed showed that the pseudo second order kinetic model clearly describes the dye adsorption. Based on the results obtained in this study, it can be concluded that RTAC can be used for the removal of textile dyes.

Transport of Urea in Waterlogged Soil Column: Experimental Evidence and Modeling Approach Using WAVE Model

  • Yoo, Sun-Ho;Park, Jung-Geun;Lee, Sang-Mo;Han, Gwang-Hyun;Han, Kyung-Hwa
    • Journal of Applied Biological Chemistry
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    • v.43 no.1
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    • pp.25-30
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    • 2000
  • The main form of nitrogen fertilizer applied to lowland rice is urea, but little is known about its transport in waterlogged soil. This study was conducted to investigate the transport of urea in waterlogged soil column using WAVE (simulation of the substances Water and Agrochemicals in the soil, crop and Vadose Environment) model which includes the parameters for urea adsorption and hydrolysis, The adsorption distribution coefficient and hydrolysis rate of urea were measured by batch experiments. A transport experiment was carried out with the soil column which was pre-incubated for 45 days under flooded condition. The urea hydrolysis rate (k) was $0.073h^{-1}$. Only 5% of the applied urea remained in soil column at 4 days after urea application. The distribution coefficient ($K_d$) of urea calculated from adsorption isotherm was $0.21Lkg^{-1}$, so it was assumed that urea that urea was a weak-adsorbing material. The maximum concentration of urea was appeared at the convective water front because transport of mobile and weak-adsorbing chemicals, such as urea, is dependent on water convective flow. The urea moved down to 11 cm depth only for 2 days after application, so there is a possibility that unhydrolyzed urea could move out of the root zone and not be available for crops. A simulated urea concentration distribution in waterlogged soil column using WAVE model was slightly different from the measured concentration distribution. This difference resulted from the same hydrolysis rate applied to all soil depths and overestimated hydrodynamic dispersion coefficient. In spite of these limitations, the transport of urea in waterlogged soil column could be predict with WAVE model using urea hydrolysis rate (k) and distribution coefficient ($K_d$) which could be measured easily from a batch experiment.

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Surface Complexation of Cationic Metal Adsorption Onto Amorphous Aluminum Oxide (무정형 알루미늄 산화물에 의한 양이온 중금속의 표면착화)

  • Park, Youn-Jong;Yang, Jae-Kyu;Choi, Sang-Il
    • Journal of Soil and Groundwater Environment
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    • v.13 no.1
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    • pp.101-109
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    • 2008
  • The adsorption characteristics of cationic metals such as copper, cadmium, and lead onto the amorphous aluminum oxide, AMA-L, which was mineralized from raw sanding powder at $550^{\circ}C$ were investigated. Additionally, surface complexation reaction of cationic heavy metals onto AMA-L was simulated with MINEQL + software employing a diffuse layer model. From the batch adsorption tests in a single element system, the adsorption affinity of each metal ion onto AMA-L was following order: lead > copper > cadmium. In a binary system composed with copper and cadmium, quite a similar adsorption affinity was observed in each metal ion compared to the single element system. When the surface complexation constants obtained in the single system were used in the prediction of experimental adsorption results, model predictions were well fitted with experimental results of both single and binary systems.

Adsorption of Mercury(II) Chloride and Carbon Dioxide on Graphene/Calcium Oxide (0 0 1)

  • Mananghaya, Michael;Yu, Dennis;Santos, Gil Nonato;Rodulfo, Emmanuel
    • Korean Journal of Materials Research
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    • v.26 no.6
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    • pp.298-305
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    • 2016
  • In this work, recent progress on graphene/metal oxide composites as advanced materials for $HgCl_2$ and $CO_2$ capture was investigated. Density Functional Theory calculations were used to understand the effects of temperature on the adsorption ability of $HgCl_2$ and water vapor on $CO_2$ adsorption on CaO (001) with reinforced carbon-based nanostructures using B3LYP functional. Understanding the mechanism by which mercury and $CO_2$ adsorb on graphene/CaO (g-CaO) is crucial to the design and fabrication of effective capture technologies. The results obtained from the optimized geometries and frequencies of the proposed cluster site structures predicted that with respect to molecular binding the system possesses unusually large $HgCl_2$ ($0.1-0.4HgCl_2g/g$ sorbent) and $CO_2$ ($0.2-0.6CO_2g/g$ sorbent) uptake capacities. The $HgCl_2$ and $CO_2$ were found to be stable on the surface as a result of the topology and a strong interaction with the g-CaO system; these results strongly suggest the potential of CaO-doped carbon materials for $HgCl_2$ and $CO_2$ capture applications, the functional gives reliable answers compared to available experimental data.

Predictive Modeling of Competitive Biosorption Equilibrium Data

  • Chu K.H.;Kim E.Y.
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.11 no.1
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    • pp.67-71
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    • 2006
  • This paper compares regression and neural network modeling approaches to predict competitive biosorption equilibrium data. The regression approach is based on the fitting of modified Langmuir-type isotherm models to experimental data. Neural networks, on the other hand, are non-parametric statistical estimators capable of identifying patterns in data and correlations between input and output. Our results show that the neural network approach outperforms traditional regression-based modeling in correlating and predicting the simultaneous uptake of copper and cadmium by a microbial biosorbent. The neural network is capable of accurately predicting unseen data when provided with limited amounts of data for training. Because neural networks are purely data-driven models, they are more suitable for obtaining accurate predictions than for probing the physical nature of the biosorption process.

Modeling and Simulation of Simultaneous Saccharification and Fermentation of Paper Mill Sludge to Lactic Acid

  • LIN, JIAN-QIANG;LEE, SANG-MOK;KOO, YOON-MO
    • Journal of Microbiology and Biotechnology
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    • v.15 no.1
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    • pp.40-47
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    • 2005
  • Modeling and simulation for simultaneous saccharification and fermentation (SSF) process in bioconversion of paper mill sludge to lactic acid was carried out. The SSF process combined the enzymatic hydrolysis of paper mill sludge into glucose and the fermentation of glucose into lactic acid in one reactor. A mathematical modeling for cellulose hydrolysis was developed, based on the proposed mechanism of cellulase adsorption deactivation. Another model for simple lactic acid fermentation was also made. A whole mathematical model for SSF was developed by combining the above two models for cellulose hydrolysis and lactic acid fermentation. The characteristics of the SSF process were investigated using the mathematical model.

Mathematical modeling to simulate the adsorption and internalization of copper in two freshwater algae species, Pseudokirchneriella subcapitata and Chlorella vulgaris

  • Kim, Yongeun;Lee, Minyoung;Hong, Jinsol;Cho, Kijong
    • Korean Journal of Environmental Biology
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    • v.39 no.3
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    • pp.298-310
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    • 2021
  • Prediction of the behavior of heavy metals over time is important to evaluate the heavy metal toxicity in algae species. Various modeling studies have been well established, but there is a need for an improved model for predicting the chronic effects of metals on algae species to combine the metal kinetics and biological response of algal cells. In this study, a kinetic dynamics model was developed to predict the copper behavior(5 ㎍ L-1, 10 ㎍ L-1, and 15 ㎍ L-1) for two freshwater algae (Pseudokirchneriella subcapitata and Chlorella vulgaris) in the chronic exposure experiments (8 d and 21 d). In the experimental observations, the rapid change in copper mass between the solutions, extracellular and intracellular sites occurred within initial exposure periods, and then it was slower although the algal density changed with time. Our model showed a good agreement with the measured copper mass in each part for all tested conditions with an elapsed time (R2 for P. subcapitata: 0.928, R2 for C. vulgaris: 0.943). This study provides a novel kinetic dynamics model that is compromised between practical simplicity and realistic complexity, and it can be used to investigate the chronic effects of heavy metals on the algal population.