Personal Research Database

Full Text: 2011\J Haz Mat186, 1788.pdf

Abstract: The solvents n-pentane, methylene dichloride, ethyl ether and dodecylbenzenesulphonic acid sodium were used to regenerate exhausted activated carbon used in the process of treating coking wastewater, and the efficiency, ability, and optimum conditions of the different solvents on this regeneration were investigated. The results indicate that n-pentane could effectively remove refractory organic compounds in the coking wastewater adsorbed on the surface of activated carbon and could repeatedly regenerate the exhausted activated carbon to recover its adsorption activity. Under the conditions of a regeneration time of 20 min, a regeneration temperature of 25 degrees C, an activated carbon drying time of 300 min, and an activated carbon drying temperature of 150 degrees C, n-pentane had the best regeneration efficiency, at 98.27%, for exhausted activated carbon. Gas chromatography-mass spectrometry analysis results show that the nature of the activated carbon regenerated by organic solvents had no remarkable change in adsorption for the main types of organic compounds in coking wastewater. The good regenerative effect of n-pentane on the activated carbon may be due its stronger desorption of esters embedded within the internal structure of activated carbon. (C) 2010 Elsevier B.V. All rights reserved.

Keywords: Activated Carbon, Adsorption, Analysis, Carbon, Chemical Regeneration, Coking Wastewater, Desorption, Efficiency, Ether, Organic, Organic Compounds, Organic Solvent, Organic Solvents, Regeneration, Rights, Sodium, Spectrometry, Structure, Surface, Temperature, Treatment, Wastewater

? Zhang, X.P., Zhao, X., Hu, J.Q., Wei, C.H. and Bi, H.T. (2011), Adsorption dynamics of trichlorofluoromethane in activated carbon fiber beds. Journal of Hazardous Materials, 186 (2-3), 1816-1822.

Full Text: 2011\J Haz Mat186, 1816.pdf

Abstract: Adsorption on carbon fixed-beds is considered as an inexpensive and highly effective way for controlling chlorofluorocarbons (CFCs) emissions. In the present work, a dynamic model under constant-pattern wave conditions has been developed to predict the breakthrough behavior of trichlorofluoromethane (CFC-11) adsorption in a fixed bed packed with activated carbon fibers (ACFs). The adsorption of CFC-11 vapor onto viscose-based ACFs was performed in a fixed bed at different test conditions. The results showed that, in a deep bed (>120 mm), the analytical model based on the external mass transfer with the Langmuir isotherm could describe the adsorption dynamics well. The model parameters, the characteristic breakthrough time and the film mass-transfer coefficients are related to such operating parameters as the superficial gas velocity, feed concentration and bed height. It was found from the breakthrough dynamics that the mass transfer from the fluid phase to the fiber surface dominated the CFC-11 adsorption onto ACFs in fixed beds. (C) 2010 Elsevier B.V. All rights reserved.

Keywords: ACFS, Activated Carbon, Activated Carbon Fiber, Adsorption, Adsorption Dynamics, Behavior, Breakthrough, Breakthrough Curves, Carbon, Chlorofluorocarbons, Chromatography, Concentration, Dynamic, Dynamic Model, Dynamics, Emissions, Feed, Fibers, Fixed Bed, Fixed-Bed, Isotherm, Kinetics, Langmuir, Langmuir Isotherm, Mass Transfer, Mass-Transfer, Model, Removal, Richlorofluoromethane, Rights, Surface, Wave-Propagation, Work

? Guo, H.M., Li, Y.A., Zhao, K., Ren, Y. and Wei, C. (2011), Removal of arsenite from water by synthetic siderite: Behaviors and mechanisms. Journal of Hazardous Materials, 186 (2-3), 1847-1854.

Full Text: 2011\J Haz Mat186, 1847.pdf

Abstract: Synthetic siderite has been used as adsorbent for As(III) removal in this study. Effects of contact time, temperature, pH, co-existing anions on As(III) adsorption were intensively investigated. Adsorption mechanisms were also studied using the X-ray absorption technique. Results show that the maximum adsorption capacity is up to 9.98 mg g^-1 at 25ºC at a siderite dosage of 2 g L^-1. Adsorption kinetics agrees with the Lagergren pseudo-second order model. Arsenic(III) adsorption can be better described by Langmuir isotherm model for As(III) adsorption at 55ºC, indicating that the coverage of the adsorption sites is in the form of monolayer, although Freundlich isotherm yields a better fit to the experimental data at 25.35 and 45ºC. Thermodynamic study indicates that As(III) adsorption on the synthetic siderite is spontaneous and endothermic in nature. The adsorption capacity is enhanced with the increase in reaction temperature. The adsorption is independent on solution pH between 3.0 and 9.6. The presence of NO₃^-, SO₄^2-, PO₄^3- or SiO₃^2- with element concentrations less than 20 mg L-1 does not have adverse effect on As(III) adsorption. XANES spectra indicate that As mainly occurs as As(V) in the As adsorbed-materials, and the fraction of oxidized As(III) increases with the decrease in As(III) concentration. The formation of Fe hydroxide minerals (such as lepidocrocite and goethite) followed by As(III) oxidiation and adsorption is shown to be the main mechanism of As(III) removal by the synthetic siderite. (C) 2010 Elsevier B.V. All rights reserved.

Keywords: Adsorption, Adsorption Kinetics, Aqueous-Solution, Arsenic, Arsenic(III), As(III), As(III), Freundlich, Freundlich Isotherm, Goethite, Groundwater, Inner-Mongolia, Isotherm, Kinetic, Kinetics, Langmuir, Langmuir Isotherm, Natural Siderite, pH, Red Mud, Removal, Sorption, Thermodynamic, Xanes, Zerovalent Iron

? Xiong, Y., Wang, H.T., Lou, Z.N., Shan, W.J., Xing, Z.Q., Deng, G.C., Wu, D.B., Fang, D.W. and Biswas, B.K. (2011), Selective adsorption of molybdenum(VI) from Mo-Re bearing effluent by chemically modified astringent persimmon. Journal of Hazardous Materials, 186 (2-3), 1855-1861.

Full Text: 2011\J Haz Mat186, 1855.pdf

Abstract: Astringent persimmon was chemically cross-linked by formaldehyde to obtain a novel kind of adsorption gel, which was named as APF gel. The adsorption behaviors of Mo(VI) and Re(VII) along with other coexisting metals onto the APF gel were studied in the present paper. The APF gel was found to be effective for the adsorption of Mo(VI) while the gel is almost completely inert toward rhenium and calcium over the whole hydrochloric acid concentration region. The APF gel has a low affinity for iron, copper, lead, nickel, manganese and zinc ions when the concentration of HCl is higher than 1 mol/L The gel exhibited selectivity only for Mo(VI) with a remarkably high adsorption capacity 1.05 mol/kg, and the adsorption behavior obeys the Langmuir model. According to the thermodynamic and kinetic studies, the endothermic adsorption process followed pseudo-second order kinetics. Also, its excellent adsorption characteristics for Mo(VI) were confirmed by the adsorption and elution tests using a column packed with the APF gel. The result provides a new approach for the recovery of Mo(VI) from a industrial waste effluent. (C) 2010 Elsevier B.V. All rights reserved.

Keywords: Adsorption, Aqueous-Solutions, Catalysts, Copper, Formaldehyde, Hexavalent Chromium, Kinetic, Kinetics, Langmuir, Mechanism, Molybdenum, Nickel, Persimmon, Recovery, Removal, Rhenium, Rhenium, Selective, Separation, Solvent-Extraction, Tannin Gel, Thermodynamic, Waste

? Zhan, Y.H., Lin, J.W. and Zhu, Z.L. (2011), Removal of nitrate from aqueous solution using cetylpyridinium bromide (CPB) modified zeolite as adsorbent. Journal of Hazardous Materials, 186 (2-3), 1972-1978.

Full Text: 2011\J Haz Mat186, 1972.pdf

Abstract: Surfactant modified zeolites (SMZ) with different coverage types were prepared by loading the cetylpyridinium bromide (CPB) onto the surface of the natural zeolites. The adsorption behavior of nitrate on SMZ was investigated. Natural zeolite and SMZ with monolayer CPB coverage were inefficient for the removal of nitrate from aqueous solution. However, SMZ with patchy bilayer or bilayer CPB coverage was efficient in nitrate removal, and the nitrate adsorption capacity of SMZ increased with its CPB loading. For typical SMZ with bilayer CPB coverage, the nitrate adsorption process was well described by the pseudo-second-order kinetic model, and the experimental isotherm data fitted well with the Langmuir, Freundlich and Dubinin-Redushkevich isotherm models. Thermodynamic parameters such as Gibbs free energy change, enthalpy change and entropy change were calculated and the results showed that the adsorption of nitrate on SMZ was spontaneous and exothermic in nature. The presence of competing anions such as chloride, sulfate and bicarbonate ions slightly reduced the nitrate adsorption efficiency. Anionic exchange and electrostatic interaction were proven to be the main mechanisms that govern the adsorption of nitrate on SMZ. (C) 2010 Elsevier B.V. All rights reserved.

Keywords: Adsorption, Adsorption, Cetylpyridinium Bromide (CPB), Chloride, Chromate, Equilibrium, Freundlich, Ions, Isotherm, Kinetic, Kinetic Model, Langmuir, Natural Organic-Matter, Natural Zeolite, Nitrate, Pb(II), Removal, Sorption, Surfactant Modified Zeolite, Surfactant-Modified Zeolite, Thermodynamic, Ultrafiltration, Water

? Wang, J.P., Ma, X.X., Fang, G.Z., Pan, M.F., Ye, X.K. and Wang, S. (2011), Preparation of iminodiacetic acid functionalized multi-walled carbon nanotubes and its application as sorbent for separation and preconcentration of heavy metal ions. Journal of Hazardous Materials, 186 (2-3), 1985-1992.

Full Text: 2011\J Haz Mat186, 1985.pdf

Abstract: In this paper, a novel material was prepared with functionalizing multi-walled carbon nanotubes (MWC-NTs) using iminodiacetic acid (IDA) and characterized by FT-IR. Isotherm and kinetics of adsorption were studied and the experimental data fitted the Langmuir model and pseudo-second-order equation very well. An on-line method for simultaneous determination of trace V (V), Cr(VI), Pb (II), Cd (II), Co (II), Cu(II) and As (III) in biological samples was developed using this material as sorbent coupled with inductively coupled plasma mass spectrometry (ICP-MS). A series of experimental parameters, including sample pH, sample flow rate and loading time, eluting solution and the effect of interfering ions have been investigated systematically. Under the optimum experimental conditions, the enrichment factors for above metal ions were ranged from 66 to 101. Detection limit (3 s) was achieved at 1.3. 1.2, 0.70, 0.40. 2.5. 3.4, 0.79 ng L-1, respectively. At the 1.0 mu g L-1 level, the precision (RSD, %) for 11 replicate measurements was from 1.0 to 4.0. In spiked biological samples, good recoveries (n = 3) were obtained in the range of 90-110%. These results had proved that the proposed method was with good accuracy and could be applied to the analysis of trace metal ions in biological samples. (C) 2011 Elsevier B.V. All rights reserved.

Keywords: Adsorption, Capillary Microextraction, Cr, Elements, Environmental-Samples, Ft-Ir, FTIR, Functionalized Multi-Walled Carbon Nanotubes, Icp-Ms, Isotherm, Kinetics, Langmuir, Metal Ions Analysis, On-Line Solid-Phase Extraction, Pb, pH, Plasma-Mass Spectrometry, Preconcentration, Separation, Solid-Phase Extraction, System, Trace, Vi, Water Samples

? Chen, G.Q., Zhang, W.J., Zeng, G.M., Huang, J.H., Wang, L.A. and Shen, G.L. (2011), Surface-modified Phanerochaete chrysosporium as a biosorbent for Cr(VI)-contaminated wastewater. Journal of Hazardous Materials, 186 (2-3), 2138-2143.

Full Text: 2011\J Haz Mat186, 2138.pdf

Abstract: To improve the removal efficiency of heavy metals from wastewater, the surface of a fungal biomass was modified to obtain a high-capacity biosorbent for Cr(VI) in wastewater. The effects of pH, initial concentration, and sorption time on Cr(VI) removal by polyethylenimine (PEI)-modified Phanerochaete chrysosporium were investigated. The biomass adsorption capacity was significantly dependent on the pH of the solution, and the optimum pH was approximately 3.0. The maximum removal for Cr(VI) was 344.8 mg/g as determined with the Langmuir adsorption isotherm. Pseudo-first-order Lagergren model is better than pseudo-second-order Lagergren model when simulating the kinetic experiment results. Furthermore, an amount of Cr(VI) was reduced to Cr(III), indicating that some reactions occurred on the surface of the biomass leading to the reduction of Cr(V1). The point of zero potential for the modified biomass increased from an initial pH of 3.0 to a much higher value of 10.8, indicating that the PEI-modified biomass is better than the pristine biomass for adsorption of anionic adsorbates. Results showed that the PEI-modified biosorbent presented high efficiency in treating Cr(VI)-contaminated wastewater. (C) 2011 Elsevier B.V. All rights reserved.

Keywords: Adsorption, Adsorption Isotherm, Aqueous-Solution, Biomass, Biosorbent, Biosorption, By-Products, Cr(III), Cr(VI), Cr(VI) Biosorption, Heavy Metals, Heavy-Metals, Hexavalent Chromium, Isotherm, Kinetic, Langmuir, Modification, Mycelial Pellet, pH, Phanerochaete Chrysosporium, Polyethylenimine, Reduction, Removal, Sorption, Wastewater, Wastewaters

? Rivera-Utrilla, J., Sánchez-Polo, M., Gómez-Serrano, V., Álvarez, P.M., Alvim-Ferraz, M.C.M. and Dias, J.M. (2011), Activated carbon modifications to enhance its water treatment applications. An overview. Journal of Hazardous Materials, 187 (1-3), 1-23.

Full Text: 2011\J Haz Mat187, 1.pdf

Abstract: The main objective of this study was to list and compare the advantages and disadvantages of different methodologies to modify the surface of activated carbons (ACs) for their application as adsorbents to remove organic and inorganic pollutants from aqueous phase. These methodologies have been categorized Into four broad groups: oxidation, sulfuration, ammonification, and coordinated ligand anchorage. Numerous investigations into the removal of metals from water have modified carbon surfaces to increase their content of acidic surface functional groups by using H2O2. 03 and HNO3. Because these treatments can reduce the AC surface area, researchers are seeking alternative methods to modify and/or create surface functional groups without the undesirable effect of pore blockage. The nitrogenation or sulfuration of the AC surface can increase its basicity favoring the adsorption of organic compounds. The introduction of nitrogen or sulfur complexes on the carbon surface increases the surface polarity and, therefore, the specific interaction with polar pollutants. Different coordinated ligands have also been used to modify ACs, showing that coordinated ligand anchorage on the AC surface modifies its textural and chemical properties, but research to date has largely focused on the use of these modified materials to remove heavy metals from water by complexes formation. (C) 2011 Elsevier B.V. All rights reserved.

Keywords: Activated Carbon, Activated Carbons, Adsorbents, Adsorption, Adsorptive Properties, Alternative, Application, Aqueous Phase, Aqueous-Solution, Bituminous Coal, Carbon, Chemical, Cherry Stones, Containing Functional-Groups, Functional Groups, H₂O₂, Heavy Metals, Interaction, Investigations, Ligand, Ligands, Mar, Metals, Methodologies, Methods, Modified, Modified Carbon, Nitrogen, Organic, Organic Compounds, Oxidation, Oxidation Treatments, Oxygen-Surface Complexes, Ozone Decomposition, Perchlorate Removal, Pollutants, Removal, Research, Review, Rights, Sulfur, Sulfur Impregnation, Surface, Surface Area, Surface Functional Groups, Surface Treatments, Surfaces, Treatment, Water, Water Treatment

? Tashkhourian, J., Abdoluosofi, L.M., Pakniat, M. and Montazerozohoric, M. (2011), Sodium dodecyl sulfate coated alumina modified with a new Schiff’s base as a uranyl ion selective adsorbent. Journal of Hazardous Materials, 187 (1-3), 75-81.

Full Text: 2011\J Haz Mat187, 75.pdf

Abstract: A simple and selective method was used for the preconcentration and determination of uranium(VI) by solid-phase extraction (SPE). In this method, a column of alumina modified with sodium dodecyl sulfate (SDS) and a new Schiff’s base ligand was prepared for the preconcentration of trace uranyl(VI) from water samples. The uranium(VI) was completely eluted with HCl 2 M and determined by a spectrophotometeric method with Arsenazo(111). The preconcentration steps were studied with regard to experimental parameters such as amount of extractant, type, volume and concentration of eluent, pH, flow rate of sample source and tolerance limit of diverse ions on the recovery of uranyl ion. A preconcentration factor more than 200 was achieved and the average recovery of uranyl(VI) was 99.5%. The relative standard deviation was 1.1% for 10 replicate determinations of uranyl(VI) ion in a solution with a concentration of 5 mu g mL(-1). This method was successfully used for the determination of spiked uranium in natural water samples. (C) 2010 Elsevier B.V. All rights reserved.

Keywords: Uranyl, Schiff’s Base, Solid Phase Extraction, Solid-Phase Extraction, Liquid-Liquid-Extraction, Spectrophotometric Determination, Natural-Waters, Uranium(VI), Spectrometry, Sorbent, Samples

? Mostafa, M.G., Chen, Y.H., Jean, J.S., Liu, C.C. and Lee, Y.C. (2011), Kinetics and mechanism of arsenate removal by nanosized iron oxide-coated perlite. Journal of Hazardous Materials, 187 (1-3), 89-95.

Full Text: 2011\J Haz Mat187, 89.pdf

Abstract: This study discussed the adsorption kinetics of As(V) onto nanosized iron oxide-coated perlite. The effects of pH, initial concentration of As(V) and common anions on the adsorption efficiency were also investigated. It was observed that a 100% As(V) adsorption was achieved at pH value 01 4-8 from the initial concentration containing 1.0 mg-As(V) L^-1 and the adsorption percentage depended on the initial concentration; the phosphate and silicate ions would not interfere with the adsorption efficiency. Furthermore, nanosized iron oxide-coated perlite (IOCP) has been shown to be an effective adsorbent for the removal of arsenate from water. The adsorption kinetics were studied using pseudo-first- and pseudo-second-order models, and the experimental data fitted well with the pseudo-second-order model. Moreover, it suggests that the Langmuir isotherm is more adequate than the Freundlich isotherm in simulating the adsorption isotherm of As(V). The adsorption rate constant is 44.84 L mg^-1 and the maximum adsorption capacity is 0.39 mg g^-1. These findings indicate that the adsorption property of IOCP gives the compound a great potential for applications in environmental remediation. (C) 2011 Elsevier B.V. All rights reserved.

Keywords: Adsorbent, Adsorption, Adsorption, Adsorption Isotherm, Aqueous-Solutions, Arsenate, Arsenite Removal, Carbonate, Drinking-Water, Freundlich, Freundlich Isotherm, Groundwater, Isotherm, Kinetics, Langmuir, Langmuir Isotherm, Metal-Ions, Nanosized Iron Oxide, Perlite, pH, Sand, Sorption

? Du, A.J., Sun, D.D. and Leckie, J.O. (2011), Selective sorption of divalent cations using a high capacity sorbent. Journal of Hazardous Materials, 187 (1-3), 96-100.

Full Text: 2011\J Haz Mat187, 96.pdf

Abstract: This manuscript describes the application of a novel sorbent, sodium titanate nanotube (STN) on partitioning of various divalent cations. Seven divalent cations, from alkaline earth, transition and post-transition groups, were used to determine the capacity and selectivity of STN. At pH 3 +/- 0.02 and 0.1 M ionic strength. STN displayed high capacity for Pb and Cd (1.27 and 0.39 mmol/g, correspondingly). The affinity of divalent cations was in the order Pb >> Cd > Cu > Zn > Ca > Sr > Ni. For six of the tested cations, their sorption capacity can be linearly correlated to its hydrolysis constant and electronegativity. STN has unusually low affinity for Ni and correlations of sorption capacity of Ni falls outside the 95% confidence intervals. Furthermore, it exhibited sorption behavior similar to alkaline earth cations, significant uptakes occurred only when pH > point of zero charge. In competitive sorption tests, STN preferentially sorb Cd over other metals (Zn, Ni. Ca and Sr) which coexist in industrial wastewater. As such STN is a potential novel sorbent useful for partitioning Cd from other metals in industrial wastewater. (C) 2011 Elsevier B.V. All rights reserved.

Keywords: Adsorption, Application, Aqueous-Solution, Behavior, Cadmium, Capacity, Cd, Charge, Competitive, Competitive Sorption, Confidence, Confidence Intervals, Correlations, Cu, Cu(II), Divalent Cations, Hydrolysis, Industrial Wastewater, Intervals, Ion-Exchange, Ionic Strength, Kurbatov Plot, Langmuir Isotherm, Mar, Metal-Ions, Metals, Nanotube, Ni²⁺, Partitioning, Pb, pH, Point of Zero Charge, Potential, Removal, Rights, Selective Sorption, Selectivity, Sodium, Sorbent, Sorption, Sorption Capacity, Strength, Titanate Nanotubes, Wastewater, Water

? Repo, E., Malinen, L., Koivula, R., Harjula, R. and Sillanpaa, M. (2011), Capture of Co(II) from its aqueous EDTA-chelate by DTPA-modified silica gel and chitosan. Journal of Hazardous Materials, 187 (1-3), 122-132.

Full Text: 2011\J Haz Mat187, 122.pdf

Abstract: The adsorption of Co(II) by diethylenetriaminepentaacetic acid (DTPA)-modified silica gel and chitosan in the presence of EDTA and other interfering species was studied. Co(II) removal ranged from 93% to 96% from the solutions where Co(II) was totally chelated by EDTA. The amount of oxalate or Fe(II) did not affect the adsorption of Co(II) in the case of DTPA-chitosan. However, increasing the amount of oxalate enhanced the adsorption performance of DTPA-silica gel, probably due to the formation of new active sites on the silica gel surface. DTPA-chitosan was also effective in simulated decontamination solutions. For DTPA-silica gel, the rate of adsorption of free Co(II) was controlled by pore diffusion, but the rate of adsorption of Co(II)EDTA was controlled by the surface chelation reaction, which was attributed to the inhibited diffusion of Co(II)EDTA inside the silica gel mesopores. However, the macroporous structure of DTPA-chitosan enabled pore diffusion of both Co(II) and Co(II)EDTA. The equilibrium isotherms of DTPA-silica gel were best described by a BiLangmuir model, in which there are two different adsorption sites on the silica gel surface assigned to different speciations of DTPA. For DTPA-chitosan, the data fit best with a Sips model, which indicates system heterogeneity. Finally, measurements with capillary electrophoresis showed an increase in dissolved EDTA during adsorption, demonstrating the ability of DTPA-modified adsorbents to release Co(II) from its EDTA chelate. This promising result can provide a basis for applying the studied materials to the treatment of water effluents containing Co(II) chelated by EDTA by a simple one-step adsorption process. (C) 2011 Elsevier B.V. All rights reserved.

Keywords: Acid, Adsorbents, Adsorption, Adsorption Performance, Agents, Capillary, Capillary Electrophoresis, Chelate, Chelation, Chitosan, Co(II), Co(II) Removal, Complexes, Data, Decontamination, Diffusion, Dissolved, DTPA, EDTA, Effluents, Equilibrium, Equilibrium Isotherms, Gel, Heavy-Metal Ions, Heterogeneity, Hydrogen-Peroxide, Isotherms, Macroporous, Mar, Mechanisms, Model, Performance, pH, Pore Diffusion, Release, Removal, Rights, Silica, Silica Gel, Solutions, Sorption, Species, Structure, Surface, Treatment, Water, Water Treatment

? Appell, M., Jackson, M.A. and Dombrink-Kurtzman, M.A. (2011), Removal of patulin from aqueous solutions by propylthiol functionalized SBA-15. Journal of Hazardous Materials, 187 (1-3), 150-156.

Full Text: 2011\J Haz Mat187, 150.pdf

Abstract: Propylthiol functionalized SBA-15 silica was investigated to detoxify aqueous solutions contaminated with the regulated mycotoxin patulin. Micelle templated silicas with a specific pore size were synthetically modified to possess propylthiol groups, a functional group known to form Michael reaction products with the conjugated double bond system of patulin. BET surface area analysis indicated the propylthiol functionalized SBA-15 possesses channels with the pore size of 5.4 nm and a surface area of 345 m(2) g(-1). Elemental analysis indicates the silicon/sulfur ratio to be 10:1, inferring one propylthiol substituent for every ten silica residues. The propylthiol modified SBA-15 was effective at significantly reducing high levels of patulin from aqueous solutions (pH 7.0) in batch sorption assays at room temperature. The material was less effective at lower pH; however heating low pH solutions and apple juice to 60 degrees C in the presence of propylthiol functionalized SBA-15 significantly reduced the levels of patulin in contaminated samples. Composite molecular models developed by semi-empirical PM3 and empirical force field methods support patulin permeation through the mesoporous channels of propylthiol functionalized SBA-15. Density functional study at the B3LYP/6-31G(d,p) level predicts the proposed patulin adducts formed by reaction with the thiol residues exhibit less electrophilic properties than patulin. It is demonstrated the use of propylthiol functionalized SBA-15 is a viable approach to reduce patulin levels in aqueous solutions, including contaminated apple juice. Published by Elsevier B.V.

Keywords: Activated Carbon, Adsorption, Analysis, Apple Juice, Approach, Aqueous Solutions, Batch, BET, BET Surface Area, Composite, Detoxification, Detoxification, Electrophilic Properties, Field, Field Methods, Force, Functional Group, Functionalized SBA-15, Glutathione Adducts, HPLC, Mar, Mesoporous, Methods, Model, Models, Modified, Molecular Modeling, Mycotoxin, Mycotoxins, Patulin, pH, Removal, Room Temperature, SBA-15, Silica, Silicas, Size, Solutions, Sorption, Support, Surface, Surface Area, Tautomers, Temperature

? Dotto, G.L. and Pinto, L.A.A. (2011), Adsorption of food dyes acid blue 9 and food yellow 3 onto chitosan: Stirring rate effect in kinetics and mechanism. Journal of Hazardous Materials,