Search results for: water vapor adsorption
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9319

Search results for: water vapor adsorption

8959 The High Efficiency of Cationic Azo Dye Removal Using Raw, Purified and Pillared Clay from Algerian Clay

Authors: Amina Ramdani, Abdelkader Kadeche, Zoubida Taleb, Safia Taleb

Abstract:

The aim of this present study is to evaluate the adsorption capacity of a dye, Malachite green, on a local Algerian montmorillonite clay mineral (raw, purified and Cr-pillared). Various parameters influencing the dye adsorption process ie contact time, adsorbent dose, initial concentration of dye, pH of the solution and temperature. Cr pillared clay has been obtained with a better surface character than purified and natural clay. An increase in basal spacing from 12.45 Å (Mont-Na) to 22.88 Å (Mont-PLCr), surface area from 67 m2 /g (Mont-Na) to 102 m2 /g (Mont-PLCr). The experimental results show that the dye adsorption kinetic were fast: 5 min for Cr-pillared clay mineral, and 30 min for raw and purified clay mineral (RC and Mont-Na). The removal efficiency on Mont-PLCr (98.64%) is greater than that of Mont-Na (86.20%) and RC (82.09%). The acidity and basicity of the medium considerably affect the adsorption of the dye. It attained its maximum at pH 4.8. The equilibrium and kinetic data were found to fit well the Langmuir model and the pseudo-second-order model.

Keywords: Dye removal, pillared clay, isotherm, kinetic

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8958 Adsorption of Xylene Cyanol FF onto Activated Carbon from Brachystegia Eurycoma Seed Hulls: Determination of the Optimal Conditions by Statistical Design of Experiments

Authors: F. G Okibe, C. E Gimba, V. O Ajibola, I. G Ndukwe, E. D. Paul

Abstract:

A full factorial experimental design technique at two levels and four factors (24) was used to optimize the adsorption at 615 nm of Xylene Cyanol ff in aqueous solutions onto activated carbon prepared from brachystegia eurycoma seed hulls by chemical carbonization method. The effect of pH (3 and 5), initial dye concentration (20 and 60 mg/l), adsorbent dosage (0.01 and 0.05 g), and contact time (30 and 60 min) on removal efficiency of the adsorbent for the dye were investigated at 298K. From the analysis of variance, response surface and cube plot, adsorbent dosage was observed to be the most significant factor affecting the adsorption process. However, from the interaction between the variables studied, the optimum removal efficiency was 96.80 % achieved with adsorbent dosage of 0.05 g, contact time 45 minutes, pH 3, and initial dye concentration 60 mg/l.

Keywords: factorial experimental design, adsorption, optimization, brachystegia eurycoma, xylene cyanol ff

Procedia PDF Downloads 395
8957 Photocatalytic Degradation of Lead from Aqueous Solution Using TiO2 as Adsorbent

Authors: Navven Desai, Veena Soraganvi

Abstract:

Heavy metals such as lead, cadmium and mercury do not have biological significance hence they are known to be extremely toxic heavy metals. Water contains various heavy metals like Cadmium (Cd), Chromium (Cr), Copper (Cu), Nickel (Ni), Arsenic (As), Lead (Pb), and Zinc (Zn) etc., when it gets polluted with industrial waste water. These heavy metals cause various health effects even at low concentration when consumed by humans. Most of the heavy metals are poisonous to living organisms. Heavy metals are non-degradable and are preserved in the environment through bioaccumulation. Therefore removal of heavy metals from water is necessary. In recent years, a great deal of attentions has been focused on to the application of nanosized metal oxides to treat heavy metals, especially titanium oxides, ferric oxides, manganese oxides, aluminium oxides and magnesium oxides as adsorbent and photocatalyst. TiO2 based photocatalysts have attracted continuously increasing attention because of the excellent properties such as high light -conversion efficiency, chemical stability, nontoxic nature, low cost. The catalyst displays high photocatalytic activity because of its large surface area. In this study, the photocatalytic degradation of Lead (Pb) from aqueous solution was investigated in natural sunlight by using TiO2 as Nanomaterial. This study was performed at laboratory scale. All the experiments were carried out in the batch process. The concentration of lead was constant (25mg/lit) in the experiment and effect of titanium dioxide dose and pH were varied to study the removal efficiency of the lead by adsorption. Further study was performed on the dependence of photocatalytic reaction on the reaction temperature. The aqueous solution was prepared by Lead metal powder. TiO2 photo catalyst nanopowder used was Sisco-74629 grade. The heavy metal is analyzed with VARIAN AA 240 atomic adsorption spectrophotometer. The study shows, with increasing TiO2 dose and pH the lead removal increases. According to study, it can be concluded that the utilization of titanium dioxide accounted for higher efficiency in the removal of lead from aqueous solution.

Keywords: adsorption, heavy metals, nanomaterial, photocatalysis

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8956 Adsorption of Methyl Violet Dye from Aqueous Solution onto Modified Kapok Sawdust : Characteristics and Equilibrium Studies

Authors: Widi Astuti, Triastuti Sulistyaningsih, Masni Maksiola

Abstract:

Kapok sawdust, an inexpensive material, has been utilized as an adsorbent for the removal of methyl violet in aqueous solution. To increase the adsorption capacity, kapok sawdust was reacted with sodium hydroxide (NaOH) solution having various concentrations. Various physico-chemical parameters such as solution pH, contact time and initial dye concentration were studied. Langmuir, Freundlich and Redlich-Peterson isotherm model were used to analyze the equilibrium data. The research shows that the experimental data fitted well with the Redlich-Peterson model, with the value of constants are 41.001 for KR, 0.523 for aR and 0.799 for g.

Keywords: kapok sawdust, methyl violet, dye, adsorption

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8955 Synthesis and Properties of Chitosan-Graft-Polyacrylamide/Gelatin Superabsorbent Composites for Wastewater Purification

Authors: Hafida Ferfera-Harrar, Nacera Aiouaz, Nassima Dairi

Abstract:

Super absorbents polymers received much attention and are used in many fields because of their superior characters to traditional absorbents, e.g., sponge and cotton. So, it is very important but challenging to prepare highly and fast-swelling super absorbents. A reliable, efficient and low-cost technique for removing heavy metal ions from waste water is the adsorption using bio-adsorbents obtained from biological materials, such as polysaccharides-based hydrogels super absorbents. In this study, novel multi-functional super absorbent composites type semi-interpenetrating polymer networks (Semi-IPNs) were prepared via graft polymerization of acrylamide onto chitosan backbone in presence of gelatin, CTS-g-PAAm/Ge, using potassium persulfate and N,N’ -methylenebisacrylamide as initiator and cross linker, respectively. These hydrogels were also partially hydrolyzed to achieve superabsorbents with ampholytic properties and uppermost swelling capacity. The formation of the grafted network was evidenced by Fourier Transform Infrared Spectroscopy (ATR-FTIR) and thermo gravimetric Analysis (TGA). The porous structures were observed by Scanning Electron Microscope (SEM). From TGA analysis, it was concluded that the incorporation of the Ge in the CTS-g-PAAm network has marginally affected its thermal stability. The effect of gelatin content on the swelling capacities of these super absorbent composites was examined in various media (distilled water, saline and pH-solutions).The water absorbency was enhanced by adding Ge in the network, where the optimum value was reached at 2 wt. % of Ge. Their hydrolysis has not only greatly optimized their absorption capacity but also improved the swelling kinetic. These materials have also showed reswelling ability. We believe that these super-absorbing materials would be very effective for the adsorption of harmful metal ions from waste water.

Keywords: chitosan, gelatin, superabsorbent, water absorbency

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8954 Preparation of Composite Alginate/Perlite Beads for Pb (II) Removal in Aqueous Solution

Authors: Hasan Türe, Kader Terzioglu, Evren Tunca

Abstract:

Contamination of aqueous environment by heavy metal ions is a serious and complex problem, owing to their hazards to human being and ecological systems. The treatment methods utilized for removing metal ions from aqueous solution include membrane separation, ion exchange and chemical precipitation. However, these methods are limited by high operational cost. Recently, biobased beads are considered as promising biosorbent to remove heavy metal ions from water. The aim of present study was to characterize the alginate/perlite composite beads and to investigate the adsorption performance of obtained beads for removing Pb (II) from aqueous solution. Alginate beads were synthesized by ionic gelation methods and different amount of perlite (aljinate:perlite=1, 2, 3, 4, 5 wt./wt.) was incorporated into alginate beads. Samples were characterized by means of X-ray diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscopy (SEM). The effects of perlite level, the initial concentration of Pb (II), initial pH value of Pb(II) solution and effect of contact time on the adsorption capacity of beads were investigated by using batch method. XRD analysis indicated that perlite includes silicon or silicon and aluminum bearing crystalline phase. The diffraction pattern of perlite containing beads is similar to that of that perlite powder with reduced intensity. SEM analysis revealed that perlite was embedded into alginate polymer and SEM-EDX (Energy-Dispersive X-ray) showed that composite beads (aljinate:perlite=1) composed of C (41.93 wt.%,), O (43.64 wt.%), Na (10.20 wt.%), Al (0.74 wt.%), Si (2.72 wt.%) ve K (0.77 wt.%). According to TGA analysis, incorporation of perlite into beads significantly improved the thermal stability of the samples. Batch experiment indicated that optimum pH value for Pb (II) adsorption was found at pH=7 with 1 hour contact time. It was also found that the adsorption capacity of beads decreased with increases in perlite concentration. The results implied that alginate/perlite composite beads could be used as promising adsorbents for the removal of Pb (II) from wastewater. Acknowledgement: This study was supported by TUBITAK (Project No: 214Z146).

Keywords: alginate, adsorption, beads, perlite

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8953 Comfort Evaluation of Summer Knitted Clothes of Tencel and Cotton Fabrics

Authors: Mona Mohamed Shawkt Ragab, Heba Mohamed Darwish

Abstract:

Context: Comfort properties of garments are crucial for the wearer, and with the increasing demand for cotton fabric, there is a need to explore alternative fabrics that can offer similar or superior comfort properties. This study focuses on comparing the comfort properties of tencel/cotton single jersey fabric and cotton single jersey fabric, with the aim of identifying fabrics that are more suitable for summer clothes. Research Aim: The aim of this study is to evaluate the comfort properties of tencel/cotton single jersey fabric and cotton single jersey fabric, with the goal of identifying fabrics that can serve as alternatives to cotton, considering their comfort properties for summer clothing. Methodology: An experimental, analytical approach was employed in this study. Two circular knitting machines were used to produce the fabrics, one with a 24 inches gauge and the other with a 28 inches gauge. Both fabrics were knitted with three different loop lengths (3.05 mm, 2.9 mm, and 2.6 mm) to obtain loose, medium, and tight fabrics for evaluation. Various comfort properties, including air permeability, water vapor permeability, wickability, and thermal resistance, were measured for both fabric types. Findings: The study found a significant difference in comfort properties between tencel/cotton single jersey fabric and cotton single jersey fabric. Tencel/cotton fabric exhibited higher air permeability, water vapor permeability, and wickability compared to cotton fabric. These findings suggest that tencel fabric is more suitable for summer clothes due to its superior ventilation and absorption properties. Theoretical Importance: This study contributes to the exploration of alternative fabrics to cotton by evaluating their comfort properties. By identifying fabrics that offer better comfort properties than cotton, particularly in terms of water usage, the study provides valuable insights into sustainable fabric choices for the fashion industry. Data Collection and Analysis Procedures: The comfort properties of the fabrics were measured using appropriate testing methods. Paired comparison t-tests were conducted to determine the significant differences between tencel/cotton fabric and cotton fabric in the measured properties. Correlation coefficients were also calculated to examine the relationships between the factors under study. Question Addressed: The study addresses the question of whether tencel/cotton single jersey fabric can serve as an alternative to cotton fabric for summer clothes, considering their comfort properties. Conclusion: The study concludes that tencel/cotton single jersey fabric offers superior comfort properties compared to cotton single jersey fabric, making it a suitable alternative for summer clothes. The findings also highlight the importance of considering fabric properties, such as air permeability, water vapor permeability, and wickability, when selecting materials for garments to enhance wearer comfort. This research contributes to the search for sustainable alternatives to cotton and provides valuable insights for the fashion industry in making informed fabric choices.

Keywords: comfort properties, cotton fabric, tencel fabric, single jersey

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8952 Water Vapor Oxidization of NiO for a Hole Transport Layer in All Inorganic QD-LED

Authors: Jaeun Park, Daekyoung Kim, Ho Kyoon Chung, Heeyeop Chae

Abstract:

Quantum dots light-emitting diodes (QD-LEDs) have been considered as the next generation display and lighting devices due to their excellent color purity, photo-stability solution process possibility and good device stability. Currently typical quantum dot light emitting diodes contain organic layers such as PEDOT:PSS and PVK for charge transport layers. To make quantum dot light emitting diodes (QD-LED) more stable, it is required to replace those acidic and relatively unstable organic charge transport layers with inorganic materials. Therefore all inorganic and solution processed quantum dot light emitting diodes can potentially be a solution to stable and cost-effective display devices. We studied solution processed NiO films to replace organic charge transport layers that are required for stable all-inorganic based light emitting diodes. The transition metal oxides can be made by various vacuum and solution processes, but the solution processes are considered more cost-effective than vacuum processes. In this work we investigated solution processed NiOx for a hole transport layer (HTL). NiOx, has valence band energy levels of 5.3eV and they are easy to make sol-gel solutions. Water vapor oxidation process was developed and applied to solution processed all-inorganic QD-LED. Turn-on voltage, luminance and current efficiency of QD in this work were 5V, 1800Cd/m2 and 0.5Cd/A, respectively.

Keywords: QD-LED, metal oxide solution, NiO, all-inorganic QD-LED device

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8951 Valorization of Argan Residuals for the Treatment of Industrial Effluents

Authors: Salim Ahmed

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The aim of this study was to recover a natural residue in the form of activated carbon prepared from Moroccan "argan pits and date pits" plant waste. After preparing the raw material for manufacture, the carbon was carbonised at 300°C and chemically activated with phosphoric acid of purity 85. The various characterisation results (moisture and ash content, specific surface area, pore volume, etc.) showed that the carbons obtained are comparable to those manufactured industrially and could therefore be tested, for example, in water treatment processes and especially for the depollution of effluents used in the agri-food and textile industries.

Keywords: activated carbon, water treatment, adsorption, argan

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8950 Adsorption Kinetics and Equilibria at an Air-Liquid Interface of Biosurfactant and Synthetic Surfactant

Authors: Sagheer A. Onaizi

Abstract:

The adsorption of anionic biosurfactant (surfactin) and anionic synthetic surfactant (sodium dodecylbenzenesulphonate, abbreviated as SDOBS) from phosphate buffer containing high concentrations of co- and counter-ions to the air-buffer interface has been investigated. The self-assembly of the two surfactants at the interface has been monitored through dynamic surface tension measurements. The equilibrium surface pressure-surfactant concentration data in the premicellar region were regressed using Gibbs adsorption equation. The predicted surface saturations for SDOBS and surfactin are and, respectively. The occupied area per an SDOBS molecule at the interface saturation condition is while that occupied by a surfactin molecule is. The surface saturations reported in this work for both surfactants are in a very good agreement with those obtained using expensive techniques such as neutron reflectometry, suggesting that the surface tension measurements coupled with appropriate theoretical analysis could provide useful information comparable to those obtained using highly sophisticated techniques.

Keywords: adsorption, air-liquid interface, biosurfactant, surface tension

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8949 Simulation Study on Effects of Surfactant Properties on Surfactant Enhanced Oil Recovery from Fractured Reservoirs

Authors: Xiaoqian Cheng, Jon Kleppe, Ole Torsaeter

Abstract:

One objective of this work is to analyze the effects of surfactant properties (viscosity, concentration, and adsorption) on surfactant enhanced oil recovery at laboratory scale. The other objective is to obtain the functional relationships between surfactant properties and the ultimate oil recovery and oil recovery rate. A core is cut into two parts from the middle to imitate the matrix with a horizontal fracture. An injector and a producer are at the left and right sides of the fracture separately. The middle slice of the core is used as the model in this paper, whose size is 4cm x 0.1cm x 4.1cm, and the space of the fracture in the middle is 0.1 cm. The original properties of matrix, brine, oil in the base case are from Ekofisk Field. The properties of surfactant are from literature. Eclipse is used as the simulator. The results are followings: 1) The viscosity of surfactant solution has a positive linear relationship with surfactant oil recovery time. And the relationship between viscosity and oil production rate is an inverse function. The viscosity of surfactant solution has no obvious effect on ultimate oil recovery. Since most of the surfactant has no big effect on viscosity of brine, the viscosity of surfactant solution is not a key parameter of surfactant screening for surfactant flooding in fractured reservoirs. 2) The increase of surfactant concentration results a decrease of oil recovery rate and an increase of ultimate oil recovery. However, there are no functions could describe the relationships. Study on economy should be conducted because of the price of surfactant and oil. 3) In the study of surfactant adsorption, assume that the matrix wettability is changed to water-wet when the surfactant adsorption is to the maximum at all cases. And the ratio of surfactant adsorption and surfactant concentration (Cads/Csurf) is used to estimate the functional relationship. The results show that the relationship between ultimate oil recovery and Cads/Csurf is a logarithmic function. The oil production rate has a positive linear relationship with exp(Cads/Csurf). The work here could be used as a reference for the surfactant screening of surfactant enhanced oil recovery from fractured reservoirs. And the functional relationships between surfactant properties and the oil recovery rate and ultimate oil recovery help to improve upscaling methods.

Keywords: fractured reservoirs, surfactant adsorption, surfactant concentration, surfactant EOR, surfactant viscosity

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8948 Neural Network Based Compressor Flow Estimator in an Aircraft Vapor Cycle System

Authors: Justin Reverdi, Sixin Zhang, Serge Gratton, Said Aoues, Thomas Pellegrini

Abstract:

In Vapor Cycle Systems, the flow sensor plays a key role in different monitoring and control purposes. However, physical sensors can be expensive, inaccurate, heavy, cumbersome, or highly sensitive to vibrations, which is especially problematic when embedded into an aircraft. The conception of a virtual sensor based on other standard sensors is a good alternative. In this paper, a data-driven model using a Convolutional Neural Network is proposed to estimate the flow of the compressor. To fit the model to our dataset, we tested different loss functions. We show in our application that a Dynamic Time Warping based loss function called DILATE leads to better dynamical performance than the vanilla mean squared error (MSE) loss function. DILATE allows choosing a trade-off between static and dynamic performance.

Keywords: deep learning, dynamic time warping, vapor cycle system, virtual sensor

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8947 Adsorption of Phosphate from Aqueous Solution Using Filter Cake for Urban Wastewater Treatment

Authors: Girmaye Abebe, Brook Lemma

Abstract:

Adsorption of phosphorus (P as PO43-) in filter cake was studied to assess the media's capability in removing phosphorous from wastewaters. The composition of the filter cake that was generated from alum manufacturing process as waste residue has high amount of silicate from the complete silicate analysis of the experiment. Series of batches adsorption experiments were carried out to evaluate parameters that influence the adsorption capacity of PO43-. The factors studied include the effect of contact time, adsorbent dose, thermal pretreatment of the adsorbent, neutralization of the adsorbent, initial PO43- concentration, pH of the solution and effect of co-existing anions. Results showed that adsorption of PO43- is fairly rapid in first 5 min and after that it increases slowly to reach the equilibrium in about 1 h. The treatment efficiency of PO43- was increased with adsorbent extent. About 90% removal efficiency was increased within 1 h at an optimum adsorbent dose of 10 g/L for initial PO43- concentration of 10 mg/L. The amount of PO43- adsorbed increased with increasing initial PO43- concentration. Heat treatment and surface neutralization of the adsorbent did not improve the PO43- removal capacity and efficiency. The percentage of PO43- removal remains nearly constant within the pH range of 3-8. The adsorption data at ambient pH were well fitted to the Langmuir Isotherm and Dubinin–Radushkevick (D–R) isotherm model with a capacity of 25.84 and 157.55 mg/g of the adsorbent respectively. The adsorption kinetic was found to follow a pseudo-second-order rate equation with an average rate constant of 3.76 g.min−1.mg−1. The presence of bicarbonate or carbonate at higher concentrations (10–1000 mg/L) decreased the PO43- removal efficiency slightly while other anions (Cl-, SO42-, and NO3-) have no significant effect within the concentration range tested. The overall result shows that the filter cake is an efficient PO43- removing adsorbent against many parameters.

Keywords: wastewater, filter cake, adsorption capacity, phosphate (PO43-)

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8946 Development of Bioplastic Disposable Food Packaging from Starch and Cellulose

Authors: Lidya Hailu, Ramesh Duraisamy, Masood Akhtar Khan, Belete Yilma

Abstract:

Disposable food packaging is a single-use plastics that can include any disposable plastic item which could be designed and use only once. In this context, this study aimed to prepare and evaluate bioplastic food packaging material from avocado seed starch and sugarcane bagasse cellulose and to characterise avocado seed starch. Performed the physicomechanical, structural, thermal properties, and biodegradability of raw materials and readily prepared bioplastic using the universal tensile testing machine, FTIR, UV-Vis spectroscopy, TGA, XRD, and SEM. Results have shown that an increasing amount of glycerol (3-5 mL) resulted in increases in water absorption, density, water vapor permeability, and elongation at the break of prepared bioplastic. However, it causes decreases in % transmittance, thermal degradation, and the tensile strength of prepared bioplastic. Likewise, the addition of cellulose fiber (0-15 %) increases % transmittance ranged (91.34±0.12-63.03±0.05 %), density (0.93±0.04-1.27±0.02 g/cm3), thermal degradation (310.01-321.61°C), tensile strength (2.91±6.18-4.21±6.713 MPa) of prepared bioplastic. On the other hand, it causes decreases in water absorption (14.4±0.25-9.40±0.007 %), water vapor permeability (9.306x10-12±0.3-3.57x10-12±0.15 g•s−1•m−1•Pa−1) and elongation at break (34.46±3.37-27.63±5.67 %) of prepared bioplastic. All the readily prepared bioplastic films rapidly degraded in the soil in the first 6 days and decompose within 12 days with a diminutive leftover and completely degraded within 15 days under an open soil atmosphere. Studied results showed starch derived bioplastic reinforced with 15 % cellulose fiber that plasticized with 3 mL of glycerol had improved results than other combinations of glycerol and bagasse cellulose with avocado seed starch. Thus, biodegradable disposable food packaging cup has been successfully produced in the lab-scale level using the studied approach. Biodegradable disposable food packaging materials have been successfully produced by employing avocado seed starch and sugarcane bagasse cellulose. The future study should be done on nano scale production since this study was done at the micro level.

Keywords: avocado seed, food packaging, glycerol, sugarcane bagasse

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8945 Adsorption of Phenolic Compounds on Activated Carbon DSAC36-24

Authors: Khaoula Hidouri, Ali Benhmidene, Bechir Chouachi, Dhananjay R. Mishra, Ammar Houas

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Activated carbon DSAC36-24 iy is adsorbent materials, characterized by a specific surface area of 548.13 m²g⁻¹. Their manufacture uses the natural raw materials like the nucleus of dates. In this study the treatment is done in two stages: A chemical treatment by H3PO4 followed by a physical treatment under nitrogen for 1 hour then under stream of CO2 for 24 hours. A characterization of the various parameters was determined such as the measurement of the specific surface area, determination of pHPZC, bulk density, iodine value. The study of the adsorption of organic molecules (hydroquinone, paranitrophenol, 2,4-dinitrophenol, 2,4,6-trinitrophenol) indicates that the adsorption phenomena are essentially due to the van der Waals interaction. In the case of organic molecules carrying the polar substituents, the existence of hydrogen bonds is also proved by the donor-acceptor forces. The study of the pH effect was done with modeling by different models (Langmuir, Freundlich, Langmuir-Freundlich, Redlich-Peterson), a kinetic treatment is also followed by the application of Lagergren, Weber, Macky.

Keywords: adsoprtion ishoterms, adsorption kinetics, DSAC36-24, organic molecule

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8944 Removal of Lead Ions from Aqueous Medium Using Devised Column Filters Packed with Chitosan from Trash Crab Shells: A Characterization Study

Authors: Charles Klein O. Gorit, Mark Tristan J. Quimque Jr., M. Cecilia V. Almeda, Concepcion M. Salvana

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Chitosan is a promising biopolymer commonly found in crustacean shells that has plausible effects in water purification and wastewater treatment. It is a primary derivative of chitin and considered second of the most abundant biopolymer prior to cellulose. Morphological analysis had been done using Scanning Electron Microscopy with Energy Dispersive Microscopy (SEM/EDS), and due to its porous nature, it showcases a certain degree of porosity, hence, larger adsorption site of heavy metal. The Energy Dispersive Spectroscopy of the chitosan and ‘lead-bound’ chitosan, shows a relative increase of percent abundance of lead cation from 1.44% to 2.08% hence, adsorption occurs. Chitosan, as a nitrogenous polysaccharide, subjected to Fourier transform infrared spectroscopy (FTIR) analysis shows amide bands ranging from 1635.36 cm⁻¹ for amide 1 band and 1558.40 cm-1 for amide 2 band with NH stretching. For ‘lead-bound’ chitosan, the FT-IR analysis shows a change in peaks upon adsorption of Pb(II) cation. The spectrum shows broadening of OH and NH stretching band. Such observation can be attributed to the probability that the attachment of Pb(II) ions is in these functional groups. A column filter was devised with lead-bound chitosan to determine the zero point charge (pHzpc) of the biopolymer. The results show that at pH 8.34, below than the zpc level of literatures cited for lead which ranges from pH 4 to 7, favors the adsorption site of chitosan and its capability to adsorb traces amount of aqueous lead.

Keywords: chitosan, biopolymer, FT-IR, SEM, zero-point charge, heavy metal, lead ions

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8943 Influence of Synergistic Modification with Tung Oil and Heat Treatment on Physicochemical Properties of Wood

Authors: Luxi He, Tianfang Zhang, Zhengbin He, Songlin Yi

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Heat treatment has been widely recognized for its effectiveness in enhancing the physicochemical properties of wood, including hygroscopicity and dimensional stability. Nonetheless, the non-negligible volumetric shrinkage and loss of mechanical strength resulting from heat treatment may diminish the wood recovery and its product value. In this study, tung oil was used to alleviate heat-induced shrinkage and reduction in mechanical properties of wood during heat treatment. Tung oil was chosen as a modifier because it is a traditional Chinese plant oil that has been widely used for over a thousand years to protect wooden furniture and buildings due to its biodegradable and non-toxic properties. The effects of different heating media (air, tung oil) and their effective treatment parameters (temperature, duration) on the changes in the physical properties (morphological characteristics, pore structures, micromechanical properties), and chemical properties (chemical structures, chemical composition) of wood were investigated by using scanning electron microscopy, confocal laser scanning microscopy, atomic force microscopy, X-ray photoelectron spectroscopy, and dynamic vapor sorption. Meanwhile, the correlation between the mass changes and the color change, volumetric shrinkage, and hygroscopicity was also investigated. The results showed that the thermal degradation of wood cell wall components was the most important factor contributing to the changes in heat-induced shrinkage, color, and moisture adsorption of wood. In air-heat-treated wood samples, there was a significant correlation between mass change and heat-induced shrinkage, brightness, and moisture adsorption. However, the presence of impregnated tung oil in oil-heat-treated wood appears to disrupt these correlations among physical properties. The results of micromechanical properties demonstrated a significant decrease in elastic modulus following high-temperature heat treatment, which was mitigated by tung oil treatment. Chemical structure and compositional analyses indicated that the changes in chemical structure primarily stem from the degradation of hemicellulose and cellulose, and the presence of tung oil created an oxygen-insulating environment that slowed down this degradation process. Morphological observation results showed that tung oil permeated the wood structure and penetrated the cell walls through transportation channels, altering the micro-morphology of the cell wall surface, obstructing primary water passages (e.g., vessels and pits), and impeding the release of volatile degradation products as well as the infiltration and diffusion of water. In summary, tung oil treatment represents an environmentally friendly and efficient method for maximizing wood recovery and increasing product value. This approach holds significant potential for industrial applications in wood heat treatment.

Keywords: tung oil, heat treatment, physicochemical properties, wood cell walls

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8942 Synthesis of Magnetic Plastic Waste-Reduced Graphene Oxide Composite and Its Application in Dye Adsorption from Aqueous Solution

Authors: Pamphile Ndagijimana, Xuejiao Liu, Zhiwei Li, Yin Wang

Abstract:

The valorization of plastic wastes, as a mitigation strategy, is attracting the researchers’ attention since these wastes have raised serious environmental concerns. Plastic wastes have been reported to adsorb the organic pollutants in the water environment and to be the main vector of those pollutants in the aquatic environment, especially dyes, as a serious water pollution concern. Recycling technologies of plastic wastes such as landfills, incineration, and energy recovery have been adopted to manage those wastes before getting exposed to the environment. However, they are far from being widely accepted due to their related environmental pollution, lack of space for the landfill as well as high cost. Therefore, modification is necessary for green plastic adsorbent in water applications. Current routes for plastic modification into adsorbents are based on the combustion method, but they have weaknesses of air pollution as well as high cost. Thus, the green strategy for plastic modification into adsorbents is highly required. Furthermore, recent researchers recommended that if plastic wastes are combined with other solid carbon materials, they could promote their application in water treatment. Herein, we present new insight into using plastic waste-based materials as future green adsorbents. Magnetic plastic-reduced graphene oxide (MPrGO) composite was synthesized by cross-linking method and applied in removing methylene blue (MB) from an aqueous solution. Furthermore, the following advantages have been achieved: (i) The density of plastic and reduced graphene oxide were enhanced, (ii) no second pollution of black color in solution, (iii) small amount of graphene oxide (1%) was linked on 10g of plastic waste, and the composite presented the high removal efficiency, (iv) easy recovery of adsorbent from water. The low concentration of MB (10-30mg/L) was all removed by 0.3g of MPrGO. Different characterization techniques such as XRD, SEM, FTIR, BET, XPS, and Raman spectroscopy were performed, and the results confirmed a conjugation between plastic waste and graphene oxide. This MPrGO composite presented a good prospect for the valorization of plastic waste, and it is a promising composite material in water treatment.

Keywords: plastic waste, graphene oxide, dye, adsorption

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8941 Evaluation of Lead II Adsorption in Porous Structures Manufactured from Chitosan, Hydroxiapatite and Moringa

Authors: Mishell Vaca, Gema Gonzales, Francisco Quiroz

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Heavy metals present in wastewater constitute a danger for living beings in general. In Ecuador, one of the sources of contamination is artisanal mining whose liquid effluents, in many of the cases without prior treatment, are discharged to the surrounding rivers. Lead is a pollutant that accumulated in the body causes severe health effects. Nowadays, there are several treatment methods to reduce this pollutant. The aim of this study is to reduce the concentration of lead II through the use of a porous material formed by a matrix of chitosan, in which hydroxyapatite and moringa particles smaller than 53 um are suspended. These materials are not toxic to the environment, and each one adsorbs metals independently, so the synergic effect between them will be evaluated. The synthesized material has a cylindrical design that allows increasing the surface area, which is expected to have greater capacity of adsorption. It has been determined that the best conditions for its preparation are to dissolve the chitosan in 1% v/v acetic acid with a pH = 5, then the hydroxyapatite and moringa are added to the mixture with magnetic stirring. This suspension is frozen, lyophilized and finally dried. In order to evaluate the performance of the synthesized material, synthetic solutions of lead are prepared at different concentrations, and the percentage of removal is evaluated. It is expected to have an effluent whose lead content is less than 0.2 mg/L which is the limit maximum allowable according to established environmental standards.

Keywords: adsorption, chitosan, hydroxyapatite, lead, moringa, water treatment

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8940 Adsorption-desorption Behavior of Weak Polyelectrolytes Deposition on Aminolyzed-PLA Non-woven

Authors: Sima Shakoorjavan, Dawid Stawski, Somaye Akbari

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In this study, the adsorption-desorption behavior of poly(amidoamine) (PAMAM) as a polycation and poly (acrylic acid) (PAA) as a polyanion deposited on aminolyzed-PLA nonwoven through layer-by-layer technique (lbl) was studied. The adsorption-desorption behavior was monitored by UV adsorbance spectroscopy and turbidity tests of the waste polyelectrolytes after each deposition. Also, the drying between each deposition step was performed to study the effect of drying on adsorption-desorption behavior. According to UV adsorbance spectroscopy of the waste polyelectrolyte after each deposition, it was revealed that drying has a great effect on the deposition behavior of the next layer. Regarding the deposition of the second layer, drying caused more desorption and removal of the previously deposited layer since the turbidity and the absorbance of the waste increased in comparison to pure polyelectrolyte. To deposit the third layer, the same scenario occurred and drying caused more removal of the previously deposited layer. However, the deposition of the fourth layer drying after the deposition of the third layer did not affect the adsorption-desorption behavior. Since the adsorbance and turbidity of the samples that were dried and those that were not dried were the same. As a result, it seemed that deposition of the fourth layer could be the starting point where lbl reached its constant state. The decrease in adsorbance and remaining turbidity of the waste same as a pure polyelectrolyte can indicate that most portion of the polyelectrolyte was adsorbed onto the substrate rather than complex formation in the bath as the subsequence of the previous layer removal.

Keywords: Adsorption-desorption behavior, lbl technique, poly(amidoamine), poly (acrylic acid), weak polyelectrolytes

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8939 Study of the Adsorptives Properties of Zeolites X Exchanged by the Cations Cu2 + and/or Zn2+

Authors: H. Hammoudi, S. Bendenia, I. Batonneau-Gener, A. Khelifa

Abstract:

Applying growing zeolites is due to their intrinsic physicochemical properties: a porous structure, regular, generating a large free volume, a high specific surface area, acidic properties of interest to the origin of their activity, selectivity energy and dimensional, leading to a screening phenomenon, hence the name of molecular sieves is generally attributed to them. Most of the special properties of zeolites have been valued as direct applications such as ion exchange, adsorption, separation and catalysis. Due to their crystalline structure stable, their large pore volume and their high content of cation X zeolites are widely used in the process of adsorption and separation. The acidic properties of zeolites X and interesting selectivity conferred on them their porous structure is also have potential catalysts. The study presented in this manuscript is devoted to the chemical modification of an X zeolite by cation exchange. Ion exchange of zeolite NaX by Zn 2 + cations and / or Cu 2 + is gradually conducted by following the evolution of some of its characteristics: crystallinity by XRD, micropore volume by nitrogen adsorption. Once characterized, the different samples will be used for the adsorption of propane and propylene. Particular attention is paid thereafter, on the modeling of adsorption isotherms. In this vein, various equations of adsorption isotherms and localized mobile, some taking into account the adsorbate-adsorbate interactions, are used to describe the experimental isotherms. We also used the Toth equation, a mathematical model with three parameters whose adjustment requires nonlinear regression. The last part is dedicated to the study of acid properties of Cu (x) X, Zn (x) X and CuZn (x) X, with the adsorption-desorption of pyridine followed by IR. The effect of substitution at different rates of Na + by Cu2 + cations and / or Zn 2 +, on the crystallinity and on the textural properties was treated. Some results on the morphology of the crystallites and the thermal effects during a temperature rise, obtained by scanning electron microscopy and DTA-TGA thermal analyzer, respectively, are also reported. The acidity of our different samples was also studied. Thus, the nature and strength of each type of acidity are estimated. The evaluation of these various features will provide a comparison between Cu (x) X, Zn (x) X and CuZn (x) X. One study on adsorption of C3H8 and C3H6 in NaX, Cu (x) X , Zn (x) x and CuZn (x) x has been undertaken.

Keywords: adsorption, acidity, ion exchange, zeolite

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8938 Mixed Alumina-Silicate Materials for Groundwater Remediation

Authors: Ziyad Abunada, Abir Al-tabbaa

Abstract:

The current work is investigating the effectiveness of combined mixed materials mainly modified bentonites and organoclay in treating contaminated groundwater. Sodium bentonite was manufactured with a quaternary amine surfactant, dimethyl ammonium chloride to produce organoclay (OC). Inorgano-organo bentonite (IOB) was produced by intercalating alkylbenzyd-methyl-ammonium chloride surfactant into sodium bentonite and pillared with chlorohydrol pillaring agent. The materials efficiency was tested for both TEX compounds from model-contaminated water and a mixture of organic contaminants found in groundwater samples collected from a contaminated site in the United Kingdom. The sorption data was fitted well to both Langmuir and Freundlich adsorption models reflecting the double sorption model where the correlation coefficient was greater than 0.89 for all materials. The mixed materials showed higher sorptive capacity than individual material with a preference order of X> E> T and a maximum sorptive capacity of 21.8 mg/g was reported for IOB-OC materials for o-xylene. The mixed materials showed at least two times higher affinity towards a mixture of organic contaminants in groundwater samples. Other experimental parameters such as pH and contact time were also investigated. The pseudo-second-order rate equation was able to provide the best description of adsorption kinetics.

Keywords: modified bentobite, groundwater, adsorption, contaminats

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8937 Removal of Pb(II) Ions from Wastewater Using Magnetic Chitosan–Ethylene Glycol Diglycidyl Ether Beads as Adsorbent

Authors: Pyar Singh Jassal, Priti Rani, Rajni Johar

Abstract:

The adsorption of Pb(II) ions from wastewater using ethylene glycol diglycidyl ether cross-linked magnetic chitosan beads (EGDE-MCB) was carried out by considering a number of parameters. The removal efficiency of the metal ion by magnetic chitosan beads (MCB) and its cross-linked derivatives depended on viz contact time, dose of the adsorbent, pH, temperature, etc. The concentration of Cd( II) at different time intervals was estimated by differential pulse anodic stripping voltammetry (DPSAV) using 797 voltametric analyzer computrace. The adsorption data could be well interpreted by Langmuir and Freundlich adsorption model. The equilibrium parameter, RL values, support that the adsorption (0Keywords: magnetic chitosan beads, ethylene glycol diglycidyl ether, equilibrium parameters, desorption

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8936 Modification of a Natural Zeolite with a Short-Chain Quaternary Ammonium Salt in an Ultrasonication Process and Investigation of Its Ability to Eliminate Nitrate Ions: Characterization and Mechanism Study

Authors: Nona Mirzamohammadi, Bahram Nasernejad

Abstract:

This work mainly focuses on studying the mechanism governing the adsorption of tetraethylammonium bromide, a short-chain quaternary ammonium salt, on the surface of natural zeolite and to characterize modified and raw zeolites in order to study the removal of nitrate anions from water. Natural clinoptilolite, as the most common zeolite, was chosen and modified in an ultrasonication process using tetraethylammonium bromide, subsequent to being contacted with NaCl solutions. FT-IR studies indicated a peak attributed to the stretching vibrations of the –CH₂ group in the molecule of tetraethylammonium bromide in the spectrum of the modified sample. Moreover, the SEM images showed some obvious changes in the surface morphology and crystallinity of clinoptilolite after being modified. Batch adsorption experiments show that the modified zeolite is capable of removing nitrate anions, and the predominant removal mechanism is suggested to be a combination of electrostatic attraction and ion exchange since the results from the zeta potential analysis showed a decrease in the net negative charge of clinoptilolite after modification, while bromide ions were detected in the modified sample in the µXRF analysis.

Keywords: adsorption, clinoptilolite, short-chain quaternary ammonium salt, tetraethylammoniumbromide, ultrasonication

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8935 Numerical Analysis of Laminar Reflux Condensation from Gas-Vapour Mixtures in Vertical Parallel Plate Channels

Authors: Foad Hassaninejadafarahani, Scott Ormiston

Abstract:

Reflux condensation occurs in a vertical channels and tubes when there is an upward core flow of vapor (or gas-vapor mixture) and a downward flow of the liquid film. The understanding of this condensation configuration is crucial in the design of reflux condensers, distillation columns, and in loss-of-coolant safety analyses in nuclear power plant steam generators. The unique feature of this flow is the upward flow of the vapor-gas mixture (or pure vapor) that retards the liquid flow via shear at the liquid-mixture interface. The present model solves the full, elliptic governing equations in both the film and the gas-vapor core flow. The computational mesh is non-orthogonal and adapts dynamically the phase interface, thus produces sharp and accurate interface. Shear forces and heat and mass transfer at the interface are accounted for fundamentally. This modeling is a big step ahead of current capabilities by removing the limitations of previous reflux condensation models which inherently cannot account for the detailed local balances of shear, mass, and heat transfer at the interface. Discretisation has been done based on a finite volume method and a co-located variable storage scheme. An in-house computer code was developed to implement the numerical solution scheme. Detailed results are presented for laminar reflux condensation from steam-air mixtures flowing in vertical parallel plate channels. The results include velocity and pressure profiles, as well as axial variations of film thickness, Nusselt number and interface gas mass fraction.

Keywords: Reflux, Condensation, CFD-Two Phase, Nusselt number

Procedia PDF Downloads 358
8934 An Experimental Investigation on Explosive Phase Change of Liquefied Propane During a Bleve Event

Authors: Frederic Heymes, Michael Albrecht Birk, Roland Eyssette

Abstract:

Boiling Liquid Expanding Vapor Explosion (BLEVE) has been a well know industrial accident for over 6 decades now, and yet it is still poorly predicted and avoided. BLEVE is created when a vessel containing a pressure liquefied gas (PLG) is engulfed in a fire until the tank rupture. At this time, the pressure drops suddenly, leading the liquid to be in a superheated state. The vapor expansion and the violent boiling of the liquid produce several shock waves. This works aimed at understanding the contribution of vapor ad liquid phases in the overpressure generation in the near field. An experimental work was undertaken at a small scale to reproduce realistic BLEVE explosions. Key parameters were controlled through the experiments, such as failure pressure, fluid mass in the vessel, and weakened length of the vessel. Thirty-four propane BLEVEs were then performed to collect data on scenarios similar to common industrial cases. The aerial overpressure was recorded all around the vessel, and also the internal pressure changed during the explosion and ground loading under the vessel. Several high-speed cameras were used to see the vessel explosion and the blast creation by shadowgraph. Results highlight how the pressure field is anisotropic around the cylindrical vessel and highlights a strong dependency between vapor content and maximum overpressure from the lead shock. The time chronology of events reveals that the vapor phase is the main contributor to the aerial overpressure peak. A prediction model is built upon this assumption. Secondary flow patterns are observed after the lead. A theory on how the second shock observed in experiments forms is exposed thanks to an analogy with numerical simulation. The phase change dynamics are also discussed thanks to a window in the vessel. Ground loading measurements are finally presented and discussed to give insight into the order of magnitude of the force.

Keywords: phase change, superheated state, explosion, vapor expansion, blast, shock wave, pressure liquefied gas

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8933 Kinetics, Equilibrium and Thermodynamic Studies on Adsorption of Reactive Blue 29 from Aqueous Solution Using Activated Tamarind Kernel Powder

Authors: E. D. Paul, A. D. Adams, O. Sunmonu, U. S. Ishiaku

Abstract:

Activated tamarind kernel powder (ATKP) was prepared from tamarind fruit (Tamarindus indica), and utilized for the removal of Reactive Blue 29 (RB29) from its aqueous solution. The powder was activated using 4N nitric acid (HNO₃). The adsorbent was characterised using infrared spectroscopy, bulk density, ash content, pH, moisture content and dry matter content measurements. The effect of various parameters which include; temperature, pH, adsorbent dosage, ion concentration, and contact time were studied. Four different equilibrium isotherm models were tested on the experimental data, but the Temkin isotherm model was best-fitted into the experimental data. The pseudo-first order and pseudo-second-order kinetic models were also fitted into the graphs, but pseudo-second order was best fitted to the experimental data. The thermodynamic parameters showed that the adsorption of Reactive Blue 29 onto activated tamarind kernel powder is a physical process, feasible and spontaneous, exothermic in nature and there is decreased randomness at the solid/solution interphase during the adsorption process. Therefore, activated tamarind kernel powder has proven to be a very good adsorbent for the removal of Reactive Blue 29 dyes from industrial waste water.

Keywords: tamarind kernel powder, reactive blue 29, isotherms, kinetics

Procedia PDF Downloads 243
8932 Treatment of Acid Mine Lake by Ultrasonically Modified Fly Ash at Different Frequencies

Authors: Burcu Ileri, Deniz Sanliyuksel Yucel, Onder Ayyildiz

Abstract:

The oxidation of pyrite in water results in the formation of acid mine drainage, which typically forms extremely acid mine lake (AML) in the depression areas of abandoned Etili open-pit coal mine site, Northwest Turkey. Nine acid mine lakes of various sizes have been located in the Etili coal mine site. Hayirtepe AML is one of the oldest lake having a mean pH value of 2.9 and conductivity of 4550 μS/cm, and containing elevated concentrations of Al, B, Ba, Ca, Cd, Co, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, and Zn. The water quality of the lake has been deteriorated due to its high chemical composition, in particular, increasing heavy metal pollution. In this study, fly ash (FA), a coal combustion by-product from fluidized bed thermal power plant in the northwestern part of Turkey, was used as an adsorbent for the treatment of Hayirtepe AML. The FA is a relatively abundant and cost effective material, but its use in adsorption processes usually require excessive adsorbent doses. To increase adsorption efficiency and lower the adsorbent dose, we modified the FA by means of ultrasonic treatment (20 kHz and 40 kHz). The images of scanning electron microscopy (SEM) have demonstrated that ultrasonic treatment not only decreased the size of ash particles but also created pits and cracks on their surfaces which in turn led to a significant increase in the BET surface area. Both FA and modified fly ash were later tested for the removal of heavy metals from the AML. The effect of various operating parameters such as ultrasonic power, pH, ash dose, and adsorption contact time were examined to obtain the optimum conditions for the treatment process. The results have demonstrated that removal of heavy metals by ultrasound-modified fly ash requires much shorter treatment times and lower adsorbent doses than those attained by the unmodified fly ash. This research was financially supported by the Scientific and Technological Research Council of Turkey (TUBITAK), (Project no: 116Y510).

Keywords: acid mine lake, heavy metal, modified fly ash, ultrasonic treatment

Procedia PDF Downloads 194
8931 Synthesis and Characterization of Cellulose-Based Halloysite-Carbon Adsorbent

Authors: Laura Frydel, Piotr M. Slomkiewicz, Beata Szczepanik

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Triclosan has been used as a disinfectant in many medical products, such as: hand disinfectant soaps, creams, mouthwashes, pastes and household cleaners. Due to its strong antimicrobial activity, triclosan is becoming more and more popular and the consumption of disinfectants with triclosan in it is increasing. As a result, this compound increasingly finds its way into waters and soils in an unchanged form, pollutes the environment and may have a negative effect on organisms. The aim of this study was to investigate the synthesis of cellulose-based halloysite-carbon adsorbent and perform its characterization. The template in the halloysite-carbon adsorbent was halloysite nanotubes and the carbon precursor was microcrystalline cellulose. Scanning electron microscope (SEM) images were obtained and the elementary composition (qualitative and quantitative) of the sample was determined by energy dispersion spectroscopy (EDS). The identification of the crystallographic composition of the halloysite nanotubes and the sample of the halloysite-carbon composite was carried out using the X-ray powder diffraction (XRPD) method. The FTIR spectra were acquired before and after the adsorption process in order to determine the functional groups on the adsorbent surface and confirm the interactions between adsorbent and adsorbate molecules. The parameters of the porous structure of the adsorbent, such as the specific surface area (Brunauer-Emmett-Teller method), the total pore volume and the volume of mesopores and micropores were determined. Total carbon and total organic carbon were also determined in the samples. A cellulose-based halloysite-carbon adsorbent was used to remove triclosan from water. The degree of removal of triclosan from water was approximately 90%. The results indicate that the halloysite-carbon composite can be successfully used as an effective adsorbent for removing triclosan from water.

Keywords: Adsorption, cellulose, halloysite, triclosan

Procedia PDF Downloads 124
8930 Quantum Chemical Investigation of Hydrogen Isotopes Adsorption on Metal Ion Functionalized Linde Type A and Faujasite Type Zeolites

Authors: Gayathri Devi V, Aravamudan Kannan, Amit Sircar

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In the inner fuel cycle system of a nuclear fusion reactor, the Hydrogen Isotopes Removal System (HIRS) plays a pivoted role. It enables the effective extraction of the hydrogen isotopes from the breeder purge gas which helps to maintain the tritium breeding ratio and sustain the fusion reaction. One of the components of HIRS, Cryogenic Molecular Sieve Bed (CMSB) columns with zeolites adsorbents are considered for the physisorption of hydrogen isotopes at 1 bar and 77 K. Even though zeolites have good thermal stability and reduced activation properties making them ideal for use in nuclear reactor applications, their modest capacity for hydrogen isotopes adsorption is a cause of concern. In order to enhance the adsorbent capacity in an informed manner, it is helpful to understand the adsorption phenomena at the quantum electronic structure level. Physicochemical modifications of the adsorbent material enhances the adsorption capacity through the incorporation of active sites. This may be accomplished through the incorporation of suitable metal ions in the zeolite framework. In this work, molecular hydrogen isotopes adsorption on the active sites of functionalized zeolites are investigated in detail using Density Functional Theory (DFT) study. This involves the utilization of hybrid Generalized Gradient Approximation (GGA) with dispersion correction to account for the exchange and correlation functional of DFT. The electronic energies, adsorption enthalpy, adsorption free energy, Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO) energies are computed on the stable 8T zeolite clusters as well as the periodic structure functionalized with different active sites. The characteristics of the dihydrogen bond with the active metal sites and the isotopic effects are also studied in detail. Validation studies with DFT will also be presented for adsorption of hydrogen on metal ion functionalized zeolites. The ab-inito screening analysis gave insights regarding the mechanism of hydrogen interaction with the zeolites under study and also the effect of the metal ion on adsorption. This detailed study provides guidelines for selection of the appropriate metal ions that may be incorporated in the zeolites framework for effective adsorption of hydrogen isotopes in the HIRS.

Keywords: adsorption enthalpy, functionalized zeolites, hydrogen isotopes, nuclear fusion, physisorption

Procedia PDF Downloads 176