Search results for: N2 adsorption/desorption isotherm
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1020

Search results for: N2 adsorption/desorption isotherm

810 Activated Carbons Prepared from Date Pits for Hydrogen Storage

Authors: M. Belhachemi, M. Monteiro de Castro, M. Casco, A. Sepúlveda-Escribano, F. Rodríguez-Reinoso

Abstract:

In this study, activated carbons were prepared from Algerian date pits using thermal activation with CO2 or steam. The prepared activated carbons were doped by vanadium oxide in order to increase the H2 adsorption capacity. The adsorbents were characterized by N2 and CO2 adsorption at 77 K and 273K, respectively. The hydrogen adsorption experiments were carried at 298K in the 0–100 bar pressure range using a volumetric equipment. The results show that the H2 adsorption capacity is influenced by the size and volume of micropores in the activated carbon adsorbent. Furthermore, vanadium doping of activated carbons has a slight positive effect on H2 storage.

Keywords: hydrogen storage, activated carbon, vanadium doping, adsorption

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809 Hybrid Materials Obtained via Sol-Gel Way, by the Action of Teraethylorthosilicate with 1, 3, 4-Thiadiazole 2,5-Bifunctional Compounds

Authors: Afifa Hafidh, Fathi Touati, Ahmed Hichem Hamzaoui, Sayda Somrani

Abstract:

The objective of the present study has been to synthesize and to characterize silica hybrid materials using sol-gel technic and to investigate their properties. Silica materials were successfully fabricated using various bi-functional 1,3,4-thiadiazoles and tetraethoxysilane (TEOS) as co-precursors via a facile one-pot sol-gel pathway. TEOS was introduced at room temperature with 1,3,4-thiadiazole 2,5-difunctiunal adducts, in ethanol as solvent and using HCl acid as catalyst. The sol-gel process lead to the formation of monolithic, coloured and transparent gels. TEOS was used as a principal network forming agent. The incorporation of 1,3,4-thiadiazole molecules was realized by attachment of these later onto a silica matrix. This allowed covalent linkage between organic and inorganic phases and lead to the formation of Si-N and Si-S bonds. The prepared hybrid materials were characterized by Fourier transform infrared, NMR ²⁹Si and ¹³C, scanning electron microscopy and nitrogen absorption-desorption measurements. The optic and magnetic properties of hybrids are studied respectively by ultra violet-visible spectroscopy and electron paramagnetic resonance. It was shown in this work, that heterocyclic moieties were successfully attached in the hybrid skeleton. The formation of the Si-network composed of cyclic units (Q3 structures) connected by oxygen bridges (Q4 structures) was proved by ²⁹Si NMR spectroscopy. The Brunauer-Elmet-Teller nitrogen adsorption-desorption method shows that all the prepared xerogels have isotherms type IV and are mesoporous solids. The specific surface area and pore volume of these materials are important. The obtained results show that all materials are paramagnetic semiconductors. The data obtained by Nuclear magnetic resonance ²⁹Si and Fourier transform infrared spectroscopy, show that Si-OH and Si-NH groups existing in silica hybrids can participate in adsorption interactions. The obtained materials containing reactive centers could exhibit adsorption properties of metal ions due to the presence of OH and NH functionality in the mesoporous frame work. Our design of a simple method to prepare hybrid materials may give interest of the development of mesoporous hybrid systems and their use within the domain of environment in the future.

Keywords: hybrid materials, sol-gel process, 1, 3, 4-thiadaizole, TEOS

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808 Emergency Treatment of Methanol Poisoning: A Mathematical Approach

Authors: Priyanka Ghosh, Priti Kumar Roy

Abstract:

Every year a considerable number of people die due to methyl alcohol poisoning, in which most of them die even before proper treatment. This work gives a simple and cheap first aid to those affected individuals by the administration of activated charcoal. In this article, we emphasise on the adsorption capability of activated charcoal for the treatment of poisoning and use an impulsive differential equation to study the effect of activated charcoal during adsorption. We also investigate the effects of various parameters on the adsorption which are incorporated in the model system.

Keywords: activated charcoal, adsorption, impulsive differential equation, methanol poisoning

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807 C4H6 Adsorption on the Surface of A BN Nanotube: A DFT Studies

Authors: Maziar Noei

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Adsorption of a boron nitride nanotube (BNNT) was examined toward ethylacetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethylacetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube have been doped with Si and Al atomes, the adsorption energy of ethylacetylene molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about -24.19kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for ethylacetylene and can be used in separation processes ethylacetylene. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of ethylacetylene an electrical signal is generating directly and therefore can potentially be used for ethylacetylene sensors.

Keywords: sensor, nanotube, DFT, ethylacetylene

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806 Removal of Maxilon Red Dye by Adsorption and Photocatalysis: Optimum Conditions, Equilibrium, and Kinetic Studies

Authors: Aid Asma, Dahdouh Nadjib, Amokrane Samira, Ladjali Samir, Nibou Djamel

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The present work has for main objective the elimination of the textile dye Maxilon Red (MR) by two processes, adsorption on activated clay followed by photocatalysis in presence of ZnO as a photocatalyst. The influence of the physical parameters like the initial pH, adsorbent dose of the activated clay, the MR concentration and temperature has been studied. The best adsorption yield occurs at neutral pH ~ 7 within 60 min with an uptake percentage of 97% for a concentration of 25 mg L⁻¹ and a dose of 0.5 g L⁻¹. The adsorption data were suitably fitted by the Langmuir model with a maximum capacity of 176 mg g⁻¹. The MR adsorption is well described by the pseudo second order kinetic. The second part of this work was dedicated to the photocatalytic degradation onto ZnO under solar irradiation of the residual MR concentration, remained after adsorption. The effect of ZnO dose and MR concentration has also been investigated. The parametric study showed that the elimination is very effective by this process, based essentially on the in situ generation of free radicals *OH which are non-selective and very reactive. The photodegradation process follows a first order kinetic model according to the Langmuir-Hinshelwood model.

Keywords: maxilon red, adsorption, photodegradation, ZnO, coupling

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805 Anticorrosive Performances of “Methyl Ester Sulfonates” Biodegradable Anionic Synthetized Surfactants on Carbon Steel X 70 in Oilfields

Authors: Asselah Amel, Affif Chaouche M'yassa, Toudji Amira, Tazerouti Amel

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This study covers two aspects ; the biodegradability and the performances in corrosion inhibition of a series of synthetized surfactants namely Φ- sodium methyl ester sulfonates (Φ-MES: C₁₂-MES, C₁₄-MES and C₁₆-MES. The biodegradability of these organic compounds was studied using the respirometric method, ‘the standard ISO 9408’. Degradation was followed by analysis of dissolved oxygen using the dissolved oxygen meter over 28 days and the results were compared with that of sodium dodecyl sulphate (SDS). The inoculum used consists of activated sludge taken from the aeration basin of the biological wastewater treatment plant in the city of Boumerdes-Algeria. In addition, the anticorrosive performances of Φ-MES surfactants on a carbon steel "X70" were evaluated in an injection water from a well of Hassi R'mel region- Algeria, known as Baremian water, and are compared to sodium dodecyl sulphate. Two technics, the weight loss and the linear polarization resistance corrosion rate (LPR) are used allowing to investigate the relationships between the concentrations of these synthetized surfactants and their surface properties, surface coverage and inhibition efficiency. Various adsorption isotherm models were used to characterize the nature of adsorption and explain their mechanism. The results show that the MES anionic surfactants was readily biodegradable, degrading faster than SDS, about 88% for C₁₂-MES compared to 66% for the SDS. The length of their carbon chain affects their biodegradability; the longer the chain, the lower the biodegradability. The inhibition efficiency of these surfactants is around 78.4% for C₁₂-MES, 76.60% for C₁₄-MES and 98.19% for C₁₆-MES and increases with their concentration and reaches a maximum value around their critical micelle concentrations ( CMCs). Scanning electron microscopy coupled to energy dispersive X-ray spectroscopy allowed to the visualization of a good adhesion of the protective film formed by the surfactants to the surface of the steel. The studied surfactants show the Langmuirian behavior from which the thermodynamic parameters as adsorption constant (Kads), standard free energy of adsorption (〖∆G〗_ads^0 ) are determined. Interaction of the surfactants with steel surface have involved physisorptions.

Keywords: corrosion, surfactants, adsorption, adsorption isotherems

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804 Electrical Investigations of Polyaniline/Graphitic Carbon Nitride Composites Using Broadband Dielectric Spectroscopy

Authors: M. A. Moussa, M. H. Abdel Rehim, G.M. Turky

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Polyaniline composites with carbon nitride, to overcome compatibility restriction with graphene, were prepared with the solution method. FTIR and Uv-vis spectra were used for structural conformation. While XRD and XPS confirmed the structures in addition to estimation of nitrogen atom surroundings, the pore sizes and the active surface area were determined from BET adsorption isotherm. The electrical and dielectric parameters were measured and calculated with BDS .

Keywords: carbon nitride, dynamic relaxation, electrical conductivity, polyaniline

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803 Characterization of Poly(Hydroxyethyl Methacrylate-Glycidyl Methacrylate)-Imino Diacetic Acid Membrane to Adsorbing Leather Dye

Authors: Ahmet Aslan, Safiye Meric Acikel, Raziye Hilal Senay, Sinan Akgol

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Different chemical substances and too much water are used during leather production. Therefore, the waste water load of the leather industry is harmful to the environment. One of the pollution sources is the production of leather coloring process is a further need to focus on the removal of dye waste waters subject. These water-soluble dyes have a small organic molecular size. Besides the environmental hazards, these dyes cannot be underestimated, they also have harmful effects on human health. In this study, poly(hydroxyethyl methacrylate-glycidyl methacrylate) p(HEMA-GMA) hydrogel membranes were synthesized by UV polymerization method. The hydrogel synthesized is modified with imino diacetic acid (IDA) and then chelated with Cr (III) ions. The chelating capacity of the membranes was determined according to the time, pH and concentration parameters. Dynamic swelling test, elemental analysis, ninhydrin analysis and adsorption, desorption and reusability performances of membranes were also determined.

Keywords: adsorption, dye, leather, p(HEMA-GMA)-IDA

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802 Fire Smoke Removal over Cu-Mn-Ce Oxide Catalyst with CO₂ Sorbent Addition: Co Oxidation and in-situ CO₂ Sorption

Authors: Jin Lin, Shouxiang Lu, Kim Meow Liew

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In a fire accident, fire smoke often poses a serious threat to human safety especially in the enclosed space such as submarine and space-crafts environment. Efficient removal of the hazardous gas products particularly a large amount of CO and CO₂ gases from these confined space is critical for the security of the staff and necessary for the post-fire environment recovery. In this work, Cu-Mn-Ce composite oxide catalysts coupled with CO₂ sorbents were prepared using wet impregnation method, solid-state impregnation method and wet/solid-state impregnation method. The as-prepared samples were tested dynamically and isothermally for CO oxidation and CO₂ sorption and further characterized by the X-ray diffraction (XRD), nitrogen adsorption and desorption, and field emission scanning electron microscopy (FE-SEM). The results showed that all the samples were able to catalyze CO into CO₂ and capture CO₂ in situ by chemisorption. Among all the samples, the sample synthesized by the wet/solid-state impregnation method showed the highest catalytic activity toward CO oxidation and the fine ability of CO₂ sorption. The sample prepared by the solid-state impregnation method showed the second CO oxidation performance, while the coupled sample using the wet impregnation method exhibited much poor CO oxidation activity. The various CO oxidation and CO₂ sorption properties of the samples might arise from the different dispersed states of the CO₂ sorbent in the CO catalyst, owing to the different preparation methods. XRD results confirmed the high-dispersed sorbent phase in the samples prepared by the wet and solid impregnation method, while that of the sample prepared by wet/solid-state impregnation method showed the larger bulk phase as indicated by the high-intensity diffraction peaks. Nitrogen adsorption and desorption results further revealed that the latter sample had a higher surface area and pore volume, which were beneficial for the CO oxidation over the catalyst. Hence, the Cu-Mn-Ce oxide catalyst coupled with CO₂ sorbent using wet/solid-state impregnation method could be a good choice for fire smoke removal in the enclosed space.

Keywords: CO oxidation, CO₂ sorption, preparation methods, smoke removal

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801 Sulfur-Doped Hierarchically Porous Boron Nitride Nanosheets as an Efficient Carbon Dioxide Adsorbent

Authors: Sreetama Ghosh, Sundara Ramaprabhu

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Carbon dioxide gas has been a major cause for the worldwide increase in green house effect, which leads to climate change and global warming. So CO₂ capture & sequestration has become an effective way to reduce the concentration of CO₂ in the environment. One such way to capture CO₂ in porous materials is by adsorption process. A potential material in this aspect is porous hexagonal boron nitride or 'white graphene' which is a well-known two-dimensional layered material with very high thermal stability. It had been investigated that the sample with hierarchical pore structure and high specific surface area shows excellent performance in capturing carbon dioxide gas and thereby mitigating the problem of environmental pollution to the certain extent. Besides, the presence of sulfur as well as nitrogen in the sample synergistically helps in the increase in adsorption capacity. In this work, a cost effective single step synthesis of highly porous boron nitride nanosheets doped with sulfur had been demonstrated. Besides, the CO₂ adsorption-desorption studies were carried on using a pressure reduction technique. The studies show that the nanosheets exhibit excellent cyclic stability in storage performance. Thermodynamic studies suggest that the adsorption takes place mainly through physisorption. The studies show that the nanosheets exhibit excellent cyclic stability in storage performance. Further, the surface modification of the highly porous nano sheets carried out by incorporating ionic liquids had further enhanced the capturing capability of CO₂ gas in the nanocomposite, revealing that this particular material has the potential to be an excellent adsorbent of carbon dioxide gas.

Keywords: CO₂ capture, hexagonal boron nitride nanosheets, porous network, sulfur doping

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800 Continuous Fixed Bed Reactor Application for Decolourization of Textile Effluent by Adsorption on NaOH Treated Eggshell

Authors: M. Chafi, S. Akazdam, C. Asrir, L. Sebbahi, B. Gourich, N. Barka, M. Essahli

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Fixed bed adsorption has become a frequently used industrial application in wastewater treatment processes. Various low cost adsorbents have been studied for their applicability in treatment of different types of effluents. In this work, the intention of the study was to explore the efficacy and feasibility for azo dye, Acid Orange 7 (AO7) adsorption onto fixed bed column of NaOH Treated eggshell (TES). The effect of various parameters like flow rate, initial dye concentration, and bed height were exploited in this study. The studies confirmed that the breakthrough curves were dependent on flow rate, initial dye concentration solution of AO7 and bed depth. The Thomas, Yoon–Nelson, and Adams and Bohart models were analysed to evaluate the column adsorption performance. The adsorption capacity, rate constant and correlation coefficient associated to each model for column adsorption was calculated and mentioned. The column experimental data were fitted well with Thomas model with coefficients of correlation R2 ≥0.93 at different conditions but the Yoon–Nelson, BDST and Bohart–Adams model (R2=0.911), predicted poor performance of fixed-bed column. The (TES) was shown to be suitable adsorbent for adsorption of AO7 using fixed-bed adsorption column.

Keywords: adsorption models, acid orange 7, bed depth, breakthrough, dye adsorption, fixed-bed column, treated eggshell

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799 Effect of Temperature on Adsorption of Nano Ca-DTPMP Scale Inhibitor

Authors: Radhiyatul Hikmah Binti Abu, Zukhairi Bin Md Rahim, Siti Ujila Binti Masuri, Nur Ismarrubie Binti Zahari, Mohd Zobir Hussein

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This paper describes the synthesis of Calcium Diethylenetriamine-penta (Ca-DTPMP) Scale Inhibitor (SI) and the effect of temperature on its adsorption onto the mineral surfaces. Nanosized particles of Ca-DTPMP SI were synthesized and TEM result shows that the sizes of the synthesized particles are ranged from 10 nm to 30 nm. This synthesized nano SI was then used in static adsorption/precipitation test with various temperatures (37°C, 60°C and 100°C) to determine the effect of temperature on its adsorption ability. The performance of the SI was measured by their diffusion capability, which can be inferred by weighing the metal-SI that successfully adsorbed onto the kaolinite (mineral) surface. The kaolinite samples were analyzed using Scanning Electron Microscope (SEM) and the results show the reduction of pores on kaolinite surface as temperature increases. This indicates higher adsorption of the SI particles onto the mineral surface. Furthermore, EDX analysis shows the presence of Phosphorus (P) and Magnesium (Mg2+) on kaolinite particle surface, hence reaffirming the fact that adsorption took place on the kaolinite surface.

Keywords: adsorption, diffusivity, scale, scale inhibitor

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798 CO2 Adsorption on the Activated Klaten-Indonesian Natural Zeolite in a Packed Bed Adsorber

Authors: Sang Kompiang Wirawan, Chandra Purnomo

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Carbon dioxide (CO2) adsorption on the activated Klaten-Indonesian natural zeolite (AKINZ) in a packed bed adsorber has been studied. Experiment works consisted of acid activation and adsorption experiments. The natural zeolite sample was activated using 0.3 M HCl at the temperature of 353 K. In the adsorption experiments the feed gas concentrations were 40 and 80 % CO2 in helium within various temperatures of 303; 323 and 373 K. The experiments were conducted by using transient step change adsorption and 20 % Ar/He tracer experiment was conducted to measure dispersion and time lag effect of the packed bed system. A mathematical model of CO2 adsorption had been set up by assuming plug flow;isothermal;isobaric and no gas film mass transport resistance. Single site Langmuir physisorption and Maxwell Stefan mass transport in micropore were applied. All the data were then optimized to get the best value of modified fitted parameter. The model was in a good agreement with the experiment data. Diffusivity tended to increase by increasing temperatures.

Keywords: adsorption, Langmuir, Maxwell-Stefan, natural zeolite, surface diffusion

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797 Evaluation of the Adsorption Adaptability of Activated Carbon Using Dispersion Force

Authors: Masao Fujisawa, Hirohito Ikeda, Tomonori Ohata, Miho Yukawa, Hatsumi Aki, Takayoshi Kimura

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We attempted to predict adsorption coefficients by utilizing dispersion energies. We performed liquid-phase free energy calculations based on gas-phase geometries of organic compounds using the DFT and studied the relationship between the adsorption of organic compounds by activated carbon and dispersion energies of the organic compounds. A linear correlation between absorption coefficients and dispersion energies was observed.

Keywords: activated carbon, adsorption, prediction, dispersion energy

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796 Adsorption of Chromium Ions from Aqueous Solution by Carbon Adsorbent

Authors: S. Heydari, H. Sharififard, M. Nabavinia, H. Kiani, M. Parvizi

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Rapid industrialization has led to increased disposal of heavy metals into the environment. Activated carbon adsorption has proven to be an effective process for the removal of trace metal contaminants from aqueous media. This paper was investigated chromium adsorption efficiency by commercial activated carbon. The sorption studied as a function of activated carbon particle size, dose of activated carbon and initial pH of solution. Adsorption tests for the effects of these factors were designed with Taguchi approach. According to the Taguchi parameter design methodology, L9 orthogonal array was used. Analysis of experimental results showed that the most influential factor was initial pH of solution. The optimum conditions for chromium adsorption by activated carbons were found to be as follows: Initial feed pH 6, adsorbent particle size 0.412 mm and activated carbon dose 6 g/l. Under these conditions, nearly %100 of chromium ions was adsorbed by activated carbon after 2 hours.

Keywords: chromium, adsorption, Taguchi method, activated carbon

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795 Kinetic and Thermodynamic Study of Nitrates Removal by Sorption on Biochar

Authors: Amira Touil, Achouak Arfaoui, Ibtissem Mannaii

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The aim of this work is to monitor the process adsorption of nitrates by the biochar via studying the influence of various parameters on the adsorption of this pollutant by biochar in a synthetic aqueous solution. The results which obtained indicate that the 4g/L biochar dose is the most efficient in terms of nitrates removal in aqueous solution. The biochar exhibited a good affinity for nitrates after 1hour of contact. The yield of removal of nitrate by the biochar decreases with the increase of pH of the solution and increases with increasing temperature (60°C>40°C>20°C). The best removal yield is about 80% of the initial concentration introduced (25mg/L) obtained at pH=2, T=60°C, and dose of biochar=4g/L. The second order model fit the nitrate adsorption kinetics of biochar with a high coefficient of determination (R2≥0.997); and a new equation correlating the rate constant of the reaction with temperature and pH was been built. Freundlich isotherms performed well to fit the nitrate adsorption data by biochar (R2>0.96) compared to Langmuir isotherms. The thermodynamic parameters (ΔH°, ΔG°, ΔS°) have been calculated for predicting the nature of adsorption.

Keywords: pollution, biochar, nitrate, adsorption

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794 Orange Peel Derived Activated Carbon /Chitosan Composite as Highly Effective and Low-Cost Adsorbent for Adsorption of Methylene Blue

Authors: Onur Karaman, Ceren Karaman

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In this study, the adsorption of Methylene Blue (MB), a cationic dye, onto Orange Peel Derived Activated Carbon (OPAC) and chitosan(OPAC/Chitosan composite) composite (a low-cost absorbent) was carried out using a batch system. The composite was characterised using IR spectra, XRD, FESEM and Pore size studies. The effects of initial pH, adsorbent dose rate and initial dye concentration on the initial adsorption rate, capacity and dye removal efficiency were investigated. The Langmuir and Freundlich adsorption models were used to define the adsorption equilibrium of dye-adsorbent system mathematically and it was decided that the Langmuir model was more suitable to describe the adsorption equilibrium for the system. In addition, first order, second order and saturation type kinetic models were applied to kinetic data of adsorption and kinetic constants were calculated. It was concluded that the second order and the saturation type kinetic models defined the adsorption data more accurately. Finally, the evaluated thermodynamic parameters of adsorption show a spontaneous and exothermic behavior. Overall, this study indicates OPAC/Chitosan composite as an effective and low-cost adsorbent for the removal of MB dye from aqueous solutions.

Keywords: activated carbon, adsorption, chitosan, methylene blue, orange peel

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793 A First-Principles Investigation of Magnesium-Hydrogen System: From Bulk to Nano

Authors: Paramita Banerjee, K. R. S. Chandrakumar, G. P. Das

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Bulk MgH2 has drawn much attention for the purpose of hydrogen storage because of its high hydrogen storage capacity (~7.7 wt %) as well as low cost and abundant availability. However, its practical usage has been hindered because of its high hydrogen desorption enthalpy (~0.8 eV/H2 molecule), which results in an undesirable desorption temperature of 3000C at 1 bar H2 pressure. To surmount the limitations of bulk MgH2 for the purpose of hydrogen storage, a detailed first-principles density functional theory (DFT) based study on the structure and stability of neutral (Mgm) and positively charged (Mgm+) Mg nanoclusters of different sizes (m = 2, 4, 8 and 12), as well as their interaction with molecular hydrogen (H2), is reported here. It has been found that due to the absence of d-electrons within the Mg atoms, hydrogen remained in molecular form even after its interaction with neutral and charged Mg nanoclusters. Interestingly, the H2 molecules do not enter into the interstitial positions of the nanoclusters. Rather, they remain on the surface by ornamenting these nanoclusters and forming new structures with a gravimetric density higher than 15 wt %. Our observation is that the inclusion of Grimme’s DFT-D3 dispersion correction in this weakly interacting system has a significant effect on binding of the H2 molecules with these nanoclusters. The dispersion corrected interaction energy (IE) values (0.1-0.14 eV/H2 molecule) fall in the right energy window, that is ideal for hydrogen storage. These IE values are further verified by using high-level coupled-cluster calculations with non-iterative triples corrections i.e. CCSD(T), (which has been considered to be a highly accurate quantum chemical method) and thereby confirming the accuracy of our ‘dispersion correction’ incorporated DFT calculations. The significance of the polarization and dispersion energy in binding of the H2 molecules are confirmed by performing energy decomposition analysis (EDA). A total of 16, 24, 32 and 36 H2 molecules can be attached to the neutral and charged nanoclusters of size m = 2, 4, 8 and 12 respectively. Ab-initio molecular dynamics (AIMD) simulation shows that the outermost H2 molecules are desorbed at a rather low temperature viz. 150 K (-1230C) which is expected. However, complete dehydrogenation of these nanoclusters occur at around 1000C. Most importantly, the host nanoclusters remain stable up to ~500 K (2270C). All these results on the adsorption and desorption of molecular hydrogen with neutral and charged Mg nanocluster systems indicate towards the possibility of reducing the dehydrogenation temperature of bulk MgH2 by designing new Mg-based nano materials which will be able to adsorb molecular hydrogen via this weak Mg-H2 interaction, rather than the strong Mg-H bonding. Notwithstanding the fact that in practical applications, these interactions will be further complicated by the effect of substrates as well as interactions with other clusters, the present study has implications on our fundamental understanding to this problem.

Keywords: density functional theory, DFT, hydrogen storage, molecular dynamics, molecular hydrogen adsorption, nanoclusters, physisorption

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792 Polymerization: An Alternative Technology for Heavy Metal Removal

Authors: M. S. Mahmoud

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In this paper, the adsorption performance of a novel environmental friendly material, calcium alginate gel beads as a non-conventional technique for the successful removal of copper ions from aqueous solution are reported on. Batch equilibrium studies were carried out to evaluate the adsorption capacity and process parameters such as pH, adsorbent dosages, initial metal ion concentrations, stirring rates and contact times. It was observed that the optimum pH for maximum copper ions adsorption was at pH 5.0. For all contact times, an increase in copper ions concentration resulted in decrease in the percent of copper ions removal. Langmuir and Freundlich's isothermal models were used to describe the experimental adsorption. Adsorbent was characterization using Fourier transform-infrared (FT-IR) spectroscopy and Transmission electron microscopy (TEM).

Keywords: adsorption, alginate polymer, isothermal models, equilibrium

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791 Synthesis and Characterization of Molecularly Imprinted Polymer as a New Adsorbent for the Removal of Pyridine from Organic Medium

Authors: Opeyemi Elujulo, Aderonke Okoya, Kehinde Awokoya

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Molecularly imprinted polymers (MIP) for the adsorption of pyridine (PYD) was obtained from PYD (the template), styrene (the functional monomer), divinyl benzene (the crosslinker), benzoyl peroxide (the initiator), and water (the porogen). When the template was removed by solvent extraction, imprinted binding sites were left in the polymer material that are capable of selectively rebinding the target molecule. The material was characterized by Fourier transform infrared spectroscopy and differential scanning calorimetry. Batch adsorption experiments were performed to study the adsorption of the material in terms of adsorption kinetics, isotherms, and thermodynamic parameters. The results showed that the imprinted polymer exhibited higher affinity for PYD compared to non-imprinted polymer (NIP).

Keywords: molecularly imprinted polymer, bulk polymerization, environmental pollutant, adsorption

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790 Development of Nanostructured Materials for the Elimination of Emerging Pollutants in Water through Adsorption Processes

Authors: J. Morillo, Otal E., A. Caballero, R. M. Pereñiguez, J. Usero

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The present work shows in the first place, the manufacture of the perovskitic material used as adsorbent, by means of two different methods to obtain two types of perovskites (LaFeO₃ and BiFeO₃). The results of this work show the characteristics of this manufactured material, as well as the synthesis yields obtained, achieving a better result for the self-combustion synthesis. Secondly, from the manufactured perovskites, an adsorption system has been developed, at the laboratory level, for the adsorption of the emerging pollutants Trimethoprim, Ciprofloxacin and Ibuprofen.

Keywords: nanostructured materials, emerging pollutants, water, adsorption processes

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789 The Study of Chitosan beads Adsorption Properties for the Removal of Heavy Metals

Authors: Peter O. Osifo, Hein W. J. P. Neomagus

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In this study, a predicted pH model was used to determine adsorption equilibrium properties of copper, lead, zinc and cadmium. Chitosan was prepared from the exoskeleton of Cape rock-lobsters, collected from the surroundings of Cape Town, South Africa. The beads were cross-linked with gluteraldehyde to restore its chemical stability in acid media. The chitosan beads were characterized; the beads water contents and pKa varied in the range of 90-96% and 4.3-6.0 respectively and the degree of crosslinking for the beads was 18%. A pH-model, which described the reversibility of the metal adsorbed onto the beads, was used to predict the equilibrium properties of copper, lead, zinc and cadmium adsorption onto the cross-linked beads. The model accounts for the effect of pH and the important model parameters; the equilibrium adsorption constant (Kads) and to a lesser extent the adsorbent adsorption capacity (qmax). The adsorption equilibrium constant for copper, lead, zinc and cadmium were found to be 2.58×10-3, 2.22×0-3, 9.55×0-3, and 4.79×0-3, respectively. The adsorbent maximum capacity was determined to be 4.2 mmol/g.

Keywords: chitosan beads, adsorption, heavy metals, waste water

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788 Mesoporous Material Nanofibers by Electrospinning

Authors: Sh. Sohrabnezhad, A. Jafarzadeh

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In this paper, MCM-41 mesoporous material nanofibers were synthesized by an electrospinning technique. The nanofibers were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), x-ray diffraction (XRD), and nitrogen adsorption–desorption measurement. Tetraethyl orthosilicate (TEOS) and polyvinyl alcohol (PVA) were used as a silica source and fiber forming source, respectively. TEM and SEM images showed synthesis of MCM-41 nanofibers with a diameter of 200 nm. The pore diameter and surface area of calcined MCM-41 nanofibers was 2.2 nm and 970 m2/g, respectively. The morphology of the MCM-41 nanofibers depended on spinning voltages.

Keywords: electrospinning, electron microscopy, fiber technology, porous materials, X-ray techniques

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787 Theoretical Investigation of Gas Adsorption on Metal- Graphene Surface

Authors: Fatemeh Safdari, Amirnaser Shamkhali, Gholamabbas Parsafar

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Carbon nanostructures are of great importance in academic research and industry, which can be mentioned to chemical sensors, catalytic processes, pharmaceutical and environmental issues. Common point in all of these applications is the occurrence of adsorption of molecules on these structures. Important carbon nanostructures in this case are mainly nanotubes and graphene. To modify pure graphene, recently, many experimental and theoretical studies have carried out to investigate of metal adsorption on graphene. In this work, the adsorption of CO molecules on pure graphene and on metal adatom on graphene surface has been simulated based on density functional theory (DFT). All calculations were performed by PBE functional and Troullier-Martins pseudopotentials. Density of states (DOS) for graphene-CO, graphen and CO around the Fermi energy has been moved and very small mixing occured which implies the physisorption of CO on the bare graphen surface. While, the results have showed that CO adsorption on transition-metal adatom on graphene surface is chemisorption.

Keywords: adsorption, density functional theory, graphene, metal adatom

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786 MIL-88b(Fe)-MOF Grafted Carbon Dot Nanocomposites as Effective Photocatalysts for Fenton-Like Photodegradation of Amphotericin B and Naproxen Under Visible Light Irradiation

Authors: Payam Hayati, Fateme Firoozbakht, Gholamhassan Azimi, Shahram Tangestaninejad

Abstract:

The synthesis of a photocatalytic adsorbent involved the integration of carbon dots (CD) into a metal-organic framework (MOF) of MIL-88B(Fe) using the solvothermal technique. Characterization of the resulting CD@MIL-88B(Fe) was conducted using various analytical methods, including X-ray-based microscopic and spectroscopic techniques, electrochemical impedance spectroscopy, UV–Vis, FT-IR, DRS, TGA, and photoluminescence (PL) analysis. The adsorbent demonstrated significant photocatalytic activity, achieving up to 92% and 90% removal of amphotericin B (AmB) and naproxen (Nap) from aqueous solutions under visible light, with an RSD value of around 5%. The study explored the factors influencing the degradation of pharmaceuticals and determined the optimal conditions for the process, including pH values of 3 and 4 for AmB and Nap, a photocatalyst concentration of 0.2 g L-1, and an H2O2 concentration ranging from 40 to 50 mM. Reactive oxidative species such as ⋅OH and ⋅O2 were identified through the examination of different scavengers. Additionally, the adsorption isotherm and kinetic studies revealed that the synthesized photocatalyst functions as an effective adsorbent, with maximum adsorption capacities of 42.5 and 121.5 mg g-1 for AmB and Nap, while also serving as a photocatalytic agent for removal purposes.

Keywords: fenton-like degradation, metal-organic frameworks, heterogenous photocatalysts, naproxen

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785 Inhibition Effect of Natural Junipers Extract towards Steel Corrosion in HCl Solution

Authors: L. Bammou, M. Belkhaouda R. Salghi, L. Bazzi, B. Hammouti

Abstract:

Steel and steel-based alloys of different grades steel are extensively used in numerous applications where acid solutions are widely applied such as industrial acid pickling, industrial acid cleaning and oil-well acidizing. The use of chemical inhibitors is one of the most practical methods for the protection against corrosion in acidic media. Most of the excellent acid inhibitors are organic compounds containing nitrogen, oxygen, phosphorus and sulphur. The use of non-toxic inhibitors called green or eco-friendly environmental inhibitors is one of the solutions possible to prevent the corrosion of the material. These advantages have incited us to draw a large part of program of our laboratory to examine natural substances as corrosion inhibitors such as: prickly pear seed oil, Argan oil, Argan extract, Fennel oil, Rosemary oil, Thymus oil, Lavender oil, Jojoba oil, Pennyroyal Mint oil, and Artemisia. In the present work, we investigate the corrosion inhibition of steel in 1 M HCl by junipers extract using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods. The result obtained of junipers extract (JE) shows excellent inhibition properties for the corrosion of C38 steel in 1M HCl at 298K, and the inhibition efficiency increases with increasing of the JE concentration. The inhibitor efficiencies determined by weight loss, Tafel polarisation and EIS methods are in reasonable agreement. Based on the polarisation results, the investigated junipers extract can be classified as mixed inhibitor. The calculated structural parameters show increase of the obtained Rct values and decrease of the capacitance, Cdl, with JE concentration increase. It is suggested to attribute this to the increase of the thickness of the adsorption layer at steel surface. The adsorption model obeys to the Langmuir adsorption isotherm. The adsorption process is a spontaneous and exothermic process.

Keywords: corrosion inhibition, steel, friendly inhibitors, Tafel polarisation

Procedia PDF Downloads 483
784 Numerical Simulation of the Dynamic Behavior of a LaNi5 Water Pumping System

Authors: Miled Amel, Ben Maad Hatem, Askri Faouzi, Ben Nasrallah Sassi

Abstract:

Metal hydride water pumping system uses hydrogen as working fluid to pump water for low head and high discharge. The principal operation of this pump is based on the desorption of hydrogen at high pressure and its absorption at low pressure by a metal hydride. This work is devoted to study a concept of the dynamic behavior of a metal hydride pump using unsteady model and LaNi5 as hydriding alloy. This study shows that with MHP, it is possible to pump 340l/kg-cycle of water in 15 000s using 1 Kg of LaNi5 at a desorption temperature of 360 K, a pumping head equal to 5 m and a desorption gear ratio equal to 33. This study reveals also that the error given by the steady model, using LaNi5 is about 2%.A dimensional mathematical model and the governing equations of the pump were presented to predict the coupled heat and mass transfer within the MHP. Then, a numerical simulation is carried out to present the time evolution of the specific water discharge and to test the effect of different parameters (desorption temperature, absorption temperature, desorption gear ratio) on the performance of the water pumping system (specific water discharge, pumping efficiency and pumping time). In addition, a comparison between results obtained with steady and unsteady model is performed with different hydride mass. Finally, a geometric configuration of the reactor is simulated to optimize the pumping time.

Keywords: dynamic behavior, LaNi5, performance of water pumping system, unsteady model

Procedia PDF Downloads 173
783 Adsorption of Pb(II) with MOF [Co2(Btec)(Bipy)(DMF)2]N in Aqueous Solution

Authors: E. Gil, A. Zepeda, J. Rivera, C. Ben-Youssef, S. Rincón

Abstract:

Water pollution has become one of the most serious environmental problems. Multiple methods have been proposed for the removal of Pb(II) from contaminated water. Among these, adsorption processes have shown to be more efficient, cheaper and easier to handle with respect to other treatment methods. However, research for adsorbents with high adsorption capacities is still necessary. For this purpose, we proposed in this work the study of metal-organic Framework [Co2(btec)(bipy)(DMF)2]n (MOF-Co) as adsorbent material of Pb (II) in aqueous media. MOF-Co was synthesized by a simple method. Firstly 4, 4’ dipyridyl, 1,2,4,5 benzenetetracarboxylic acid, cobalt (II) and nitrate hexahydrate were first mixed each one in N,N dimethylformamide (DMF) and then, mixed in a reactor altogether. The obtained solution was heated at 363 K in a muffle during 68 h to complete the synthesis. It was washed and dried, obtaining MOF-Co as the final product. MOF-Co was characterized before and after the adsorption process by Fourier transforms infrared spectra (FTIR) and X-ray photoelectron spectroscopy (XPS). The Pb(II) in aqueous media was detected by Absorption Atomic Spectroscopy (AA). In order to evaluate the adsorption process in the presence of Pb(II) in aqueous media, the experiments were realized in flask of 100 ml the work volume at 200 rpm, with different MOF-Co quantities (0.0125 and 0.025 g), pH (2-6), contact time (0.5-6 h) and temperature (298,308 and 318 K). The kinetic adsorption was represented by pseudo-second order model, which suggests that the adsorption took place through chemisorption or chemical adsorption. The best adsorption results were obtained at pH 5. Langmuir, Freundlich and BET equilibrium isotherms models were used to study the adsorption of Pb(II) with 0.0125 g of MOF-Co, in the presence of different concentration of Pb(II) (20-200 mg/L, 100 mL, pH 5) with 4 h of reaction. The correlation coefficients (R2) of the different models show that the Langmuir model is better than Freundlich and BET model with R2=0.97 and a maximum adsorption capacity of 833 mg/g. Therefore, the Langmuir model can be used to best describe the Pb(II) adsorption in monolayer behavior on the MOF-Co. This value is the highest when compared to other materials such as the graphene/activated carbon composite (217 mg/g), biomass fly ashes (96.8 mg/g), PVA/PAA gel (194.99 mg/g) and MOF with Ag12 nanoparticles (120 mg/g).

Keywords: adsorption, heavy metals, metal-organic frameworks, Pb(II)

Procedia PDF Downloads 185
782 Investigation of Corrosion Inhibition Potential of Acalypha chamaedrifolia Leaves Extract towards Mild Steel in Acid Medium

Authors: Stephen Eyije Abechi, Casimir Emmanuel Gimba, Zaharaddeen Nasiru Garba, Sani Shamsudeen, David Ebuka Authur

Abstract:

Corrosion inhibition of mild steel in acid medium using Acalypha chamaedrifolia leaves extract as potential green inhibitor was investigated. Gravimetric (weight loss) technique was used for the corrosion studies. Mild steel coupons of 2cm × 1cm × 0.27 cm dimensions were exposed for varying durations of between 24 to 120 hours, in 1M HCl medium containing a varying concentrations of the leaves extract (0.25g/L, - 1.25g/L). The results show that corrosion rates dropped from a value of 0.49 mgcm-2hr-1 for the uninhibited medium to a value of 0.15 mgcm-2hr-1 for the inhibited medium of 1M HCl in 0.25 g/l of the extract. Values of corrosion inhibition efficiencies of 70.38-85.11% were observed as the concentration of the inhibitor were increased from 0.25g/L, - 1.25g/L. Corrosion Inhibition was found to increase with increase in immersion time and temperature. The magnitude of the Ea indicates that the interaction between the metal surface and the inhibitor was chemisorptions. The Adsorption process fit into the Langmuir isotherm model with a correlation coefficient of 0.97. Evidence from molecular dynamics model shows that Methyl stearate (Line 5) and (3Z, 13Z)-2-methyloctadeca-3,13-dien-1-ol (line 11) were found to have the highest binding energy of -197.69 ± 3.12 and-194.56 ± 10.04 in kcal/mol respectively. The binding energy of these compounds indicates that they would be a very good corrosion inhibitor for mild steel and other Fe related materials.

Keywords: binding energy, corrosion, inhibitor, langmuir isotherm, mild steel

Procedia PDF Downloads 322
781 Corrosion Inhibition of Mild Steel by Calcium Gluconate in Magnesium Chloride Solution

Authors: Olaitan Akanji, Cleophas Loto, Patricia Popoola, Andrei Kolesnikov

Abstract:

Studies involving performance of corrosion inhibitors had been identified as one of the critical research needs for improving the durability of mild steel used in various industrial applications. This paper investigates the inhibiting effect of calcium gluconate against the corrosion of mild steel in 2.5M magnesium chloride using weight loss method and linear polarization technique, calculated corrosion rates from the obtained weight loss data, potentiodynamic polarization measurements are in good agreement. Results revealed calcium gluconate has strong inhibitory effects with inhibitor efficiency increasing with increase in inhibitor concentration at ambient temperature, the efficiency of the inhibitor increased in the following order of concentrations 2%g/vol,1.5%g/vol,1%g/vol,0.5%g/vol. Further results obtained from potentiodynamics experiments had good correlation with those of the gravimetric methods, the adsorption of the inhibitor on the mild steel surface from the chloride has been found to obey Langmuir, Frumkin and Freudlich adsorption isotherm. Scanning electron microscopy (SEM) observation confirmed the existence of an absorbed protective film on the metal surface.

Keywords: calcium gluconate, corrosion, magnesium chloride, mild steel

Procedia PDF Downloads 316