988 results on '"Erto A"'
Search Results
152. Dynamic studies on carbon dioxide capture using lignocellulosic based activated carbons
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Balsamo, M., Tsyntsarski, B., Erto, A., Budinova, T., Petrova, B., Petrov, N., and Lancia, A.
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- 2015
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153. Mechanisms of Methylparaben Adsorption onto Activated Carbons: Removal Tests Supported by a Calorimetric Study of the Adsorbent–Adsorbate Interactions
- Author
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Valentina Bernal, Liliana Giraldo, Juan Carlos Moreno-Piraján, Marco Balsamo, and Alessandro Erto
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Adsorption mechanisms ,activated carbon ,methylparaben ,calorimetry ,immersion enthalpy ,surface functional groups ,Organic chemistry ,QD241-441 - Abstract
In this study, the mechanisms of methylparaben adsorption onto activated carbon (AC) are elucidated starting from equilibrium and thermodynamic data. Adsorption tests are carried out on three ACs with different surface chemistry, in different pH and ionic strength aqueous solutions. Experimental results show that the methylparaben adsorption capacity is slightly affected by pH changes, while it is significantly reduced in the presence of high ionic strength. In particular, methylparaben adsorption is directly dependent on the micropore volume of the ACs and the π- stacking interactions, the latter representing the main interaction mechanism of methylparaben adsorption from liquid phase. The equilibrium adsorption data are complemented with novel calorimetric data that allow calculation of the enthalpy change associated with the interactions between solvent-adsorbent, adsorbent-adsorbate and the contribution of the ester functional group (in the methylparaben structure) to the adsorbate–adsorbent interactions, in different pH and ionic strength conditions. It was determined that the interaction enthalpy of methylparaben-AC in water increases (absolute value) slightly with the basicity of the activated carbons, due to the formation of interactions with π- electrons and basic functional groups of ACs. The contribution of the ester group to the adsorbate-adsorbent interactions occurs only in the presence of phenol groups on AC by the formation of Brønsted–Lowry acid–base interactions.
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- 2019
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154. CO2 adsorption onto synthetic activated carbon: Kinetic, thermodynamic and regeneration studies
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Balsamo, M., Budinova, T., Erto, A., Lancia, A., Petrova, B., Petrov, N., and Tsyntsarski, B.
- Published
- 2013
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155. Remediation of an aquifer polluted with dissolved tetrachloroethylene by an array of wells filled with activated carbon
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Bortone, I., Di Nardo, A., Di Natale, M., Erto, A., Musmarra, D., and Santonastaso, G.F.
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- 2013
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156. Desorption of arsenic from exhaust activated carbons used for water purification
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Di Natale, F., Erto, A., and Lancia, A.
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- 2013
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157. Gasification of coal combustion ash for its reuse as adsorbent
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Balsamo, Marco, Di Natale, Francesco, Erto, Alessandro, Lancia, Amedeo, Montagnaro, Fabio, and Santoro, Luciano
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- 2013
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158. Theoretical interpretation of single and quaternary adsorption of Cu2+, Co2+, Ni2+ and Ag+ on sludge modified by alkaline fusion via physical models
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Sellaoui, Lotfi, Yahyaoui, Samia, Taamalli, Sonia, Srour, Zainab, Franco, Dison, Schadeck Netto, Matias, Georgin, Jordana, Bonilla-Petriciolet, Adrián, Louis, Florent, El Bakali, Abderrahman, Fèvre-Nollet, Valérie, Luiz Dotto, Guilherme, Erto, Alessandro, Abdelmottaleb, Ben Lamine, Chen, Zhuqi, Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), and Université de Lille-Centre National de la Recherche Scientifique (CNRS)
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[CHIM]Chemical Sciences ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2022
159. A service quality map based on Kano's theory of attractive quality
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Erto, Pasquale, Vanacore, Amalia, Staiano, Michele, Witell, Lars, Löfgren, Martin, and Gustafsson, Anders
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- 2011
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160. A Thermodynamic/Kinetic Study of Ammonia-based Flue Gas Desulfurization Processes.
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Flagiello, Domenico, Natale, Francesco Di, Lancia, Amedeo, Sebastiani, Ilio, Nava, Fabrizio, Milicia, Antonino, and Erto, Alessandro
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THERMODYNAMICS ,AMMONIA ,FLUE gas desulfurization ,COMPUTABLE general equilibrium models ,SULFUR dioxide - Abstract
In this work, we propose a study of the SO
2 mass-transfer rate in an absorption process based on the use of an aqueous solution of ammonia (NH3 ), which reacts with SO2 to give ammonium sulfite according to follow overall reaction SO2 + 2NH3 + H2 O → (NH4 )2 SO3 . An experimental and modelling study is carried out to define the thermodynamic and kinetic aspects of the ammonia-based Flue Gas Desulfurization (FGD) process. A dataset of SO2 solubility in aqueous ammonia solutions was estimated by simulations in ASPEN PLUS using an equilibrium model based on data provided in the relevant literature. The Enhancement factors (EL) for the SO2 ammonia-based absorption are determined under the explored experimental conditions: different gas and liquid flow rates, and feed molar NH3(aq) /SO2 (g) ratios, varying both concentrations of ammonia in the liquid and sulfur dioxide in the gas streams. In this work, we propose a study of the SO2 mass-transfer rate in an absorption process based on the use of an aqueous solution of ammonia (NH3 ), which reacts with SO2 to give ammonium sulfite according to follow overall reaction SO2 + 2NH3 + H2 O → (NH4 )2 SO3 . An experimental and modelling study is carried out to define the thermodynamic and kinetic aspects of the ammonia-based Flue Gas Desulfurization (FGD) process. A dataset of SO2 solubility in aqueous ammonia solutions was estimated by simulations in ASPEN PLUS using an equilibrium model based on data provided in the relevant literature. The Enhancement factors (EL) for the SO2 ammonia-based absorption are determined under the explored experimental conditions: different gas and liquid flow rates, and feed molar NH3(aq) /SO2 (g) ratios, varying both concentrations of ammonia in the liquid and sulfur dioxide in the gas streams. [ABSTRACT FROM AUTHOR]- Published
- 2023
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161. Steam- and carbon dioxide-gasification of coal combustion ash for liquid phase cadmium removal by adsorption
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Balsamo, Marco, Di Natale, Francesco, Erto, Alessandro, Lancia, Amedeo, Montagnaro, Fabio, and Santoro, Luciano
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- 2012
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162. Interpretation of the adsorption mechanism of Reactive Black 5 and Ponceau 4R dyes on chitosan/polyamide nanofibers via advanced statistical physics model
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Hassan Hanafy, Zichao Li, Adrian Bonilla-Petriciolet, Lotfi Sellaoui, Guilherme Luiz Dotto, Abdelmottaleb Ben Lamine, Hafedh Belmabrouk, Matias Schadeck Netto, Alessandro Erto, Li, Zichao, Sellaoui, Lotfi, Dotto, Guilherme Luiz, Lamine, Abdelmottaleb Ben, Bonilla-Petriciolet, A., Hanafy, Hassan, Belmabrouk, Hafedh, Netto, Matias Schadeck, and Erto, Alessandro
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Materials Chemistry2506 Metals and Alloys ,Atomic and Molecular Physics, and Optic ,Dye ,Chitosan/polyamide nanofiber ,Adsorption energy ,Condensed Matter Physic ,02 engineering and technology ,010402 general chemistry ,01 natural sciences ,Ponceau 4R ,chemistry.chemical_compound ,Adsorption ,Physisorption ,Desorption ,Materials Chemistry ,Molecule ,Statistical physics ,Physical and Theoretical Chemistry ,Spectroscopy ,Electronic, Optical and Magnetic Material ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Separation process ,chemistry ,Polyamide ,Advanced adsorption model ,0210 nano-technology ,Saturation (chemistry) - Abstract
Herein, a chitosan/polyamide nanofibers (CPN)-based adsorbent is employed to interpret the adsorption mechanism of two dyes, namely Reactive Black 5 (RB5) and Ponceau 4R (P4R), at different temperatures. Based on experimental results, the adsorption isotherms of RB5 and P4R dyes indicate that the separation process tends to a saturation plateau at high concentration, also suggesting that the dyes adsorption process occurs with the formation of a finite number of layers. To provide a reasonable explanation of the dyes adsorption mechanisms, three statistical physics models are used and discussed. The advanced modelling analysis reveals that the adsorption of both dyes occurs by the formation of two different adsorbed layers on CPN surface. Based on the application of the best statistical physics adsorption model, it was deduced that both dyes were anchored with horizontal and non-horizontal positions on CPN surface depending on temperature, which was concluded by investigation the captured number of dye molecules per CPN adsorbent site during the adsorption process. Based on these theoretical results, it was noted that the adsorption capacities at saturation followed this sequence: Q (P4R) > Q (RB5) for all investigated temperatures (i.e., 222.4, 261.3, 352.8, 482.2 mg/g for P4R and 198.6, 267.7, 288.2, 352.5 mg/g for RB5), indicating that CPN adsorbent was more effective for the P4R dye removal. The adsorption energies are studied to explain the difference in the interactions between dyes and adsorbent surface (P4R-CPN, RB5-CPN), and between these dyes (P4R-P4R, RB5-RB5), indicating that the removal of these adsorbates was based on a physisorption mechanism where a desorption process is possible. Comparing the estimated parameters of the best statistical physics model, it was concluded that both steric and energetic factors are mainly responsible for the adsorption of P4R and RB5 dyes on CPN.
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- 2019
163. Solubility of benzene in copolymer aqueous solutions for the design of gas absorption unit operations
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Erto, A. and Lancia, A.
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- 2012
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164. A quantitative prediction of the viscosity of amine based DESs using Sσ-profile molecular descriptors
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Yacine Benguerba, Alessandro Erto, Marco Balsamo, Inas M. AlNashef, Barbara Ernst, Benguerba, Yacine, Alnashef, Inas M., Erto, Alessandro, Balsamo, Marco, Ernst, Barbara, Université Ferhat-Abbas Sétif 1 [Sétif] (UFAS1), Centre de Recherche en biotechnologie (CRBt) Constantine, Department of Engineering Khalifa University of Science and Technology Abu Dhabi, Università degli studi di Napoli Federico II, Institut Pluridisciplinaire Hubert Curien (IPHC), and Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)
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Work (thermodynamics) ,Multilinear map ,Quantitative structure–activity relationship ,Artificial neural network ,010405 organic chemistry ,Chemistry ,Organic Chemistry ,Experimental data ,010402 general chemistry ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Inorganic Chemistry ,Viscosity ,COSMO-RS ,Molecular descriptor ,Deep eutectic solvents Viscosity Modelling COSMO-RS Quantitative structure property relationships Artificial neural network ,[CHIM]Chemical Sciences ,Biological system ,Spectroscopy - Abstract
International audience; In recent years, the preparation of deep eutectic solvents (DESs) using amines as hydrogen bond donors (HBD) has been reported by several research groups. One of the potential use of this type of DESs is in the field of CO2 capture, where the viscosity of the solvent before and after the absorption is of paramount importance. Since the number of possible combinations of DESs is huge, a mathematical model for the predicting of the viscosity of DESs at different temperatures is very important.In this work, a new mathematical model for the prediction of amine-based DESs viscosities using the quantitative structure property relationships (QSPR) approach is presented. A combination of multilinear regression (MLR) and artificial neural networks (ANN) methods is used for the development of the model. A data set of 108 experimental measurements of viscosity of five amines-based DESs, taken from the literature, is used for the development and subsequent verification of the model. The more appropriate model is determined by a dedicated statistical analysis, in which the most significant descriptors are preliminary determined. The results show that the proposed models are able to predict the DESs viscosities with very high accuracy, i.e. with a R2 value of 0.9975 in training and 0.9863 for validation using the ANN model and R2 value of 0.9305 for the MLR model. The retrieved model can be considered as a very reliable tool for the prediction of DESs viscosity when experimental data are absent. In turn, this can provide useful guidelines for the synthesis of low-viscosity DESs able to minimize energy requirements associated to their processing (e.g. power required for pumps), thus fostering their industrial-scale implementation.
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- 2019
165. Adsorption of methylene blue on agroindustrial wastes: Experimental investigation and phenomenological modelling
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Marília Teodosio Costa, Pollyanna Vanessa dos Santos Lins, Eduardo Hiromitsu Tanabe, João Inácio Soletti, Guilherme Luiz Dotto, R. L. Almeida, Ana Karla de Souza Abud, Alessandro Erto, Lucas Meili, Lotfi Sellaoui, Sandra Carvalho, Meili, L., Lins, P. V. S., Costa, M. T., Almeida, R. L., Abud, A. K. S., Soletti, J. I., Dotto, G. L., Tanabe, E. H., Sellaoui, L., Carvalho, S. H. V., and Erto, A.
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Materials science ,030303 biophysics ,Kinetics ,Biophysics ,Industrial Waste ,Agro-waste ,03 medical and health sciences ,chemistry.chemical_compound ,Adsorption ,Physisorption ,Monolayer ,Molecule ,Cellulose ,Molecular Biology ,0303 health sciences ,Statistical physic ,Biosorption ,Agriculture ,Saccharum ,Methylene Blue ,Biophysic ,Models, Chemical ,chemistry ,Chemical engineering ,Dyes removal ,Environmental Pollutants ,Bagasse ,Methylene blue - Abstract
In this work, agro-wastes coming from soursop (peel, seeds and pulp fiber) and sugarcane (bagasse) are used as low-cost biosorbents to remove methylene blue (MB) from aqueous media. Batch experiments are performed under different experimental conditions investigating the effects of biosorbent amount, dye concentration and stirring rate. The best results were found using soursop wastes for a MB concentration of 100 mg L−1, using 0.75 g of residue and a stirring rate of 110 rpm, removing a percentage above 90%. Theoretically, adsorption kinetic can be successfully described by the pseudo-second order model. Redlich-Peterson and Sips models are adopted to interpret the equilibrium adsorption of MB on sugarcane bagasse and soursop residue, respectively. Interestingly, the monolayer model with single energy derived by statistical physics theory is also applied for a deeper explanation of the adsorption mechanism of MB on both the adsorbents. The application of this model allows defining the adsorption geometry of the investigated adsorbate and provides important information about the interactions between the adsorbate and sorbents. In particular, the modelling analysis by statistical physics allows defining that the dye molecules are adsorbed in vertical position and the adsorption process is multi-molecular (i.e. n > 1). Finally, the estimation of adsorption energy suggested that MB adsorption on biosorbent is a physisorption process.
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- 2019
166. Multitask Quantum Study of the Curcumin-Based Complex Physicochemical and Biological Properties
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Baira, Kaouther, primary, Ounissi, Ali, additional, Merouani, Hafida, additional, Alam, Manawwer, additional, Ouddai, Nadia, additional, Erto, Alessandro, additional, Yadav, Krishna Kumar, additional, Islam, Saiful, additional, Cheon, Ji-Kwang, additional, Jeon, Byong-Hun, additional, and Benguerba, Yacine, additional
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- 2022
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167. Il verbo μϵταγράФω e il concetto greco di 'traduzione' (є̔ρμηνєύω, є̔ρμηνєία)
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Erto, Maurizio
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- 2011
168. Carbon Dioxide Capture from Model Marine Diesel Engine Exhaust by means of K2CO3-Based Sorbents
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M. Balsamo, A. Erto, A. Lancia, and F. Di Natale
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Chemical engineering ,TP155-156 ,Computer engineering. Computer hardware ,TK7885-7895 - Abstract
The on-board ship installation of a high-efficiency and low-cost CO2 separation unit seems to be an attractive option to comply with recent regulations aimed at reducing the carbon footprint derived from the maritime sector. Our research group is currently developing a capture and storage scheme based on the use of potassium carbonate for CO2 conversion into solid potassium bicarbonate. In this paper, we summarize preliminary CO2 capture tests on both raw and alumina-supported K2CO3 carried out in a fixed bed apparatus under typical model marine diesel engine exhaust composition (CO2 5 %, H2O 5 %, N2 90 % by vol.) and temperatures (60 - 105 °C). Carbonation data for the parent bulk K2CO3 showed a maximum capture capacity of 0.138 mmol g-1 corresponding to a nearly 2 % sorbent utilization factor. An increase in the operating temperature produced a reduction of the carbonation capacity and faster capture kinetics. The alumina-supported sorbent tested at 60 °C displayed enhanced CO2 capture capacity with a maximum conversion degree of 43 %. This testifies the positive effect derived by the dispersion of the active phase onto a substrate with large surface area in the CO2 capture process, likely for a remarkable reduction of diffusion limitations during the carbonation reaction in the case of nano-sized potassium carbonate with respect to granular sorbents.
- Published
- 2016
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169. Cadmium and Zinc Adsorption Kinetics onto Activated Carbon in Single and Binary Systems
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F. La Motta, F. Di Natale, A. Erto, and A. Lancia
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Chemical engineering ,TP155-156 ,Computer engineering. Computer hardware ,TK7885-7895 - Abstract
In this paper, we are presenting a study aimed to understand the adsorption kinetics of a binary system with zinc and cadmium. Firstly, the zinc adsorption kinetic study as single compound was carried out in terms of initial concentration and carbon particle size. Then the adsorption kinetics of the Zn/Cd binary system was accomplished in different experimental configurations. For a thorough comprehension of the multicomponent adsorption, a specific preloaded test was also carried out by adding a zinc solution to a single-compound cadmium-carbon suspension at equilibrium. The experiments showed that the zinc adsorption rate decreases with the increase of its initial concentration, while remaining almost constant with the carbon particle size. The preloaded test revealed that the cadmium desorbed once the zinc was added and the system reached suddenly the equilibrium condition of the binary system. The experimental data were interpreted by several kinetic models and it turned out that the Elovich model described adequately most of the adsorption data. In conclusion, the activated carbon presents a higher affinity toward zinc with respect to cadmium, and the binary tests showed a competition toward the same active sites between the two compounds, being zinc ions always preferred.
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- 2016
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170. Clorazepate removal from aqueous solution by adsorption onto maghnite: Experimental and theoretical analysis
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Khaoula Laouameur, Alessandro Erto, Barbara Ernst, Marco Balsamo, Yacine Benguerba, Abdenacer Flilissa, Guilherme Luiz Dotto, Ferhat ABBAS University of Setif-1, Département Sciences Analytiques et Interactions Ioniques et Biomoléculaires (DSA-IPHC), Institut Pluridisciplinaire Hubert Curien (IPHC), Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Laouameur, K., Flilissa, A., Erto, A., Balsamo, M., Ernst, B., Dotto, G., and Benguerba, Y.
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Materials science ,Scanning electron microscope ,Kinetics ,02 engineering and technology ,010402 general chemistry ,01 natural sciences ,Monte Carlo simulations ,chemistry.chemical_compound ,Maghnite ,Adsorption ,Materials Chemistry ,Molecule ,[CHIM]Chemical Sciences ,Freundlich equation ,Physical and Theoretical Chemistry ,Fourier transform infrared spectroscopy ,Spectroscopy ,Clorazepate (CLZ) ,Benzodiazepine ,Aqueous solution ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Montmorillonite ,chemistry ,Chemical engineering ,0210 nano-technology - Abstract
International audience; The removal of a benzodiazepine (clorazepate, CLZ) from aqueous solution by adsorption onto maghnite clay is investigated supported by theoretical simulations. The Fourier-transform infrared (FTIR), Ultraviolet (UV), X-ray diffraction (XRD), and scanning electron microscope (SEM) analyses were used to characterize the adsorbent. To individuate the optimum conditions for adsorption, equilibrium, and kinetic tests are performed to assess the efficiency of this adsorbent to remove CLZ from polluted water in different operating conditions like pH, initial concentration, adsorbent dosage, and contact time. Adsorption is maximum at low pH, and it is mainly driven by electrostatic interactions between the benzenic ring of CLZ molecule and the montmorillonite layer of maghnite adsorbent. The kinetics obeys to the pseudo-first-order kinetic model, while the Freundlich isotherm model was found to better describe the adsorption equilibrium. The maximum observed adsorption amount of CLZ onto maghnite was about 50 mg g−1 at pH 4.66. A complementary theoretical study is performed to quantify the CLZ/maghnite interactions using Monte Carlo simulations. Interestingly, the results show that the CLZ assumes a horizontal position on the maghnite surface upon adsorption, characterized by high energy adsorption.
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- 2021
171. Numerical study of sorption-enhanced methane steam reforming over Ni/Al2O3 catalyst in a fixed-bed reactor
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Yacine Benguerba, Amira Neni, Marco Balsamo, Barbara Ernst, Alessandro Erto, Djafer Benachour, Ferhat ABBAS University of Setif-1, Département Sciences Analytiques et Interactions Ioniques et Biomoléculaires (DSA-IPHC), Institut Pluridisciplinaire Hubert Curien (IPHC), Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Neni, A., Benguerba, Y., Balsamo, M., Erto, A., Ernst, B., and Benachour, D.
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Exothermic reaction ,Coke deposition ,Materials science ,Hydrogen ,020209 energy ,chemistry.chemical_element ,02 engineering and technology ,Mole fraction ,7. Clean energy ,Endothermic process ,Catalysis ,Steam reforming ,Sorption-enhanced reaction ,0202 electrical engineering, electronic engineering, information engineering ,[CHIM]Chemical Sciences ,ComputingMilieux_MISCELLANEOUS ,Hydrogen production ,Fluid Flow and Transfer Processes ,Mechanical Engineering ,Sorption ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Catalytic reactor ,Methane steam reforming ,chemistry ,Chemical engineering ,13. Climate action ,CFD ,0210 nano-technology - Abstract
The present work deals with the Sorption-Enhanced Methane Steam Reforming (SE-MSR), an interesting and energy-efficient hydrogen production route with in situ CO2 capture. A computational fluid dynamics (CFD) model for an industrial-scale fixed-bed reactor, with Ni/Al2O3 as catalyst and CaO as an adsorbent for CO2 capture, is developed taken into consideration also the coke deposition. Temperature is shown to be the key parameter of the SE-MSR chemical process at large scales. H2 production is constant and maximum until the saturation of CaO sorbent occurs, after which the concentrations of all the other compounds start to vary, and the efficiency of the process begins to drop. When the exothermic carbonation reaction stops, an alteration of the thermal regimes is observed. The absence of the contribution of the exothermic carbonation reaction results in a decrease of the temperature, which in turn determines a lower conversion of CH4 and H2O, according to the endothermic reforming reactions. The maximum H2 outlet mole fraction (dry basis) is 0.8, and it occurs in the presence of CO2 sorption; the value drops to 0.42 once the adsorbent reaches its maximum conversion degree. The molar selectivity in hydrogen relative to the quantity of CH4 fed to the reactor is of the order of 1.75 (with CO2-capture) and 0.8 (without CO2 capture). The molar fluxes obtained and the kinetics of the system model show the excellent choice of the operating conditions of the catalyst to produce a large quantity of hydrogen as well as of the adsorbent, which eliminates the CO2 responsible of coke deposition.
- Published
- 2021
172. Developing a Graphical Interface for Pre-Posterior Bayesian Analysis
- Author
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Erto, P., Lanzotti, A., Staiano, M., Kitsos, Christos P., editor, and Edler, Lutz, editor
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- 1997
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173. An Example of Data Technology Product: A Control Chart for Weibull Processes
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Erto, Pasquale, Pallotta, Giuliana, and Park, Sung H.
- Published
- 2008
174. Effect of the stearic acid-modified TiO2 on PLA nanocomposites: Morphological and thermal properties at the microscopic scale
- Author
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Amani Deghiche, Alessandro Erto, Seif Eddine Fenni, Dario Cavallo, Yacine Benguerba, Nacerddine Haddaoui, Ali Zerriouh, Deghiche, A., Haddaoui, N., Zerriouh, A., Fenni, S. E., Cavallo, D., Erto, A., and Benguerba, Y.
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Thermogravimetric analysis ,Materials science ,Nanocomposite ,Process Chemistry and Technology ,Titanium oxide TiO ,Density functional theory ,Nanocomposites ,Polylactic acid (PLA) ,QTAIM ,Stearic acid ,2 ,Pollution ,Miscibility ,chemistry.chemical_compound ,Differential scanning calorimetry ,chemistry ,Polylactic acid ,Chemical engineering ,Chemical Engineering (miscellaneous) ,Thermal stability ,Fourier transform infrared spectroscopy ,Waste Management and Disposal - Abstract
In this work, a route is developed to synthesize nanocomposites based on polylactic acid (PLA) and stearic acid-modified TiO2 nanoparticles (TiO2-SA). The nanocomposite is prepared in two steps by solution and melt methods. Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), as well as Thermogravimetric Analysis (TGA) are used to characterize the synthesized materials. Quantum chemical calculations are carried out by means of density functional theory (DFT) calculations, Blends study and AIM analysis, to investigate the role of Stearic Acid (SA) on the nanocomposite PLA/TiO2 at microscopic level. FTIR analysis confirms the functionalization of TiO2 nanoparticles by stearic acid (SA). The DSC results illustrates the overall TiO2 effect in reducing the glass transition temperature Tg (from 58° to 52 °C) and the rise in the crystallinity degree (from 0.19° to 7.18 °C) where the 5% of nanoparticle shows the optimum result. This could be attributed to the fact that TiO2-SA acts as a nucleating agent, as confirmed also by XRD patterns. TGA analysis shows that the thermal stability of PLA decreases by the addition of TiO2-SA and this effect is monothonic with TiO2 content where the 1% nanoparticle shows the most thermally stable formulation. Simulations at atomic level confirmed the dispersion of treated TiO2 in the matrix. In particular, SA plays the role of electron donor with PLA and TiO2, increasing the miscibility between them by a strong hydrogen bond. The main results obtained allow considering SA as a valid option for the functionalization of TiO2 before inclusion in PLA matrix.
- Published
- 2021
175. Advanced interpretation of CO2 adsorption thermodynamics onto porous solids by statistical physics formalism
- Author
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Fatma Aouaini, Abdelmottaleb Ben Lamine, Alessandro Erto, Sarra Wjihi, Marco Balsamo, Wjihi, S., Aouaini, F., Erto, A., Balsamo, M., and Lamine, A. B.
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Exothermic reaction ,Materials science ,General Chemical Engineering ,Thermodynamics ,02 engineering and technology ,010402 general chemistry ,01 natural sciences ,Industrial and Manufacturing Engineering ,Statistical physics model ,Adsorption ,Physisorption ,Environmental Chemistry ,Molecule ,Statistical physics ,Adsorption isotherm ,capture ,Range (particle radiation) ,Sorption ,General Chemistry ,Microporous material ,021001 nanoscience & nanotechnology ,Multilayer adsorption ,0104 chemical sciences ,Volume (thermodynamics) ,CO2 ,0210 nano-technology - Abstract
Three different activated carbons, namely Aquacarb 207EA (AQ), Organosorb-10 (OR-10) and Organosorb-10AA (OR10-AA) are investigated for carbon dioxide (CO2) adsorption from simulated flue-gas, which is one of the promising approaches to mitigate global warming. Adsorption isotherms are determined at three temperatures (303 K, 323 K and 353 K) and over a wide CO2 partial pressure range (0.03–0.3 bar), in a dynamic lab-scale experimental apparatus. Experimental results show that CO2 adsorption capacity is affected by micropore volume, while the chemical properties (mainly pHPZC and acid functional groups) seem to play a secondary role. The CO2 adsorption isotherms are interpreted by three advanced models derived from statistical physics. The selected model allows retrieving useful information about the sorption process by determining the number of captured CO2 molecules per site (nms), the density of receptor sites (Dsr), the total number of adsorbed layers (Nc) and the energetic parameters (−e1) and (−e2). The modeling analysis suggests that the captured CO2 molecules aggregate upon adsorption and are anchored with a perpendicular position on the adsorbents surface. The total numbers of adsorbed layers range from 3.12 to 5.56 for the three adsorption systems, and the value increases with temperature as if the diminution of active sites available for CO2 capture on adsorbent surface was partially counterbalanced by a multilayer adsorption mechanism. The adsorption energies retrieved from data analysis are in the range from −11.39 to −21.10 kJ/mol, confirming that, for the investigated systems, adsorption is exothermic and based on physisorption. Finally, the site energy distribution is also estimated to corroborate the surface heterogeneity and the physical nature of the adsorbate/adsorbent interactions.
- Published
- 2021
176. Interpretation of diclofenac adsorption onto ZnFe2O4/chitosan magnetic composite via BET modified model by using statistical physics formalism
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Alessandro Erto, Samia Yahyaoui, Zichao Li, Mohamed Bouzid, Guilherme Luiz Dotto, Li, Z., Yahyaoui, S., Bouzid, M., Erto, A., and Dotto, G. L.
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ZnFe ,Materials science ,Diclofenac ,Magnetic composite ,Oxide ,02 engineering and technology ,010402 general chemistry ,01 natural sciences ,Chitosan ,Metal ,chemistry.chemical_compound ,Adsorption ,Materials Chemistry ,Molecule ,Statistical physics ,Physical and Theoretical Chemistry ,Spectroscopy ,Hydrogen bond ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,Modified BET model ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Thermodynamic potential ,chitosan magnetic composite ,chemistry ,visual_art ,visual_art.visual_art_medium ,Adsorption modelling ,0210 nano-technology - Abstract
The goal of this work is the study of the adsorption of Diclofenac (DCF) on a magnetic composite made by metal oxide dispersion onto chitosan (ZnFe2O4/CMC). The adsorption isotherms at four temperatures (298, 308,318 and 328 K) and pH = 3 are interpreted in the light of an adsorption model derived from the statistical physics formalism, which includes the calculation of physicochemical parameters with defined physical meaning. Specifically, the adsorption process is interpreted in light of the number of DCF molecules adsorbed per site (n), which increases with temperature, and the density of receptor sites (NM), which shows a similar trend. The values of the calculated adsorption energy (ΔE1 and ΔE2) confirmed that the interaction between the DCF molecules and ZnFe2O4/CMC takes place via physical forces. Overall, the hydrogen bonds are identified as the main bonding interactions of DCF molecules on the ZnFe2O4/CMC surface. Interestingly, thermodynamic potential functions are determined for a complete adsorption characterization, which included also the adsorption energy distribution (AED) determination of DCF adsorption onto the ZnFe2O4/CMC.
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- 2021
177. A strategy for enhancing heat transfer in phase change material-based latent thermal energy storage unit via nano-oxides addition: A study applied to a shell-and-tube heat exchanger
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Magda H. Abdellattif, Byong-Hun Jeon, Atef Chibani, Fouzi Benmoussa, Alessandro Erto, Yacine Benguerba, Slimane Merouani, Chibani, A., Merouani, S., Benmoussa, F., Abdellattif, M. H., Erto, A., Jeon, B. -H., and Benguerba, Y.
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Work (thermodynamics) ,Materials science ,Latent heat thermal energy storage (LTES) ,Process Chemistry and Technology ,Heat transfer enhancement ,Melting proce ,Thermal energy storage ,Pollution ,Phase-change material ,Energy storage ,Latent heat ,Heat transfer ,Heat exchanger ,Chemical Engineering (miscellaneous) ,Phase change material (PCM) ,Nano-PCM ,Composite material ,Waste Management and Disposal ,Shell and tube heat exchanger - Abstract
Due to the scarcity of data on the industrial use of energy storage technology based on material phase change (PCM), a complete computational assessment is done in this work, where a nano-PCM technique is used to enhance the thermal energy storage in a big-scale shell-and-tube heat exchanger. Four high thermal conductive nano-oxides (i.e., Al2O3, MgO, SiO2, and SnO2) are added at various concentrations (1 to 5% v/v) into the PCM (i.e., paraffin RT82). A two-dimensional mathematical model is used to study the produced nano-PCM systems' heat transfer and melting rate. The model accurately predicted the PCM-melting data's observed behavior, showing that it is adequate for simulating PCM problems. The addition of nano-oxides, for up to 5%, in the PCM solid matrix dramatically enhances heat transmission and melting rate during the first melting stage. However, after a long melting period, the melting performance of the nano-PCMs decreased and became equivalent to that of the pure PCM. Furthermore, increasing the concentration of nanoparticles from 1 to 5% did not significantly improve the temperature and liquid fraction evolutions for the four studied nano-PCMs. Therefore, the use of nano-PCMs in the adopted LTES unit can effectively improve heat recuperation and melting rate, but only for a short charging time during which a part (up to 60%) of the PCM's latent heat is recovered. Consequently, the present paper's data is considered a guideline for increasing the efficacy of thermal energy storage in big-scale shell-and-tube heat exchangers using nano-PCM technology.
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- 2021
178. Theoretical interpretation of the adsorption of amoxicillin on activated carbon via physical model
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Abdelmottaleb Ben Lamine, Eder C. Lima, Nilton F.G.M. Cimirro, Amira Yazidi, Alessandro Erto, Zichao Li, Huifeng Wang, Lotfi Sellaoui, Hassan Hanafy, Hanafy, H., Li, Z., Sellaoui, L., Yazidi, A., Wang, H., Lima, E. C., Cimirro, N. F. G. M., Lamine, A. B., and Erto, A.
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Theoretical modelling ,Health, Toxicology and Mutagenesis ,Activated carbon ,010501 environmental sciences ,01 natural sciences ,Water Purification ,Adsorption ,Adsorption mechanism ,Monolayer ,medicine ,Environmental Chemistry ,Adsorption energy ,0105 earth and related environmental sciences ,Kinetic ,Chemistry ,Amoxicillin ,General Medicine ,Pollution ,Chemical engineering ,Charcoal ,Water treatment ,Pyrolysis ,Water Pollutants, Chemical ,medicine.drug - Abstract
The paper describes a theoretical analysis of the adsorption of amoxicillin (AMX) onto two activated carbons pyrolysed at either 600 or 700 °C (PAC-600 and PAC-700). Series of experimental data are carried out at different temperatures ranging from 10 to 45 °C, as this is the first key factor to explain the adsorption mechanism of this pollutant. AMX adsorption capacity varied from 275 to 450 mg/g and between 276 and 454 mg/g for PAC-600 and PAC-700, respectively. It can be deduced that the pyrolysis temperature does not play a crucial role in AMX removal capacity of the adsorbents. A comparison with literature data shows that the retrieved adsorption capacities of both the adsorbents are very competitive for an effective water treatment. Physical models are applied to the two experimental data sets showing that a monolayer model with single energy is the best option to explain the AMX adsorption mechanism on both PAC-600 and PAC-700 adsorbents. The interpretation of the theoretical results points out that the AMX was not aggregated during the adsorption process. Under these experimental working conditions, it is noted that AMX is adsorbed almost via a parallel orientation on PAC-600 and PAC-700 adsorbents, reflecting that the adsorption is a multi-interaction mechanism. The model provides an estimation of the adsorption energy that allows the quantification of the interactions between the AMX and both PAC-600 and PAC-700 adsorbent surfaces; in both the cases, physical bindings are involved in AMX adsorption.
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- 2021
179. Adsorption of ketoprofen and 2- nitrophenol on activated carbon prepared from winery wastes: A combined experimental and theoretical study
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Nathália Favarin, Michael Badawi, Alessandro Erto, Guilherme Luiz Dotto, Zhuqi Chen, Lotfi Sellaoui, Luis F.O. Silva, Jawad K. Ali, Sellaoui, L., Silva, L. F. O., Badawi, M., Ali, J., Favarin, N., Dotto, G. L., Erto, A., and Chen, Z.
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Ketoprofen ,Activated carbon ,2-nitrophenol ,02 engineering and technology ,010402 general chemistry ,01 natural sciences ,Adsorption ,Adsorption mechanism ,Materials Chemistry ,medicine ,Molecule ,Physical and Theoretical Chemistry ,Spectroscopy ,Pollutant ,Double layer (biology) ,Saturation phenomenon ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Chemical engineering ,Adsorption modelling ,0210 nano-technology ,medicine.drug - Abstract
Adsorption of two organic pollutants (2-nitrophenol: 2-NRP and ketoprofen: KTP) on activated carbon produced from wastes deriving from a winery industry is investigated in the paper. Experimental data retrieved at T = 298–328 K indicate that, in the investigated equilibrium concentrations, a saturation phenomenon is reached for ketoprofen, while for 2-nitrophenol steeper curves are observed. For both the adsorbates, an increase in temperature determines a reduction of adsorption capacity. A modelling analysis via statistic physics models demonstrates that a double layer model is perfectly suitable to describe the adsorption mechanisms of both the investigated adsorbates. In light of the number of bonded molecules per adsorption site, the inclination of both the molecules upon adsorption is described. The obtained results suggest that they are adsorbed via both parallel and non parallel orientations, depending on the systems and temperature. Adsorption capacity variation is controlled by the number of bonded molecules per adsorption site and the density of receptor sites. Adsorption energy results show that physical interactions are responsible of the adsorption of both the pollutants. Finally, the results demonstrate that our adsorbent has an outstanding adsorption capacity which makes it promising for water depollution.
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- 2021
180. In silico drug discovery of Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on Quantitative Structure-Activity Relationship (QSAR) and drug-likeness evaluation
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Widad Sobhi, Tarek Lemaoui, Alessandro Erto, Yacine Benguerba, Nour-El-Houda Hammoudi, Ayoub Attoui, Hammoudi, N. -E. -H., Sobhi, W., Attoui, A., Lemaoui, T., Erto, A., and Benguerba, Y.
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Quantitative structure–activity relationship ,010402 general chemistry ,01 natural sciences ,Analytical Chemistry ,Inorganic Chemistry ,chemistry.chemical_compound ,Molecular descriptor ,QSAR models ,Spectroscopy ,Butyrylcholinesterase ,Cholinesterase ,biology ,010405 organic chemistry ,Drug discovery ,Organic Chemistry ,Biological activity ,Acetylcholinesterase ,0104 chemical sciences ,drug-likene ,chemistry ,Biochemistry ,biology.protein ,MLR Model ,Applicability domain - Abstract
In the last years, in order to achieve a better treatment of Alzheimer's disease (AD), much focus has been put on the development of cholinesterase (Acetylcholinesterase and Butyrylcholinesterase) inhibitor drugs. Thus, the aim of this study is to discover promising active compounds for Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on QSAR model and drug-likeness evaluation. In this study, a series of DL0410 and its 50 derivatives are accounted for the set up of two QSAR models. This allows an exploration of the main molecular descriptors that control the inhibitory activity of specific compounds towards cholinesterase enzymes: Acetylcholinesterase (AChE) and Butyrylcholinesterase (BuChE). Simultanerously, the models can help to predict the inhibitory activity of new compounds within its applicability domain. A Multiple Linear Regression (MLR) analysis is carried out to derive QSAR models. The results indicate that the QSAR models of Acetylcholinesterase and Butyrylcholinesterase inhibitory activity are robust and have a very good prediction capacity, testified by values of R2 equal to 0.935 and 0.895, respectively. The analysis carried out by adopting the QSAR models succeed in screening 15 potential compounds with higher biological activity. Subsequently, the investigated compounds has been subjected to the drug-likeness evaluation and reactivity study. The results show that most of the compounds do not present any bioavailability problem when administered orally. The results also allow determining the compounds that have not clearance problems, those that are the most stable and the most reactive among those tested. These findings indicate that the newly designed candidate drugs have promising potential toward AChE and BuChE enzyme inhibition and should be experimentally investigated.
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- 2021
181. Oxidative Scrubber for NOx emission control using NaClO2 aqueous solutions
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Flagiello D., Di Natale F., Erto A., Lancia A., Flagiello, D., Di Natale, F., Erto, A., and Lancia, A.
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Oxidative scrubbing using different oxidizing chemicals (e.g. sodium chlorite, NaClO2) has been proposed since several years for gas emissions control. Although higher performances than conventional after-Treatment process currently in use can be reached, these technologies have not yet found a consolidated application in the power generation and other industrial fields, due to excessive chemical consumption and the formation of some harmful contaminants in the wash water that must be removed with specific treatment systems. This work reports an experimental investigation of an oxidative wet scrubber for NOx removal from a simulated flue-gas containing 1030 ppmv of nitrogen oxides, using a scrubbing liquid doped with sodium chlorite (NaClO2) as oxidizing chemical. The experiments are performed in a packed column operating in countercurrent flow with a constant gas velocity of 1.15 m/s at 60 °C and a liquid-To-gas ratio variable from 1.25 to 4.06 L/m3. The packed column with a DN 100 is equipped with 892 mm of Mellapak 250.X packing. The experimental removal efficiencies of NOx are evaluated in function of the liquid flow rate and NaClO2 loading. These data allow to determine the specific NaClO2 dosage required to achieve a fixed NOx removal. Finally, a predictive correlation for wet oxidative scrubbing is also developed.
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- 2021
182. Layered double hydroxides/biochar composites as adsorbents for water remediation applications: recent trends and perspectives
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José Leandro da Silva Duarte, Pollyanna Vanessa dos Santos Lins, André Ricardo Felkl de Almeida, L. M. T. M. Oliveira, Grazielle Emanuella de Souza dos Santos, Ioannis Anastopoulos, Lucas Meili, Alessandro Erto, Dimitrios A. Giannakoudakis, Elenara Oliveira da Silva, dos Santos, G. E. D. S., Lins, P. V. D. S., Oliveira, L. M. T. D. M., Silva, E. O. D., Anastopoulos, I., Erto, A., Giannakoudakis, D. A., Almeida, A. R. F. D., Duarte, J. L. D. S., and Meili, L.
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Materials science ,020209 energy ,Strategy and Management ,Groundwater remediation ,02 engineering and technology ,engineering.material ,Wastewater ,Industrial and Manufacturing Engineering ,Adsorption ,Carbonaceous material ,Biochar ,0202 electrical engineering, electronic engineering, information engineering ,Composite material ,0505 law ,General Environmental Science ,Pollutant ,Aqueous solution ,Renewable Energy, Sustainability and the Environment ,05 social sciences ,Layered double hydroxides ,Contaminants removal ,Characterization (materials science) ,Layered double hydroxide ,050501 criminology ,engineering ,Sewage treatment ,Clay-like adsorbent - Abstract
Adsorption is an effective technology for wastewater treatment processes. Activated carbons are the adsorbent materials traditionally used in most of the applications but sometimes their use is limited due to the high-cost of synthesis/production and for their partial or difficult regenerability. For these reasons, scientists have turned their interest in synthesizing new and cheaper composites materials with efficient adsorptive properties. In this scenario, layered double hydroxides/biochar composites (LDHs-biochar) have attracted a great interest due to their elevated adsorption performances for a wide spectrum of pollutants, deriving from the synergistic effects arising upon the combination of LDHs with biochar. This review article focuses on the application of LDHs-biochar composites for the removal of pollutants of different nature (i.e. heavy metals, dyes, phosphate, etc.) from aqueous matrixes. Specific emphasis is given to the synthesis and characterization of these materials. Equilibrium and kinetic data are presented together with their modeling analysis and further insights about the thermodynamics of the adsorption are also provided. A specific insight into adsorption mechanisms, including the interpretation of the interactions between the solid matrix and the contaminants, was considered in this review. The review indicated that LDHs-biochar composites are promising materials that can be proficiently applied to wastewater treatment in terms of efficiency and costs demands. However, there is still a need of research efforts in order to establish this class of materials as proficient adsorbents to remove critical contaminants.
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- 2021
183. Theoretical evaluation of the antioxidant activity of some stilbenes using the Density Functional Theory
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Nadia Ouddai, Salima Hamadouche, Marco Balsamo, Ali Ounissi, Yacine Benguerba, Kaouther Baira, Alessandro Erto, Hamadouche, S., Ounissi, A., Baira, K., Ouddai, N., Balsamo, M., Erto, A., and Benguerba, Y.
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Radical ,ETS-NOCV ,010402 general chemistry ,01 natural sciences ,Medicinal chemistry ,DFT ,Analytical Chemistry ,Inorganic Chemistry ,chemistry.chemical_compound ,Electron transfer ,Antioxidant activity ,Solubility ,Benzene ,Hydroxystilbene ,Conformational isomerism ,Spectroscopy ,010405 organic chemistry ,Chemistry ,Organic Chemistry ,BDE(E0) ,Hydrogen atom ,Tautomer ,0104 chemical sciences ,QTAIM ,Density functional theory ,Antioxidant mechanism - Abstract
In this paper, the antiradical potential of trans-2,4,3′,5′-tetrahydroxystilbene (T-OXY), trans-2,3′,4-trihydroxystilbene (T-RES), cis-2,4,1′,3′-tetrahydroxystilbene (C-OXY) and cis-2,1′,4-trihydroxystilbene (C-RES) is investigated by BDE (E0) and ETS-NOCV calculations, in water, benzene, DMSO, and ethanol. The study of solubility by the COSMO-RS model demonstrates that the compounds are very soluble in DMSO. The hydrogen atom transfer (HAT), sequential proton loss electron transfer (SPLET), and single electron transfer followed by proton transfer (SET-PT) mechanisms are explored as possible oxidation paths of these compounds using the DFT calculations at B3LYP/6-311++G(2d,2p) level of theory in DMSO. For all the studied compounds, the HAT was found to be the thermodynamically dominant mechanism, indicating that the investigated compounds can be classified according to their antiradical activity in the following sequence order T-OXY˃T-RES˃C-OXY˃C-RES. The evaluation of ΔHBDE reaction enthalpies, ΔHIP, and ΔHPA linked to the three mechanisms with certain radicals (HO·, HOO·, CH3O· and CH3OO·, NO·, and NO2·) are determined. The results indicate the HAT and SPLET mechanisms are competitive in inhibiting those species. QTAIM calculations reveal the existence of critical points in the two conformers. The Diels-Alder intramolecular cyclization of (C-OXY) leads to two new tautomers: trans-cycle-OXY (T-CYCLE-OXY) and cis-cycle-OXY (C-CYCLE-OXY) with a significant improvement in the antioxidant activity. In conclusion, T-OXY and T-CYCLE-OXY are identified as the best antioxidant candidates among those tested.
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- 2021
184. Cadmium adsorption by coal combustion ashes-based sorbents—Relationship between sorbent properties and adsorption capacity
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Balsamo, Marco, Di Natale, Francesco, Erto, Alessandro, Lancia, Amedeo, Montagnaro, Fabio, and Santoro, Luciano
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- 2011
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185. A modelling analysis of PCE/TCE mixture adsorption based on Ideal Adsorbed Solution Theory
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Erto, A., Lancia, A., and Musmarra, D.
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- 2011
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186. Mercury adsorption on granular activated carbon in aqueous solutions containing nitrates and chlorides
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Di Natale, F., Erto, A., Lancia, A., and Musmarra, D.
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- 2011
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187. A procedure to design a Permeable Adsorptive Barrier (PAB) for contaminated groundwater remediation
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Erto, A., Lancia, A., Bortone, I., Di Nardo, A., Di Natale, M., and Musmarra, D.
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- 2011
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188. Adsorption of Cd (II) on Modified Granular Activated Carbons: Isotherm and Column Study
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Paola Rodríguez-Estupiñán, Alessandro Erto, Liliana Giraldo, and Juan Carlos Moreno-Piraján
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modified activated carbon ,adsorption ,cadmium ,fixed bed column ,oxidation treatment ,kinetic model ,Organic chemistry ,QD241-441 - Abstract
In this work, equilibrium and dynamic adsorption tests of cadmium Cd (II) on activated carbons derived from different oxidation treatments (with either HNO3, H2O2, or NaOCl, corresponding to GACoxN, GACoxP, and GACoxCl samples) are presented. The oxidation treatments determined an increase in the surface functional groups (mainly the acidic ones) and a decrease in the pHPZC (except for the GACoxCl sample). A slight alteration of the textural parameters was also observed, which was more significant for the GACoxCl sample, in terms of a decrease of both Brunauer-Emmett-Teller (BET) surface area and micropore volume. Adsorption isotherms were determined for all the adsorbents and a significant increase in the adsorption performances of the oxidized samples with respect to the parent material was observed. The performances ranking was GACoxCl > GACoxP > GACoxN > GAC, likely due to the chemical surface properties of the adsorbents. Dynamic tests in a fixed bed column were carried out in terms of breakthrough curves at constant Cd inlet concentration and flow rate. GACoxCl and GACoxN showed a significantly higher value of the breakpoint time, likely due to the higher adsorption capacity. Finally, the dynamic tests were analyzed in light of a kinetic model. In the adopted experimental conditions, the results showed that mass transfer is controlled by internal pore diffusion, in which surface diffusion plays a major role.
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- 2017
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189. Dataset of wet desulphurization scrubbing in a column packed with Mellapak 250.X
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Alessandro Erto, Amedeo Lancia, F. Di Natale, Domenico Flagiello, Flagiello, D., Erto, A., Lancia, A., and Di Natale, F.
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Flue-gas desulphurization (FGD) ,Sulfur dioxide (SO ,lcsh:Computer applications to medicine. Medical informatics ,Column (database) ,) ,03 medical and health sciences ,0302 clinical medicine ,Absorption column ,Relative humidity ,Process engineering ,lcsh:Science (General) ,Flue ,Exhaust gas cleaning system (ECGS) ,Data Article ,030304 developmental biology ,0303 health sciences ,Wet scrubber ,Multidisciplinary ,Sulfur dioxide (SO2) ,business.industry ,Structured packing ,Temperature and pressure ,Environmental science ,lcsh:R858-859.7 ,Absorption (chemistry) ,Wet-scrubbers ,business ,Packed tower ,030217 neurology & neurosurgery ,Data scrubbing ,lcsh:Q1-390 - Abstract
Flue-Gas Desulphurization (FGD) is a fundamental process commonly adopted for the treatment of exhausts deriving from both stationary and mobile sources. The removal of SO2 from flue gasses can be made through different technologies and absorption offers the highest versatility for a large spectrum of applications. The data presented in this paper derive from FGD experiments carried out in a pilot wet scrubber equipped with a structured packing (Hastelloy C-22, Mellapak 250.X). The experiments aim to determine the SO2 removal efficiency from a simulated flue-gas in different operating conditions, similar to those observed in common wet FGD processes. Experimental data are reported in terms of gas velocity, concentration of SO2 in the flue-gas, liquid/gas feed ratio, fluids temperature and pressure. The dataset also includes the measurements of several working parameters, i.e. pressure drops in the column, wash water pH, relative humidity of the outlet gas and temperatures of gas and liquid flowing out of the FGD unit. The collection of these data could be useful in future studies and in the analysis of FGD units, also to design/improve large-scale absorption columns with structured packing, using various scrubbing liquids and in different operating conditions.
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- 2020
190. Some tools to control the technological innovation process
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Erto, P., Lanzotti, A., and Kanji, Gopal K., editor
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- 1995
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191. Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review
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Alioui, Oualid, primary, Badawi, Michael, additional, Erto, Alessandro, additional, Amin, Mohammed A., additional, Tirth, Vineet, additional, Jeon, Byong-Hun, additional, Islam, Saiful, additional, Balsamo, Marco, additional, Virginie, Mirella, additional, Ernst, Barbara, additional, and Benguerba, Yacine, additional
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- 2022
- Full Text
- View/download PDF
192. Preparation, characterization and dye adsorption properties of activated olive residue and their novel bio-composite beads: New computational interpretation
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Manel Bergaoui, Mohamed Khalfaoui, Manawwer Alam, Badis Guellou, Mohamed Chaker Belekbir, Rihab Chouk, Alessandro Erto, Krishna Kumar Yadav, Yacine Benguerba, Bergaoui, M., Khalfaoui, M., Alam, M., Guellou, B., Belekbir, M. C., Chouk, R., Erto, A., Yadav, K. K., and Benguerba, Y.
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Molecular dynamic simulation ,Bio-composite bead ,Mechanics of Materials ,Materials Chemistry ,General Materials Science ,Statistical physics ,Low-cost adsorbent ,DFT ,Monte Carlo simulation - Abstract
Preparation, characterization, and application of activated olive residue (ROA) and their novel biocompatible bio-composite beads (ROA/AS) are investigated. The adsorbents are characterized by FTIR, XRD, and SEM and subsequently tested to remove methylene blue (MB) taken as a probe-pollutant. Experimental results show a marked enhancement in the adsorptive removal of MB by ROA/AS bio-composite beads as compared to ROA. When statistical physics theory is used to describe the dye removal process, the best match for experimental adsorption isotherms is a monolayer isotherm model coupled with real gas law (MMRG model). Quantum chemical descriptors including frontier orbital energies (EHOMO and ELUMO), gap energy (ΔE), dipole moment (μ), and Fukui index have also been computed and discussed. All the examined systems' adsorption and interaction energies are estimated using Monte Carlo and molecular dynamics simulations. To summarize, integrated experimental and computational calculations have shown to be unique and robust techniques for in-depth investigations of physical processes such as adsorption, providing crucial insights at the molecular level to elucidate the adsorption mechanism.
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- 2022
193. Risk Analysis for a Contaminated Site in North of Naples (Italy)
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I. Bortone, S. Chianese, A. Erto, A. Di Nardo, M. Di Natale, G.F. Santonastaso, and D. Musmarra
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Chemical engineering ,TP155-156 ,Computer engineering. Computer hardware ,TK7885-7895 - Abstract
Exposure and risk assessment of environmental pollution deriving from releases of chemicals is a compulsory step for the remediation of contaminated sites. A site-specific risk assessment provides a systematic approach to characterise the nature and magnitude of the risks associated with the environmental health hazards, helping to determine the transport of contaminants due to natural processes and, consequently, the areas involved and the specific goals to reduce the exposure to hazardous substances. In this work, the assessment of the exposure and risk related to some pollutants detected into a contaminated site in north of Naples (Italy) is presented. A preliminary detailed characterization highlighted the presence of several heavy metals and organic compounds both into soil and groundwater. Health and environment risks for each pollutant were screened. Results showed that risks related to arsenic and benzo(a)pyrene are the highest in the area compared to the benchmarks screenings for water and soil.
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- 2015
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194. List of contributors
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Abd, Ammar Ali, Ahmed, Syed Readwan, Alam, Shadab, Alfonso-Cardero, Arael, Ángeles, Roxana, Anupoju, Gangagni Rao, Arelli, Vijayalakshmi, Balsamo, Marco, Begum, Sameena, Bin Murad, Abdullah, Chenna, Sumana, Elviliana, Erto, Alessandro, Fisher, John Christopher, García-Depraect, Octavio, Generowicz, Natalia, Gustafsson, Marcus, Juntupally, Sudharshan, Kazempoor, Pejman, Kowalczyk-Juśko, Alina, Kumar, Gopalakrishnan, Lancia, Amedeo, Lebrero, Raquel, Lorenzo-LLanes, Junior, Mamindlapelli, Naveen Kumar, Melville, Lynsey, Muñoz, Raúl, Nakka, Lingaiah, Nayeem, Abdullah, Nelson, Hugh Hart, Nugroho, Wahyunanto Agung, Othman, Mohd Roslee, Pagés-Díaz, Jhosané, Pangestuti, Martasari Beti, Piechota, Grzegorz, Psomopoulos, Constantinos S., Putranto, Angky Wahyu, Rainone, Fabrizio, Rodero, María del Rosario, Rohma, Novita Ainur, Shariffuddin, Jun Haslinda, Suhartini, Sri, Veeremuthu, Ashokkumar, Yarasi, Soujanya, and Yousuf, Abu
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- 2024
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195. Chemical modification of activated carbon monoliths for CO2 adsorption
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Vargas, D. P., Giraldo, L., Erto, A., and Moreno-Piraján, J. C.
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- 2013
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196. Beyond robust design: an example of synergy between statistics and advanced engineering design
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Barone, Stefano, Erto, Pasquale, and Lanzotti, Antonio
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- 2002
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197. Odorous emission reduction from a waste landfill with an optimal protection system based on fuzzy logic
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I. Bortone, Simeone Chianese, Giovanni Francesco Santonastaso, Dino Musmarra, Alessandro Erto, Armando Di Nardo, Michele Di Natale, Di Nardo, A., Bortone, I., Chianese, S., Di Natale, M., Erto, A., Santonastaso, G. F., Musmarra, D., DI NARDO, Armando, Bortone, Immacolata, Chianese, Simeone, Di Natale, Michele, Erto, Alessandro, Santonastaso, Giovanni Francesco, and Musmarra, Dino
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Pollution ,Municipal solid waste ,media_common.quotation_subject ,Health, Toxicology and Mutagenesis ,010501 environmental sciences ,CALPUFF ,Solid Waste ,01 natural sciences ,Fuzzy logic ,Solid waste odour management ,Early warning system ,Environmental Chemistry ,Extraction (military) ,Weather ,Decision support system ,0105 earth and related environmental sciences ,media_common ,Odour perception ,Environmental engineering ,General Medicine ,Fuzzy control system ,Protection system ,Refuse Disposal ,Smell ,Waste Disposal Facilities ,Italy ,Odorants ,Environmental science ,Odour ,Environmental Pollution - Abstract
Effective landfill management and operation require an accurate evaluation of the occurrence and extent of odour emission events, which are among the main causes of resident complaints and concerns, in particular in densely urbanised areas. This paper proposes a fuzzy optimal protection system (FOPS) based on fuzzy logic to manage odour production from a municipal solid waste (MSW) landfill. The case study is a MSW landfill in an old quarry site located 6 km north-west of Naples city centre (Italy). The aim is to reduce the odour nuisance in the area surrounding the landfill where there are several sensitive receptors. FOPS is based on logical relationships between local atmospheric dynamics, number and intensity of odour pollution events detected by certain fixed receptors and odour emission rate via an optimal fuzzy approach. Such system allows to start, in real time, established mitigation actions required to further reduce the odorous emissions from the landfill itself (e.g. spraying of perfumed substances and activation of extraction wells), especially when weather conditions might not be favourable and cause by causing a higher odour perception. The fuzzy system was coupled with the air pollutant transport software CALPUFF to simulate the odour dispersion in the considered area taking into account both different odour emission rates and local weather conditions. FOPS results show that this approach can be very useful as, by measuring the odour concentrations, a significant reduction of the odour exceedances over the thresholds fixed, to minimise the olfactory harassment, was observed in the whole area studied.
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- 2019
198. Waste of Mytella Falcata shells for removal of a triarylmethane biocide from water: Kinetic, equilibrium, regeneration and thermodynamic studies
- Author
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Alessandra Honjo Ide, José Leandro da Silva Duarte, Pollyanna Vanessa dos Santos Lins, Lucas Meili, Alessandro Erto, Daniel Uchoa Quintela, Daniely Carlos Henrique, Quintela, D. U., Henrique, D. C., dos Santos Lins, P. V., Ide, A. H., Erto, A., Duarte, J. L. D. S., and Meili, L.
- Subjects
Biocide ,Scanning electron microscope ,Infrared spectroscopy ,02 engineering and technology ,Wastewater ,01 natural sciences ,Colloid and Surface Chemistry ,Adsorption ,Desorption ,0103 physical sciences ,Spectroscopy, Fourier Transform Infrared ,Regeneration ,Physical and Theoretical Chemistry ,010304 chemical physics ,Chemistry ,Adsorbent regeneration ,Biosorption ,Water ,Surfaces and Interfaces ,General Medicine ,Hydrogen-Ion Concentration ,021001 nanoscience & nanotechnology ,Kinetics ,Chemical engineering ,Chemisorption ,Pharmaceuticals ,Thermodynamics ,Low-cost adsorbent ,0210 nano-technology ,Powder diffraction ,Water Pollutants, Chemical ,Biotechnology ,Disinfectants - Abstract
Waste of Mytella falcata shell was used as low-cost adsorbent to remove the biocide Basic Green 4 (BG4) from water. Shells were collected form trash nearby the lagoon were Mytella falcata is fished. After clean, dry and crushed, the powder was characterized by scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), and X-ray dispersive energy spectroscopy (EDS). Both kinetic and equilibrium adsorption tests are carried out. Adsorbent regenerability was tested during adsorption/desorption cycles, using a UV photo-regeneration process. The maximum adsorption capacity reached 539.24 mg.g-1 (60 °C), which was higher than those retrieved for other materials with similar origin. The kinetic results indicated that the process followed pseudo-second order model. Equilibrium data indicate an increase in BG4 adsorption capacity with temperature and Sips model had better fit for all the investigated temperatures (30, 40, 50 and 60 °C). The regeneration/reuse test indicated that the adsorbent is able to assure a BG4 removal above 70 % during five adsorption/desorption cycles evaluated. Thermodynamic parameters suggested that adsorption is spontaneous, endothermal, governed by chemisorption and with structural changes in the solid surface upon adsorption.
- Published
- 2020
199. Pump-and-treat configurations with vertical and horizontal wells to remediate an aquifer contaminated by hexavalent chromium
- Author
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Giovanni Francesco Santonastaso, Alessandro Erto, I. Bortone, Armando Di Nardo, Dino Musmarra, Simeone Chianese, Bortone, I., Erto, A., Nardo, A. D., Santonastaso, G. F., Chianese, S., Musmarra, D., and Di Nardo, A.
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Chromium ,Horizontal and vertical ,Horizontal wells ,Environmental remediation ,Water Wells ,Groundwater remediation ,0207 environmental engineering ,Aquifer ,02 engineering and technology ,010501 environmental sciences ,Hexavalent chromium ,Horizontal well ,01 natural sciences ,chemistry.chemical_compound ,Environmental Chemistry ,020701 environmental engineering ,Groundwater ,0105 earth and related environmental sciences ,Water Science and Technology ,geography ,geography.geographical_feature_category ,Petroleum engineering ,Computational fluid dynamic (CFD) ,Contamination ,Plume ,chemistry ,Pump and treat ,Environmental science - Abstract
Pump-and-treat technology is among the most used technologies for groundwater remediation. While conventional, vertical wells (VRWs) are well-known and used from long time, horizontal wells (HRWs) have been explored for remediation technologies only in last few decades. HRWs have shown to outperform vertical wells in terms of versatility, productivity and clean-up times under certain conditions. In this paper, the efficacy of an innovative pump-and-treat (P&T) configuration for groundwater remediation obtained by adopting either VRWs or HRWs technology is comparatively tested. A 3D transient finite element model of an unconfined aquifer containing a hexavalent chromium (Cr(VI)) contamination plume is considered to compare a single horizontal well configuration vs a range of spatially-optimised arrays containing vertical wells. A sensitivity analysis aimed at finding the best configuration to minimise the remediation time and the related cost is carried out by comparing different well diameters, D, pumping rates, Q, and position of wells. A comparative cost analysis demonstrates that, for the examined case-study, a single HRW achieves the clean-up goals in the same time span as for a greater number of vertical wells, but at higher price due to the excavation costs.
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- 2020
200. Theoretical study of indigotine blue dye adsorption on CoFe2O4/chitosan magnetic composite via analytical model
- Author
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Xuening Pang, Zichao Li, Abdullah Bajahzar, Mohamed Bouzid, Juliana M.N. dos Santos, Guilherme Luiz Dotto, Alessandro Erto, Mohamed Hichem Gazzah, Hafedh Belmabrouk, Pang, X., Bouzid, M., dos Santos, J. M. N., Gazzah, M. H., Dotto, G. L., Belmabrouk, H., Bajahzar, A., Erto, A., and Li, Z.
- Subjects
Imagination ,Chemical substance ,Materials science ,media_common.quotation_subject ,Configuration entropy ,CoFe ,Thermodynamics ,02 engineering and technology ,010402 general chemistry ,01 natural sciences ,Endothermic process ,law.invention ,Colloid and Surface Chemistry ,Adsorption ,Magazine ,Adsorption mechanism ,law ,Molecule ,media_common ,Indigotine blue dye ,021001 nanoscience & nanotechnology ,Equilibrium modeling ,0104 chemical sciences ,chitosan magnetic composite ,0210 nano-technology ,Science, technology and society - Abstract
An advanced model is applied to analytically explore the adsorption mechanism of Indigotine blue dye (IBD) onto a CoFe2O4/chitosan magnetic composite (CoFe2O4/CMC). Contrary to the classical adsorption models, the model is defined starting from the statistical physics theory and it is a generalized model containing numerous parameters having a defined physical meaning. Experimental evidences based on equilibrium data at four temperatures (298−328 K) are analyzed for a useful analytical interpretation. The analysis of the data via the advanced model indicates that the number of IBD linked per CoFe2O4/CMC active site (n) varied from 3.65 to 3.83, also demonstrating that the orientation (adsorption geometry) of the IBD dye on CoFe2O4/CMC surface is angled and affected by the temperature. Based on these values, it can be deduced that the adsorption mechanism at all the investigated temperatures is a multi-molecular process. It is also demonstrated that an increment in the temperature leads to a positive evolution of the adsorption capacity (Qsat) from 224.81 mg/g at T = 298 K to 289.87 mg/g at T = 328 K, testifying that the adsorption process is overall endothermic. This theoretical evidence is corroborated by the estimation of the adsorption energies ( Δ E 1 a and Δ E 2 a ), which indicated that physical interactions between IBD molecules and the CoFe2O4/CMC receptor sites and among IBD-IBD molecules take place. Finally, three thermodynamic parameters are determined for a further insight into the interpretation of the adsorption mechanism. The adsorption configurational entropy (Sad) evolution allows confirming the occurrence of different adsorbed layers (NC = 1+N2), while the Gibbs adsorption free energy (Gad) confirmed that the process is spontaneous.
- Published
- 2020
Catalog
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