jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: M. Bejarano | Ana Lasheras Estrella | Omaira Márquez | Ana R. Ríos | Marco Rodríguez
Source: NOVASINERGIA REVISTA DIGITAL DE CIENCIA INGENIERÍA Y TECNOLOGÍA (article, 2020-12-01)
Field: Chemistry — Analytical Chemistry

Estudio de la adsorción de los colorantes “Drimaren Amarillo CL-2R” y “Basic Azul Marino 2 RN” en arcillas activadas Las arcillas se han convertido en absorbentes no convencionales debido a su disponibilidad, bajo costo y alta eficacia de absorción de colorante. El objetivo de esta investigación fue estudiar la adsorción de un colorante catiónico "Drimaren Yellow CL-2R" y un colorante aniónico "Basic Navy Blue 2 RN" en tres depósitos naturales de arcilla en el Ecuador localizadas en Cochancay, Santa Clara y Shirahuan. Las arcillas se caracterizaron por espectroscopia de fluorescencia de rayos X y difracción de rayos X. La espectroscopia ultravioleta-visible permitió la cuantificación de los colorantes que quedaban en la solución. Se estudió el pH, el tiempo de contacto del absorbente con el adsorbente, la concentración inicial del colorante y los efectos de la cantidad de arcilla. La eficacia de las tres arcillas en remover el colorante catiónico fue de 95-99% y del colorante aniónico fue de 70%. El modelo isotérmico del Langmuir se ajusta al mecanismo de adsorción de los colorantes catiónicos (R2=0,998), y a los aniónicos (R2=0.977). La arcilla de Shirahuan muestra la mayor capacidad de adsorción de colorantes catiónicos (27.53 mg/g). La arcilla de Cochancay muestra la mayor capacidad de adsorción de colorantes aniónicos (5.81 mg/g). La cinética de adsorción de los colorantes sigue el modelo de "pseudo-segundo orden" para ambos colorantes y sugiere que la tasa de adsorción es proporcional al cuadrado de los sitios de adsorción disponibles. Las arcillas activadas muestran una capacidad de adsorción seis veces mayor eliminando el colorante catiónico que el colorante aniónico de las muestras de agua sintética. Humanities ; Chemistry ; Art Dye analysis and toxicity
Authors: Natalia Menshutina | Igor Lebedev | Evgeniy Lebedev | Andrey Kolnoochenko | Alexander Troyankin | Ratmir R. Dashkin | Michael Shishanov | Pavel Flegontov | Maxim Burdeyniy
Source: Computation (article, 2020-10-10)
Field: Materials Science — Materials Chemistry

Complex Modelling and Design of Catalytic Reactors Using Multiscale Approach—Part 2: Catalytic Reactions Modelling with Cellular Automata Approach The presented work is devoted to reactions of obtaining 4,4’-Diaminodiphenylmethane (MDA) in the presence of a catalyst model. The work describes the importance of studying the MDA obtaining process and the possibility of the cellular automata (CA) approach in the modelling of chemical reactions. The work suggests a CA-model that makes it possible to predict the kinetic curves of the studied MDA-obtaining reaction. The developed model was used to carry out computational experiments under the following different conditions—aniline:formaldehyde:catalyst ratios, stirrer speed, and reaction temperature. The results of computational experiments were compared with the corresponding experimental data. The suggested model was shown to be suitable for predicting MDA-obtaining reaction kinetics. The proposed CA model can be used with the CFD model, suggested in Part 1, allowing the implementation of complex multiscale modeling of a flow catalytic reactor from the molecule level to the level of the entire apparatus. Catalysis ; Cellular automaton ; Work (physics) ; Computational fluid dynamics ; Aniline ; Biological system ; Process (computing) ; Chemistry ; Computer science ; Multiscale modeling ; Thermodynamics ; Process engineering ; Materials science ; Computational chemistry ; Algorithm ; Engineering ; Physics ; Organic chemistry Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Mighfar Syukur | Ahmad Fuad Masduqi
Source: JKPK (Jurnal Kimia dan Pendidikan Kimia) (article, 2020-08-26)
Field: Chemistry — Inorganic Chemistry

Synthesis of Core-Shell Fe3O4/C18/SiO2/[3 (2-Aminoethyl amino) propyl] Trimethoxy Silane and The Study of The Adsorption Kinetics Model of Cu2+ and Cr6+ Ions &lt;p&gt;Synthesis of Core-Shell Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/C18/SiO&lt;sub&gt;2&lt;/sub&gt;/[3 (2-Aminoetil amino) propyl] Trimethoxy silane has been conducted to study its adsorption kinetics of Cu&lt;sup&gt;2+&lt;/sup&gt; and Cr&lt;sup&gt;6+&lt;/sup&gt; ions. Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; synthesis was carried out to form cores that have magnetic properties. The aim of the coating C18/SiO&lt;sub&gt;2&lt;/sub&gt;/[3(2-Aminoetilamino) propyl] trimethoxy silane was to protect these cores from physical degradation due to acids and bases, as well as the application of synthetic materials. The sono-coprecipitation method showed good results under N&lt;sub&gt;2&lt;/sub&gt; gas flow with the results of black crystals. The success of SiO&lt;sub&gt;2&lt;/sub&gt; and [3(2-Aminoethylamino) propyl coatings the transformation of the color showed Trimethoxy silane into brown and weight gain of the synthesis result. Analysis of XRD data showed that little Fe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt; impurities were clarified by FTIR data showing the presence of amine groups from the starting material. The SEM-EDX and TEM showed a spherical shape with a core-shell system. The adsorption kinetics model was studied using two kinetics models for Cu&lt;sup&gt;2+&lt;/sup&gt; and Cr&lt;sup&gt;6+&lt;/sup&gt; ions. The results were demonstrated by the suitability of Cu adsorption to the pseudo order 1, with an adsorption rate of 0.0333 min&lt;sup&gt;-1&lt;/sup&gt;, whereas for Cr corresponded to pseudo order 2 with an adsorption rate of 0.00536 gmM&lt;sup&gt;-1&lt;/sup&gt;min&lt;sup&gt;-1&lt;/sup&gt;.&lt;/p&gt; Kinetics ; Chemistry ; Silane ; Adsorption ; Nuclear chemistry ; Coprecipitation ; Analytical Chemistry (journal) ; Inorganic chemistry ; Physical chemistry ; Organic chemistry Pigment Synthesis and Properties
Authors: Salah Hekmat
Source: Mağallaẗ al-tarbiyaẗ wa-al-ʻilm (article, 2020-06-01)
Field: Chemistry — Organic Chemistry

Thermodynamic and Kinetic Study of Adsorption of Azo Dyes Derived for 4-amino Anti pyrene by Activated Carbon A commercial activated carbon was used for the study of adsorption of two di- azo dyes from aqueous solution employing batch method. These dyes were synthesized in our laboratory from the reaction of 4-amino-antipyrene 4-AAP and β-Naphthol with p-amino phenol and p-amino benzaldehyde via diazonium ions. The effect of pH, temperature, and contact time on dye removal was investigated. The apparent thermodynamic parameters were estimated and the obtained results concluded that, the dyes adsorbed onto activated carbon are driven by entropy effect, exothermic and spontaneous processes. The kinetic study of adsorption of the considered dyes was conducted by applying four models the pseudo-first order, pseudo-second order ,Elovich and intra particules diffusion kinetic models. The results showed that, the second order equation fit better the experimental data. The intra particule diffusion model indicates that, there are more than mechanism<br /> controlling the adsorption process.the adsorption process occurs through more than one mechanical and that the intra particule diffusion model is not the only mechanical that controls the adsorption of systems Studied. Adsorption ; Chemistry ; Aqueous solution ; Diffusion ; Activated carbon ; Benzaldehyde ; Kinetic energy ; Exothermic reaction ; Phenol ; Diazo ; Organic chemistry ; Inorganic chemistry ; Thermodynamics ; Catalysis Synthesis of Tetrazole Derivatives
Authors: Aslı Göçenoğlu Sarıkaya
Source: Polish Journal of Environmental Studies (article, 2020-02-26)
Field: Chemistry — Analytical Chemistry

Adsorptive Removal of Textile Dye Direct Blue 9from Aqueous Solution by Nano-Sized Polymers:Kinetic and Thermodynamic Studies In this study, polymeric nanoparticles were used as an adsorbent to remove the textile dye Direct Blue 9 (DB9) from an aqueous solution. Adsorption capacity of the polymeric nanoparticles were determined in various conditions such as pH, temperature, and dye concentration. Kinetic parameters were also calculated. Optimum initial pH, temperature and equilibrium time were determined as 6.0, 318 K and 90 minutes, respectively. The maximum adsorption capacity of adsorbent and percentage removal of DB9 were detected as 15.49 mg/g and 98.15%, respectively. To clarify the nature of the adsorption process isotherm, thermodynamic and kinetic studies were also performed. The adsorption process obeys the Langmuir isotherm model and pseudo-second order model. Nano- ; Aqueous solution ; Textile ; Polymer ; Kinetic energy ; Chemical engineering ; Chemistry ; Materials science ; Organic chemistry ; Composite material Dye analysis and toxicity ; Adsorption and biosorption for pollutant removal
Authors: S. Chevalier | Jean-Noël Tourvieille | Alain Sommier | Jean‐Christophe Batsale | C. Pradère
Source: Proceedings of the 2020 International Conference on Quantitative InfraRed Thermography (article, 2020-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Microfluidic microcalorimetry of Acid/Base reaction using FTIR Thermospectroscopy imaging Isothermal microcalorimetry ; Fourier transform infrared spectroscopy ; Microfluidics ; Base (topology) ; Chemistry ; Analytical Chemistry (journal) ; Materials science ; Nanotechnology ; Chemical engineering ; Chromatography ; Physics ; Mathematics ; Engineering ; Thermodynamics thermodynamics and calorimetric analyses ; Advanced Chemical Sensor Technologies ; Chemical Thermodynamics and Molecular Structure
Authors: Thiago Vinícius Ribeiro Soeira | Guilherme Barbosa Lopes | Cristiano Poleto | Júlio César de Souza Inácio Gonçalves
Source: Revista Eletrônica em Gestão Educação e Tecnologia Ambiental (article, 2020-12-04)
Field: Materials Science — Materials Chemistry

Quantitative characterization of volume of cavities in hydrodynamic cavitation device using computational fluid dynamics Hydrodynamic cavitation has been extensively studied for its potential to remove emerging pollutants. Despite the advance of the experimental studies involving this phenomenon, computational studies that evaluate the influence of the geometry of the cavitation devices on the flow parameters are still necessary. The purpose of this article was to evaluate the influence of the change in the geometry of a Venturi device on the volume of cavities formed in its divergent section using Computational Fluid Dynamics (CFD). The geometric parameters modified in the Venturi were: the diffuser angle and the relation between the height and the width of the throat (h/w). The volume of cavities is an important parameter because it influences the cavitation intensity. A cavitational bench system was constructed in order to obtain input data for simulation. The results showed that the increase in the diffuser angle from 6.5° to 18.5° gradually reduced the volume of cavities from 93 mm3 to 10 mm3. Between the relations h/w = 0.05 and h/w = 0.45 was observed the formation of cavities between 106 mm3 and 77 mm3, however between h/w = 0.45 and h/w = 1.0 there was the formation of 213 mm3. Therefore, Venturi’s with diffuser angle less than 6.5º and relation h/w greater than 0.45 produce greater volume of cavities. The greater volume of cavities will not necessarily produce greater cavitational intensity, since cavitation clouds can be formed and reduce the implosion intensity of the cavitation bubbles. Venturi effect ; Cavitation ; Diffuser (optics) ; Computational fluid dynamics ; Mechanics ; Volume (thermodynamics) ; Materials science ; Intensity (physics) ; Volume of fluid method ; Flow (mathematics) ; Thermodynamics ; Optics ; Mechanical engineering ; Physics ; Engineering ; Inlet Ultrasound and Cavitation Phenomena ; Cavitation Phenomena in Pumps ; Combustion and Detonation Processes
Authors: Andris Rambaks | Filipp Kratschun | Carsten Flake | Maren Messirek | Katharina Schmitz | Hubertus Murrenhoff
Source:  (article, 2020-06-25)
Field: Chemistry — Organic Chemistry

Computational approach to the experimental determination of diffusion coefficients for oxygen and nitrogen in hydraulic fluids using the pressure-decay method In the presented paper, the applicability of pressure-decay methods to determine the diffusivities of gases in hydraulic fluids is analysed. First, the method is described in detail and compared to other measurement methods. Secondly, the thermodynamics and the mass transfer process of the system are studied. This results in four different thermodynamic models of the gaseous phase in combination with two diffusion models. Thirdly, the influence of the models on the pressure-decay method is evaluated computationally by examining the diffusion process of air in water as all system parameters are available from literature. It is shown that ordinary pressure-decay methods are not applicable to gas mixtures like air and therefore a new method for calculating the diffusivities is suggested. Thermodynamics ; Diffusion ; Mass transfer ; Process (computing) ; Diffusion process ; Nitrogen ; Chemistry ; Oxygen ; Mechanics ; Materials science ; Physics ; Computer science Chemical Thermodynamics and Molecular Structure ; Phase Equilibria and Thermodynamics ; Gas Dynamics and Kinetic Theory
Authors: Santhy P. Kuruvilla | N. M. Renukappa
Source: International Journal of Engineering and Advanced Technology (article, 2020-02-28)
Field: Materials Science — Materials Chemistry

Role of Micro and Nano Filler Combination in Hydrophobic Recovery of Glass Fiber Reinforced Epoxy Composites under Various Contaminants Use as outdoor insulators in high voltage power transmission is a potential application of epoxy composites. Vulnerability of these insulators to various stresses when exposed to external environment, limit their potential. Better pollution performance in hostile environments can be achieved in these composites by using nano and micro combination of fillers. This paper discusses the merits of using combination of micro and nano fillers consisting of silica, alumina, ATH, CaCO3 and MgO in glass epoxy to demonstrate that they serve a better alternative to the conventional glass epoxy composite insulation systems. Extensive investigations have been carried out on hydrophobic recovery of these composites for understanding their pollution performance under various contaminants such as NaCl, seawater, acid and cement. The addition of filler combinations to glass epoxy enhanced the hydrophobic properties of the composites compared to the glass epoxy without fillers. The results revealed that the composite with MgO filler showed 37% increase in contact angle in as-cast form compared to contact angle of epoxy without fillers. Epoxy ; Composite material ; Materials science ; Filler (materials) ; Composite number ; Composite epoxy material ; Glass fiber ; Contact angle High voltage insulation and dielectric phenomena ; Polymer Nanocomposites and Properties ; Aerosol Filtration and Electrostatic Precipitation
Authors: Timoléon Andzi Barhe | Ange Brel Boukongou | Lubanza Ngoma | P. Ongoka | W Chu | C Fernendes | V Lalithu | K Kao | S Nimrat | P Sawangchit | Vuthiphandchai | Asmaa Bennani | Karim | Badia Mounir | Mohsine Hachkar | Mina Bakasse | Abdelghani Yaacoubi | A Tabrez | Sangeeta Sharma | Imran Ali | H Lin | Sheng | G Vijayakumar | R Tamilarasan | M Dharmendirakumar | H | Sameer Kareem | Enaas Abd-Al-Hussien | C Theivarasu | S Mylsamy | P Kifuani | D Mukana | A Henderson | T Schmitt | T Heinze | C Cerniglia | N Ababou | D Meziane | A Kherbeche | A Chaqroune | A Aarfane | A Salhi | M Krati | Rajashree Kobiraj | Neha Gupta | Atul Kumar Kushwaha | M Chattopdhyaya | C Creang | O Ekpete | J Horsfall | T Tarawou | N Granados-Correa | M Corral-Capulin | Acosta-Leon Olguin | S Lagergreen
Source: Journal of Chemical Biological and Physical Sciences (article, 2020-11-28)
Field: Chemistry — Spectroscopy

Characterization of activated carbon prepared from lignocellulosic Materials and Kinetic Study of the adsorption of Rhodamine B In this article, an attempt has been made for the valorization of a natural lignocellulosic residue in activated carbon and its use for the elimination of Rhodamine B (RB).Two types of activated carbon are prepared. The first is obtained after impregnation with Zinc Chloride (ZnCl2, 85%) (CA1) and the second with phosphoric acid (H3PO4, 98%) (CA2). The two active carbons were characterized and subjected to RB adsorption tests, in aqueous phase and in batch mode at a temperature 26 1C. Langmuir and Freundlich models as well as kinetic models were used to describe the type of adsorption and kinetics. The characterization results showed that CA1 has a more developed specific surface compared to CA2, the pore size of two materials is between 2 and 50 nm. Impregnation with phosphoric acid favored the formation of carboxylic acid groups more than the acid functions of lactone or phenol type, unlike Zinc Chloride (ZnCl2). The Adsorption tests have shown that activated carbon impregnated with zinc chloride adsorbs Rhodamine (RB) better than that impregnated with phosphoric acid. The pH used for maximum adsorption is 4, with values of 16.364 and 7.772 mg/g respectively for CA1 and CA2. The results show that the kinetics of adsorption on Rhodamine (RB) is described by the second order model. Kinetic models show that the correlation coefficient of the pseudo second order is better for CA1, while that of the pseudo first order is better for CA2. This shows that chemisorption is dominant for CA1 and physisorption is dominant for CA2. Rhodamine B ; Adsorption ; Activated carbon ; Characterization (materials science) ; Kinetic energy ; Chemical engineering ; Chemistry ; Materials science ; Nuclear chemistry ; Organic chemistry ; Catalysis ; Nanotechnology ; Engineering Adsorption, diffusion, and thermodynamic properties of materials
Authors: Bernardo Patella | Benjamin O’Sullivan | Robert J. Daly | Pierre Lovera | Rosslinda Inguanta | Alan O’Riordan
Source: ChemRxiv (preprint, 2020-07-31)
Field: Chemistry — Electrochemistry

Simultaneous Detection of Copper, Lead and Mercury in River Water with In-Situ pH Control Using Electrochemical Stripping Techniques An electrochemical sensor for the detection of lead, mercury and copper in neutral solutions is described. The electrode is made of two distinct parallel gold interdigitated microband electrodes that can be polarized separately. Biasing one electrode “protonator” sufficiently positive to begin water electrolysis, results in the production of H+ ions which consequently drops the pH in the locality around the other second interdigitated “sensing” electrode. This decrease in pH permits the electodeposition (and consequent stripping) of metals at the sensing electrode without the need to acidify the whole test solution. In this work, the local pH can be adjusted from 1 to 7 in a stable and reproducible way by tailoring the applied potential to the protonator electrode. Using this approach, linear ranges for lead 10-100 ppb, copper 5-100 ppb and mercury 1-75 ppb, respectively were demonstrated which exhibit extremely high sensitivity. This technique allowed detection of these metals in a complex water matrix (river water) without sample pretreatment, with excellent results. The electrode reproducibility is high (RSD < 10%) and the metals can be co-detected when present all together. This is the first demonstration of the in-situ pH control for heavy metal detection using solid state sensors and will unable real time and in situ analysis of heavy metals by unskilled personnel in remote settings. Electrode ; Mercury (programming language) ; Copper ; Stripping (fiber) ; Analytical Chemistry (journal) ; Electrochemistry ; Anodic stripping voltammetry ; In situ ; Electrolysis ; Dropping mercury electrode ; Detection limit ; Chemistry ; Materials science ; Inorganic chemistry ; Environmental chemistry ; Electrolyte ; Metallurgy ; Chromatography Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Advanced Chemical Sensor Technologies
Authors: Mohamed Nagar S
Source: Journal of Engineering and Applied Sciences Technology (article, 2020-12-31)
Field: Chemistry — Inorganic Chemistry

Capability of Uranium Heap Leaching From Gattar and El Missikat Area, Eastern Desert, Egypt: A Kinetic Approach Detailed studies of uranium heap leaching from different uranium mineralization resources situated in Eastern Desert of Egypt were investigated using sulfuric acid via batch experiments, followed by using the obtained optimum condition on bench scale leaching tests using small column. The previous optimum parameters were implemented on another large scale column in order to make more condition control and evaluate the time and reagents needed while transferring from small to large scale. The obtained data shows that leaching efficiency of GII mineralization attained about 78.3% with consumed acid amount about 34 kg/ton in a 44 days as leaching time, on the other hand, leaching efficiency of uranium from El-Missikat mineralization higher than GII mineralization and attained about 86.6% and the consumed as lower than G-II about 28kg/ton in a 40 days leaching time. Kinetics reaction models of column tests have been investigated to optimize the column leaching behavior. Based on the leaching results of the two mineralized occurrences, the rate of the uranium dissolution is controlled by both the chemical reaction and the diffusion reaction but diffusion reaction control was more predominate than a chemical reaction. Heap leaching ; Leaching (pedology) ; Uranium ; Dissolution ; Mineralization (soil science) ; Sulfuric acid ; Chemistry ; Reagent ; Environmental science ; Mineralogy ; Metallurgy ; Soil science ; Materials science ; Inorganic chemistry Radioactive element chemistry and processing ; Mine drainage and remediation techniques ; CO2 Sequestration and Geologic Interactions
Authors: Andrzej Kucharczyk | Kamil Pawlik
Source: Preprints.org (preprint, 2020-11-19)
Field: Materials Science — Polymers and Plastics

Model of Moisture Transport in Wood, Taking Into Account Diffusion and the Accompanying Adsorption of Water Vapour Through the Skeleton The paper presents a model of moisture transport in wood taking into account diffusion and the accompanying adsorption of water vapour through the skeleton. A two-parameter form of the source term was proposed, depending on the distance of the current mass concentration of bound water from the equilibrium state. The tests on cubic samples with a side of 2 cm were carried out which allowed to determine the coefficients of the proposed model on the basis of the reverse method. The tests were performed for pine, larch, oak and ash in all directions of orthotropy. Also the tests on thin samples were performed to verify the source term. Moisture ; Diffusion ; Larch ; Adsorption ; Equilibrium moisture content ; Water vapor ; Skeleton (computer programming) ; Materials science ; Softwood ; Basis (linear algebra) ; Thermodynamics ; Mechanics ; Environmental science ; Chemistry ; Composite material ; Mathematics ; Computer science ; Physics ; Geometry ; Physical chemistry ; Sorption ; Organic chemistry ; Botany Textile materials and evaluations ; Mechanical and Thermal Properties Analysis ; Wood Treatment and Properties