jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sultan Alam | Imran Badshah | Shahid Nawaz Khan | Luqman Ali Shah | Muhammad Zahoor | Muhammad Umar | Riaz Ullah | Essam A. Ali
Source: Heliyon (article, 2024-02-01)
Field: Chemistry — Organic Chemistry

Synthesis and characterization of copper nanoparticle-based hydrogel and its applications in catalytic reduction and adsorption of basic blue 3 Most of the dyes used in various industries are non-biodegradable and carcinogenic in nature. Therefore, elimination of dyes from textile wastes is mandatory to safeguard the life of human, aquatic animals and aquatic plants. In this connection an effective and eco-friendly hydrogel was synthesized from acrylamide, cellulose, clay, and copper salt abbreviated as AMPS(PHE-Ce)/MC-Cu. The fabricated hydrogel was used as sorbent and catalyst for the adsorption and catalytic reduction of basic blue 3. SEM analysis showed granular texture with small holes or cracks which is basic criteria for an adsorbent surface. The results showed that the BET surface area and the Langmuir surface area were, respectively, 27.87 and 40.32 m<sup>2</sup>/g. The FTIR analysis confirmed the synthesis of hydrogel, as is evident from peaks at 3500, 3439, 2996, 2414, and 1650 cm<sup>-1</sup>, which indicated the presence of OH or NH, -C-O-C-, CH<sub>3,</sub> (C[bond, double bond]O), C-N bonds correspondingly. Thermal stability was confirmed by TGA analysis where weight loss in three stages has been observed. The presence of copper was confirmed through EDX (5.02%) indicating the incorporation of cupper nanoparticles in hydrogel surface. The high adsorption capability of 1590 mg/g as recorded for basic blue-3 dye indicates it to be an efficient adsorbent. The swelling behavior characterized by Fickian diffusion up to 7898% clearly indicated significant swelling. Pseudo 2nd-order kinetics and the Langmuir isotherm models were more fit in unfolding kinetics and isothermal data indicating chemisorption with monolayer sorption as evident from the high R<sup>2</sup> values (0.999) of each model. Thermodynamics considerations indicated that the adsorption process is endothermic with a positive enthalpy value of 1371.32 Jmol<sup>-1</sup>. The positive entropy value of 19.70 J/mol.K signifies a higher degree of disorder at the solid-liquid interface. The findings provided a valuable insights into the hydrogel's capacity to adsorb cationic dyes and reduce them catalytically, pointing towards its potential applications in addressing environmental challenges. Copper ; Nanoparticle ; Characterization (materials science) ; Adsorption ; Nanotechnology ; Catalysis ; Materials science ; Reduction (mathematics) ; Chemical engineering ; Chemistry ; Organic chemistry ; Metallurgy ; Engineering Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Yongping Shan | Huijuan Hao | Yuzhou Yin | Naiwen Hu | Mingxiu Zhan | Dong Ma | Yongguang Yin | Wentao Jiao | Lukas Y. Wick
Source: Environmental Science & Technology (article, 2024-03-20)
Field: Chemistry — Physical and Theoretical Chemistry

Effects of Temperature and DC Electric Fields on Perfluorooctanoic Acid Sorption Kinetics to Activated Carbon Sorption to activated carbon is a common approach to reducing environmental risks of waterborne perfluorooctanoic acid (PFOA), while effective and flexible approaches to PFOA sorption are needed. Variations in temperature or the use of electrokinetic phenomena (electroosmosis and electromigration) in the presence of external DC electric fields have been shown to alter the contaminant sorption of contaminants. Their role in PFOA sorption, however, remains unclear. Here, we investigated the joint effects of DC electric fields and the temperature on the sorption of PFOA on activated carbon. Temperature-dependent batch and column sorption experiments were performed in the presence and absence of DC fields, and the results were evaluated by using different kinetic sorption models. We found an emerging interplay of DC and temperature on PFOA sorption, which was linked via the liquid viscosity (η) of the electrolyte. For instance, the combined presence of a DC field and low temperature increased the PFOA loading up to 38% in 48 h relative to DC-free controls. We further developed a model that allowed us to predict temperature- and DC field strength-dependent electrokinetic benefits on the drivers of PFOA sorption kinetics (i.e., intraparticle diffusivity and the film mass transfer coefficient). Our insights may give rise to future DC- and temperature-driven applications for PFOA sorption, for instance, in response to fluctuating PFOA concentrations in contaminated water streams. Sorption ; Perfluorooctanoic acid ; Chemistry ; Electromigration ; Environmental chemistry ; Electrokinetic phenomena ; Electrolyte ; Kinetics ; Diffusion ; Activated carbon ; Desorption ; Thermal diffusivity ; Chemical engineering ; Analytical Chemistry (journal) ; Thermodynamics ; Materials science ; Adsorption ; Organic chemistry ; Physical chemistry ; Electrode Electrostatics and Colloid Interactions ; Membrane Separation Technologies ; Nanopore and Nanochannel Transport Studies
Authors: Bachir Yaou Balarabe | Primerose Bomokayi | Irédon Adjama | Abdoulkadri Ayouba Mahamane | Michael O. Daramola | Samuel A. Iwarere
Source: Nanotechnology for Environmental Engineering (article, 2024-04-20)
Field: Chemistry — Organic Chemistry

Unlocking the magnetic potential of Fe2O3 nanoparticles by single-step synthesis of cobalt-infused nanomaterials for chromium removal Abstract The study optimized the chromium removal capacity of Fe 2 O 3 nanoparticles through the infusion of cobalt using a single-step synthesis method. This approach not only enhanced their magnetic properties but also employs less-chemical synthesis techniques, ultimately yielding highly magnetic CoFe 2 O 4 nanoparticles and less impurities. The prepared materials underwent comprehensive testing, encompassing examinations of their optical properties, structure, chemical composition, and surface characteristics using various analyticals methods. In a span of 90 min under visible light exposure, CoFe 2 O 4 nanoparticles exhibit the ability to remove more that 90% of chromium. This was corroborated through analysis using Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES). Moreover, the study illustrates that increased temperatures amplify the endothermic process of chromium adsorption. Positive ΔH°, negative ΔS°, and heightened Cr(IV) adsorption are linked to the temperature effects on solubility, mobility, and dissolved oxygen. Both Langmuir (R 2 = 0.95, R L = 0.055) and Freundlich models (R 2 = 0.98, n = 0.69) suggest favorable adsorption. The efficient Cr(IV) adsorption by CoFe 2 O 4 nanocomposite is attributed to a rapid reaction rate and substantial capacity, following pseudo-second order kinetics (rate constant 0.01 g mg −1 min −1 , R 2 = 0.99). Graphical abstract Cobalt ; Nanomaterials ; Chromium ; Nanoparticle ; Nanotechnology ; Magnetic nanoparticles ; Materials science ; Chemical engineering ; Chemistry ; Metallurgy ; Engineering Nanomaterials for catalytic reactions ; Iron oxide chemistry and applications ; Adsorption and biosorption for pollutant removal
Authors: Mohamed Achraf Bouicha | Soukaina Hrichi | Raja Chaâbane-Banaoues | Houcine Ghalla | Mouhieddine Guergueb | Hamouda Babba | Thierry Roisnel | Habib Nasri
Source: Journal of Molecular Structure (article, 2024-01-31)
Field: Materials Science — Materials Chemistry

Spectroscopic, X-ray structure, radical scavenging and in vitro antifungal activities and catalytic degradation of methyl orange dye investigation of the Meso-tetrakis(p-tolyl) diprotonated porphyrin Chemistry ; Porphyrin ; Scavenging ; Antifungal ; Methyl orange ; Photochemistry ; Catalysis ; Degradation (telecommunications) ; In vitro ; Orange (colour) ; Organic chemistry ; Biochemistry ; Antioxidant ; Photocatalysis ; Microbiology Porphyrin and Phthalocyanine Chemistry ; Photochemistry and Electron Transfer Studies ; Free Radicals and Antioxidants
Authors: Tamara Tasić | Vedran Milanković | Christoph Unterweger | Christian Fürst | Stefan Breitenbach | Igor A. Pašti | Tamara Lazarević‐Pašti
Source: C – Journal of Carbon Research (article, 2024-06-27)
Field: Materials Science — Materials Chemistry

Highly Porous Cellulose-Based Carbon Fibers as Effective Adsorbents for Chlorpyrifos Removal: Insights and Applications The extensive utilization of the organophosphate pesticide chlorpyrifos, combined with its acute neurotoxicity, necessitates the development of effective strategies for its environmental removal. While numerous methods have been explored for chlorpyrifos removal from water, adsorption is the most promising. We investigated the potential of two cellulose-derived porous carbons as adsorbents for chlorpyrifos removal from water, prepared by either CO2 or H2O activation, resulting in similar morphologies and porosities but different amounts of heteroatom functionalities. The kinetics of batch adsorption removal from water fits well with the pseudo-first-order and pseudo-second-order kinetic models for both materials. The Freundlich, Langmuir, Dubinin–Radushkevich, and Sips isotherm models described the process of chlorpyrifos adsorption very well in all investigated cases. The maximum adsorption capacity determined from the Sips isotherm model gave values of 80.8 ± 0.1 mg g−1 and 132 ± 3 mg g−1 for the H2O and CO2 activated samples, respectively, reflecting the samples’ differences in heteroatom functionalities. Additionally, the application of either adsorbent led to reduced toxicity levels in all tested samples, implying that no harmful by-products were generated during adsorption. Comparative analysis with the existing literature further validates the study’s findings, suggesting the efficacy and applicability of cellulose-based porous carbons for sustainable chlorpyrifos remediation. Adsorption ; Cellulose ; Chlorpyrifos ; Freundlich equation ; Chemistry ; Chemical engineering ; Porosity ; Langmuir ; Activated carbon ; Environmental chemistry ; Organic chemistry ; Chromatography ; Pesticide Carbon and Quantum Dots Applications ; Adsorption and biosorption for pollutant removal ; Covalent Organic Framework Applications
Authors: Álvaro de Jesús Ruíz-Baltazar | Simón Yobanny Reyes‐López | Néstor Méndez‐Lozano | Nahúm Andrés Medellín-Castillo | R. Pérez
Source: Nanomaterials (article, 2024-01-25)
Field: Chemistry — Organic Chemistry

Sustainable Zeolite–Silver Nanocomposites via Green Methods for Water Contaminant Mitigation and Modeling Approaches This study explores cutting-edge and sustainable green methodologies and technologies for the synthesis of functional nanomaterials, with a specific focus on the removal of water contaminants and the application of kinetic adsorption models. Our research adopts a conscientious approach to environmental stewardship by synergistically employing eco-friendly silver nanoparticles, synthesized using <i>Justicia spicigera</i> extract as a biogenic reducing agent, in conjunction with Mexican zeolite to enhance contaminant remediation, particularly targeting Cu<sup>2+</sup> ions. Structural analysis, utilizing X-ray diffraction (XRD) and high-resolution scanning and transmission electron microscopy (TEM and SEM), yields crucial insights into nanocomposite structure and morphology. Rigorous linear and non-linear kinetic models, encompassing pseudo-first order, pseudo-second order, Freundlich, and Langmuir, are employed to elucidate the kinetics and equilibrium behaviors of adsorption. The results underscore the remarkable efficiency of the Zeolite-Ag composite in Cu<sup>2+</sup> ion removal, surpassing traditional materials and achieving an impressive adsorption rate of 98% for Cu. Furthermore, the Zeolite-Ag composite exhibits maximum adsorption times of 480 min. In the computational analysis, an initial mechanism for Cu<sup>2+</sup> adsorption on zeolites is identified. The process involves rapid adsorption onto the surface of the Zeolite-Ag NP composite, followed by a gradual diffusion of ions into the cavities within the zeolite structure. Upon reaching equilibrium, a substantial reduction in copper ion concentration in the solution signifies successful removal. This research represents a noteworthy stride in sustainable contaminant removal, aligning with eco-friendly practices and supporting the potential integration of this technology into environmental applications. Consequently, it presents a promising solution for eco-conscious contaminant remediation, emphasizing the utilization of green methodologies and sustainable technologies in the development of functional nanomaterials. Zeolite ; Adsorption ; Freundlich equation ; Nanocomposite ; Materials science ; Chemical engineering ; Langmuir ; Nanomaterials ; Nanotechnology ; Langmuir adsorption model ; Chemistry ; Organic chemistry ; Catalysis Nanomaterials for catalytic reactions ; Nanoparticles: synthesis and applications ; Environmental remediation with nanomaterials
Authors: Nikita S. Dutta | Peter J. Weddle | Oscar Hathaway | Mowafak Al‐Jassim | Katherine Jungjohann
Source: ACS Energy Letters (article, 2024-05-01)
Field: Chemistry — Electrochemistry

Ion Depletion Microenvironments Mapped at Active Electrochemical Interfaces with <i>Operando</i> Freezing Cryo-Electron Microscopy Interfacial structural and chemical evolution underpins safety, energy density, and lifetime in batteries and other electrochemical systems. During lithium electrodeposition, local nonequilibrium conditions can arise that promote heterogeneous lithium morphologies but are challenging to directly study, particularly at the nanoscale. Here we map chemical microenvironments at the active copper/electrolyte interface during lithium electrodeposition, presenting <i>operando</i> freezing cryogenic electron microscopy (cryo-EM), a new method, to lock in structures arising in coin cells. We find local ion depletion is correlated with lithium whiskers but not planar lithium, and we hypothesize that depletion stems from root-growing whiskers consuming ions at the growth interface while also restricting ion transport through local electrolyte. This can allow dangerous lithium morphologies to propagate, even in concentrated electrolytes, as ion depletion favors dendritic growth. <i>Operando</i> freezing cryo-EM thus reveals local microenvironments at active electrochemical interfaces to enable direct investigation of site-specific, nonequilibrium conditions that arise during operation of energy devices. Ion ; Electrochemistry ; Cryo-electron microscopy ; Electron microscope ; Materials science ; Microscopy ; Scanning electrochemical microscopy ; Nanotechnology ; Chemistry ; Chemical engineering ; Physics ; Electrode ; Optics ; Physical chemistry Electrochemical Analysis and Applications ; Advancements in Battery Materials ; Conducting polymers and applications
Authors: Lorenzo Merlonghi | Omar Atiq | Riccardo Rea | Enzo Mangano | Alexander Stroeks | Marco Giacinti Baschetti | María Grazia De Angelis
Source: International Journal of Hydrogen Energy (article, 2024-10-01)
Field: Materials Science — Polymers and Plastics

An experimental study of hydrogen sorption and permeation in high-performance polyamides Semicrystalline polyamides (PAs) are optimal materials to develop high-pressure resistant liners for type IV hydrogen storage tanks due to a favorable combination of barrier performance, mechanical resistance, and lightness. However, experimental data on hydrogen transport in PAs are incomplete or inconsistent, and usually do not report separately the contributions of solubility and diffusivity, hence limiting a deep understanding of the permeation mechanism and its dependence on the material structure. Moreover, recent developments have led to the design of modified polyamides which could better serve the high-pressure storage applications. In this work, the hydrogen barrier performance of Polyamide 6 (PA6), Polyamide 11 (PA11) and an impact-modified PA 6 (PA6-I), was evaluated and the results obtained with different techniques and on different samples compared. Permeation measurements were performed in constant-volume and constant-pressure apparatuses at different temperatures and pressures, on different samples of each material. Sorption measurements were carried out into a differential sorption system. Results from the permeation and sorption devices were compared against each other and with literature data, allowing to understand the effect of various factors. The H 2 solubility in PA is mostly affected by density, as a lower free volume of the amorphous phase leads to a lower gas uptake. On the other hand, diffusivity and, consequently, permeability, are also strongly affected by the morphology of the crystal phase, which depends on the production protocol. In most of the cases inspected, the discrepancy between data from different experimental techniques or literature works can be explained by the different crystal morphology of the samples used in the test. Temperature enhances diffusivity, permeability and solubility, while the pressure reduces the permeability, as it lowers the free volume, and increases the activation energy of permeation. An estimation of the minimum thickness required to meet high-pressure storage technical guidelines was provided for the case of PA6-I. • H 2 sorption and transport in commercial polyamides (PA6, PA6I, and PA11) was tested. • Three techniques were compared: sorption, permeation and high-pressure permeation. • Different temperatures up to 80 °C and pressures up to 700 bar were studied. • Experimental data are in agreement and differences were properly motivated. • PA6 is the best material and a minimum thickness to meet EU 406/2010 was determined. Sorption ; Permeation ; Polyamide ; Hydrogen ; Chemistry ; Chemical engineering ; Chromatography ; Polymer chemistry ; Organic chemistry ; Membrane ; Engineering ; Adsorption ; Biochemistry Polymer crystallization and properties ; Fuel Cells and Related Materials ; Fiber-reinforced polymer composites
Authors: Zi Hao Foo | Akshay Deshmukh | Aaron D. Wilson | John H. Lienhard
Source: Chemical Engineering Journal (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Harnessing dimethyl ether with ultra-low-grade heat for scaling-resistant brine concentration and fractional crystallization Crystallization ; Brine ; Scaling ; Dimethyl ether ; Chemical engineering ; Ether ; Chemistry ; Materials science ; Thermodynamics ; Organic chemistry ; Engineering ; Physics ; Mathematics ; Methanol Crystallization and Solubility Studies ; Calcium Carbonate Crystallization and Inhibition ; Freezing and Crystallization Processes
Authors: Nataliia Reinders | Jana Luxová | Žaneta Dohnalová | Petra Šulcová
Source: Adsorption (article, 2024-04-07)
Field: Materials Science — Materials Chemistry

Exploring Ca and Sr stannate perovskites as adsorbents for Congo Red removal Abstract Organic azo-dyes, including Congo Red, present a significant environmental concern due to their widespread industrial usage and resistance to biodegradation, leading to severe contamination of effluents. This study explores the efficacy of two basic perovskites (MSnO 3 , where M = Ca and Sr) in removing Congo Red by adsorption, offering a potential solution for wastewater treatment. The synthesis of the adsorbents was performed by a coprecipitation technique, an effective and no-waste producing method. By adjusting reaction conditions, the physical-chemical characteristics of the perovskites, including crystallinity, morphological features, surface area and porosity, were controlled. Adsorption studies conducted across a range of Congo Red concentrations (10–100 mg L − 1 ) at pH 10 revealed MSnO 3 to possess exceptional adsorption capacity exceeding 100 mg per gram. The results indicate irreversible adsorption and potential adsorbent regeneration by thermal treatment. Slow kinetics also suggest strong binding forces aligned with the fundamentals of pseudo-second-order adsorption kinetic model. Regarding the impact of the synthesis parameters, while the precipitation conditions may not significantly influence adsorption performance, perovskite samples synthesized at higher temperatures are considered more suitable for this application due to their enhanced stability and regenerative capabilities for repeated use. Estimated correlations between sample parameters and adsorption efficiency provide a valuable insight for the practical application of oxide perovskites in addressing dye contamination issues. Stannate ; Congo red ; Adsorption ; Materials science ; Chemistry ; Mineralogy ; Nuclear chemistry ; Inorganic chemistry ; Chemical engineering ; Metallurgy ; Organic chemistry Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Nanomaterials for catalytic reactions
Authors: N. Maes | Sergey V. Churakov | Martin A. Glaus | Bart Baeyens | Rainer Dähn | Sylvain Grangeon | Laurent Charlet | Felix Brandt | Jenna Poonoosamy | Alwina Hoving | Václava Havlová | Cornelius Fischer | Ulrich Noseck | Susan Britz | Marja Siitari‐Kauppi | Xiaodong Li | Otto Fabritius | Tiziana Missana
Source: Frontiers in Nuclear Engineering (article, 2024-11-22)
Field: Chemistry — Inorganic Chemistry

EURAD state-of-the-art report on the understanding of radionuclide retention and transport in clay and crystalline rocks After isolation of radioactive waste in deep geological formations, radionuclides can enter the biosphere via slow migration through engineered barriers and host rocks. The amount of radionuclides that migrate into the biosphere depends on the distance from a repository, dominant transport mechanism (diffusion vs. advection), and interaction of dissolved radionuclides with minerals present in the host rock and engineered barrier systems. Within the framework of the European Union’s Horizon 2020 EURAD project ( https://www.ejp-eurad.eu/ ), a series of state-of-the-art reports, which form the basis of a series of papers, have been drafted. This state-of-the-art paper aims to provide non-specialists with a comprehensive overview of the current understanding of the processes contributing to the radionuclide retention and migration in clay and crystalline host rocks, in a European context. For each process, a brief theoretical background is provided, together with current methodologies used to study these processes as well as references for key data. Owing to innovative research on retention and migration and the extensive knowledge obtained over decades (in the European context), process understanding and insights are continuously improving, prompting the adaptation and refinement of conceptual descriptions regarding safety assessments. Nevertheless, there remains important research questions to be investigated in the future. Context (archaeology) ; Biosphere ; Radionuclide ; Earth science ; European union ; Host (biology) ; Radioactive waste ; Environmental science ; Geochemistry ; Geology ; Business ; Engineering ; Waste management ; Ecology ; Paleontology ; Physics ; Biology Radioactive element chemistry and processing ; Nuclear materials and radiation effects ; Nuclear and radioactivity studies