jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: А. P. Kusyak | N. V. Kusyak | O. I. Oranska | T. V. Kulyk | L. S. Dzubenko | Borys Palianytsia | О. А. Дударко | Н. М. Корнійчук | А. L. Petranovska | P. P. Gorbyk
Source: Nanosistemi Nanomateriali Nanotehnologii (article, 2023-06-01)
Field: Chemistry — Organic Chemistry

Magnetosensitive Nanocomposite Fe3O4/Al2O3/С Synthesis and Properties The processes of carbonization of sucrose-containing coatings on the surface of single-domain magnetite and magnetosensitive nanocomposite (MNC) Fe 3 O 4 /Al 2 O 3 are studied.The MNC with a carbon surface is synthesized by the method of low-temperature pyrolysis of carbohydrates.As revealed, the used heat-treatment mode does not lead to deterioration of the magnetic characteristics of magnetite under the condition of preliminary creation of a protective layer of alumina on its surface.Differential thermal analysis (DTA) in combination with differential thermogravimetric analysis (DTGA) and programmed temperature-desorption mass spectrometry show that the carbonization of sucrose under these conditions is complete.The shape and dimensions of the Fe 3 O 4 , Fe 3 O 4 /Al 2 O 3 and Fe 3 O 4 /Al 2 O 3 /С MNCs are investigated by the TEM method.As established, the values of the specific saturation magnetization of MNCs are consistent with the corresponding changes in the mass fraction of magnetite in the Fe 3 O 4 /Al 2 O 3 and Fe 3 O 4 /Al 2 O 3 /С structures.The results of TEM studies and magnetic measurements indicate the formation of the Fe 3 O 4 /Al 2 O 3 and Fe 3 O 4 /Al 2 O 3 /С MNCs by the core-shell type.Methylene blue is used to study the adsorption activity of the Fe 3 O 4 /Al 2 O 3 /С MNC surface.The results of the work can be used in the development of new magnetically controlled adsorption materials for medical-biological purposes.Досліджено процеси карбонізації сахарозовмісних покриттів на поверхні однодоменного магнетиту та магнеточутливого нанокомпозиту (МНК) Fe 3 O 4 /Al 2 O 3 .Методом низькотемпературної піролізи вуглеводів синтезовано МНК з вуглецевою поверхнею.Встановлено, що використовуваний режим термооброблення не призводить до погіршення магнетних характеристик магнетиту за умови попереднього створення на його поверхні захисного шару оксиду Алюмінію.Диференційна термічна аналіза (ДТА) у поєднанні з диференційною термоґравіметричною Наносистеми, наноматеріали, нанотехнології Nanosistemi, Nanomateriali, Nanotehnologii 2023, т.21, № 2, сс.427-449  2023 ІÌÔ (Іíñòèòóò ìåòàëîôіçèêè іì.Ã. Â. Êóðäþìîâà ÍÀÍ Óêðàїíи) Надруковано в Óкраїні. Nanocomposite ; Materials science ; Chemical engineering ; Polymer science ; Nanotechnology ; Engineering Nanomaterials for catalytic reactions ; Magnetic Properties and Synthesis of Ferrites ; Iron oxide chemistry and applications
Authors: F. M. Mohamed | B. Y. Eweida | A. M. Abdualla | Hesham Hamad | M. F. Alrakshy | Randa E. Khalifa
Source: Research Square (preprint, 2023-08-22)
Field: Materials Science — Biomaterials

Superior Sorption of Mn (VII) @ Functionalized Cellulose Nanocrystals Derived from Sustainable Newspapers Abstract The fabrication of natural polymer nanocrystals and their versatility stimulated the development of functionalized hybrid nanomaterials for the elimination of harmful contaminants. In this quest, cellulose nanocrystals (CNCs) from environmentally friendly newspapers have been functionalized using a simple two-step reaction with anionic polymer (poly hydrex 6161) to create FCNCs. FTIR, XRD, and SEM are used to describe the structure of FCNCs. The impact of five factors (starting Mn (VII) concentration, contact time, pH, adsorbent dosage, and temperature) and their interactions on the removal efficiency is examined using the Response Surface Methodology (RSM). FCNC adsorption efficiency in batch mode is highly influenced by a number of variables, including pH. The innovative FCNCs hybrid composite not only demonstrated the efficient removal of Mn (VII) ions from an aqueous solution, but it also made the process easier. For the elimination of Mn (VII) ions, a mild acid (pH = 2) is preferred. The pseudo-second order, intraparticle-diffusion, and Langmuir isotherm kinetic models as well as the adsorption process have been proven to be compatible. Electrostatic interaction, complexation interaction, ion exchange, and pore filling are methods that can be used to determine the adsorption mechanism on the FCNCs. At least six adsorption-desorption recycles were easily performed by the hybrid FCNCs. The hybrid composite is extremely promising as an improved adsorbent for significant potential in wastewater treatment for heavy metal removal on an industrial scale due to its special features. Adsorption ; Sorption ; Chemical engineering ; Desorption ; Aqueous solution ; Langmuir adsorption model ; Ion exchange ; Nanomaterials ; Materials science ; Metal ions in aqueous solution ; Cellulose ; Hybrid material ; Chemistry ; Metal ; Nanotechnology ; Ion ; Organic chemistry Advanced Cellulose Research Studies ; Adsorption and biosorption for pollutant removal ; Extraction and Separation Processes
Authors: Heri Budi Wibowo | Hamonangan Rekso Diputro Sitompul | Yudha Budiman | Bagus Wicaksono | Ahmad Jamaludin Fitroh | Ahmad Riyadl | Wiwiek Utami Dewi | Yulia Azatil Ismah | Dwi Setyaningsih | Aprilia Fitri Yastuti | Mohamad Baiquni | Lilis Mariani | Anggaria Maharani | Herry Purnomo | Kendra Hartaya | Retno Ardianingsih | Luthfia Hajar Abdillah | Sutrisno Sutrisno
Source: Coatings (article, 2023-09-11)
Field: Materials Science — Materials Chemistry

Diffusion Effect on Octogen Coating-Curing Kinetics with Polyurethane Using Infrared Spectroscopy The kinetic analysis of octogen coating with a polyurethane base containing hydroxyl-terminated polybutadiene (HTPB) was investigated using infrared spectroscopy. The coating process involved a solvent method, where octogen and liquid polyurethane were mixed, the solvent was evaporated, and curing took place at an elevated temperature. The ratio of HTPB to diisocyanate was equimolar. About 200 g octogen was coated with mixture of 2 mL HTPB, 50 mL ethyl acetate, and 0.2 mL TDI in the glass beaker at 30 °C for 1 h. The filtrated ethyl acetate was then evaporated, and the residue was dried in a vacuum oven for 15 min at 30 °C. The resulting film-coated octogen was cast into a KBr pellet and cured in the oven for 7 days at 40 °C, then infrared-analyzed every hour during the curing process. After curing, the shape of the coated octogen particles was analyzed using SEM Initially, the curing process occurred in the solvent system, followed by further curing in the bulk system. The kinetic analysis was performed using a modified diffusion-autocatalytic model, which includes noncatalytic, autocatalytic, and diffusion components. This model was compared with others during the bulk reaction and proved to be effective in correcting errors, particularly in the gel time region. Thermodynamic parameters were evaluated using the Arrhenius and Eyring equations. The reaction rate was initially controlled by chemical reactivity, but after the gel time, diffusion became the controlling factor. In the HTPB-TDI system, both the noncatalytic and autocatalytic parts decreased with increasing temperature, while diffusivity increased. It is worth noting that diffusivity is temperature-dependent. Different di-isocyanates, namely toluene diisocyanate (TDI), iso-phorone diisocyanate (IPDI), and hexamethylene diisocyanate (HMDI), were studied, revealing that HMDI exhibited higher reactivity than TDI and IPDI. The catalyst effect on reaction rate of the HTPB-TDI system was investigated. The addition of catalysts (0.1%) to the HTPB-TDI system decreased their activation energy in the order DBTL &gt; FeAA &gt; TPB. Catalysts did not change their diffusivity. Curing (chemistry) ; Polyurethane ; Autocatalysis ; Materials science ; Polybutadiene ; Arrhenius equation ; Coating ; Solvent ; Infrared spectroscopy ; Hydroxyl-terminated polybutadiene ; Chemical engineering ; Polymer chemistry ; Chemistry ; Composite material ; Activation energy ; Organic chemistry ; Polymer ; Catalysis ; Copolymer Thermal and Kinetic Analysis ; Epoxy Resin Curing Processes ; Photopolymerization techniques and applications
Authors: Alexey M. Astakhov | Vladislav S. Petrovskii | Maria A. Frolkina | Anastasia Markina | Alexander D. Muratov | Alexander Valov | В. А. Аветисов
Source: arXiv (Cornell University) (preprint, 2023-11-10)
Field: Materials Science — Materials Chemistry

Spontaneous Vibrations and Stochastic Resonance of Short Oligomeric Springs There is growing interest in molecular structures that exhibit dynamics similar to bistable mechanical systems. These structures have the potential to be used as nanodevices with two distinct states. Particularly intriguing are structures that display spontaneous vibrations and stochastic resonance. Previously, through molecular dynamics simulations, it was discovered that short pyridine-furan springs, when subjected to force loading, exhibit the bistable dynamics of a Duffing oscillator. In this study, we extend these simulations to include short pyridine-pyrrole and pyridine-furan springs in a hydrophobic solvent. Our findings demonstrate that these systems also display the bistable dynamics of a Duffing oscillator, accompanied by spontaneous vibrations and stochastic resonance activated by thermal noise. Bistability ; Stochastic resonance ; Vibration ; Molecular dynamics ; Resonance (particle physics) ; Chemical physics ; Pyridine ; Noise (video) ; Materials science ; Physics ; Molecular physics ; Chemistry ; Computational chemistry ; Atomic physics ; Quantum mechanics ; Computer science ; Optoelectronics Carbon Nanotubes in Composites ; Mechanical and Optical Resonators ; Force Microscopy Techniques and Applications
Authors: Zhaoping Hou | Xinhe Yang | Zihan Tian | Liangliang Liu
Source: International Journal of Applied Ceramic Technology (article, 2023-05-22)
Field: Materials Science — Ceramics and Composites

Densification behavior and attrition resistance of porous Al <sub>2</sub> O <sub>3</sub> beads prepared by dripping‐ice templating Abstract Porous Al 2 O 3 ceramic beads with a small‐scale lamellar pore structure were prepared by the dripping‐ice templating method. The densification behavior of lamellar walls and the attrition resistance of porous Al 2 O 3 beads were investigated. For the two‐dimensional structural lamellar walls, the intrinsic pores shrunk, and the necking area grew during the sintering process, leading to the densification of lamellar walls and the shrinking of porous beads. In addition, the two‐dimensional lamellar walls and three‐dimensional Al 2 O 3 bulk are compared and possibilities of elaborating of the discrepancy in grain size and pore morphology are discussed. Attrition resistance was determined by a grinding test. The dominant attrition mechanism of porous Al 2 O 3 beads is abrasion. High sintering temperature led to a decrease in the attrition rate due to a wider necking area and denser pore walls. Materials science ; Lamellar structure ; Sintering ; Necking ; Porosity ; Composite material ; Ceramic ; Grinding Advanced ceramic materials synthesis ; Advanced materials and composites ; Nuclear materials and radiation effects
Authors: Alibasha Akbar | Mihir Ghosh
Source: ChemRxiv (preprint, 2023-11-22)
Field: Chemistry — Organic Chemistry

Corn Husk fused: Fe2O3 - A Symphony of Sustainable Solutions for Cationic Dyes Dive into the colourful realm of textile wastewater, where α-Fe2O3 attached carbon material, born from the corn husk (Fe-AC@CH), emerges as an eco-hero in the battle against cationic dye pollution, starring Methylene Blue (MB) and Malachite Green (MG). Our journey ventures deep into the synthesis and structural mysteries of Fe-AC@CH, unravelling its secrets through a high-tech arsenal: Fourier-Transform Infra-Red (FT-IR), X-ray diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Field Emission Scanning Electron Microscopy (FESEM), High-Resolution Transition Electron Microscopy (HRTEM), and Raman Spectroscopy. In the quest for optimal adsorption, we meticulously dissect the variables — adsorbent dose, contact time, solution pH, initial dye concentration, and temperature — orchestrating the perfect conditions for MB and MG removal. Isothermal revelations spotlight the Langmuir and D-R isotherm models as the guiding stars, while kinetic analyses unveil the captivating dance of the pseudo-first-order model, boasting stellar correlation coefficients (R2) and perfect harmony with experimental sorption capacities (Qe). Enter the realm of MG, where the intraparticle diffusion kinetic model adds another layer to our understanding, seamlessly aligning calculated Qe values with experimental results. The grand finale reveals physisorption as the masterstroke governing the enchanting adsorption narrative of both MB and MG onto the Fe-AC@CH composite. This ground-breaking study not only anoints Fe-AC@CH as the stalwart defender against cationic dyes in textile wastewater but also heralds corn husks as sustainable sorcery, conjuring eco-friendly adsorbents. The results, a treasure trove of insights, navigate the intricate interplay between composite structure, adsorption kinetics, and isothermal behavior, ushering in a green revolution in the removal of cationic dyes from our waterways. Adsorption ; Langmuir adsorption model ; Cationic polymerization ; Chemistry ; Chemical engineering ; Physisorption ; Materials science ; Organic chemistry Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Environmental remediation with nanomaterials
Authors: Zahra Amiri Rigi Mansoor Kazemimoghadam
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2023-03-30)
Field: Chemistry — Inorganic Chemistry

Synthesis, Evaluation, Modeling and Simulation of Nano-Pore NAA Zeolite Membranes Zeolite membranes have uniform and molecular-sized pores that separate molecules based on the differences in the molecules’ adsorption and diffusion properties. Strong electrostatic interaction between ionic sites and water molecules (due to its highly polar nature) makes the zeolite NaA membrane very hydrophilic. Zeolite NaA membranes are thus well suited for the separation of liquid-phase mixtures by pervaporation. In this study, experiments were conducted with various Ethanol–water mixtures (1–20 wt. %) at 25 °C. Total flux for Ethanol–water mixtures was found to vary from 0.331 to 0.229 kg/m2 .h with increasing Ethanol concentration from 1 to 20 wt.%. Ionic sites of the NaA zeolite matrix play a very important role in water transport through the membrane. These sites act both as water sorption and transport sites. Surface diffusion of water occurs in an activated fashion through these sites. The precise Nano-porous structure of the zeolite cage helps in a partial molecular sieving of the large solvent molecules leading to high separation factors. A comparison between experimental flux and calculated flux using Stephan Maxwell (S.M.) correlation was made and a linear trend was found to exist for water flux through the membrane with Ethanol concentration. A comprehensive model also was proposed for the Ethanol/water pervaporation (PV) by Finite Element Method (FEM). The 2D model was masterfully capable of predicting water concentration distribution within both the membrane and the feed side of the pervaporation membrane module. Zeolite ; Nano- ; Membrane ; Chemical engineering ; Materials science ; Chemistry ; Engineering ; Organic chemistry ; Biochemistry ; Catalysis Zeolite Catalysis and Synthesis ; Quantum-Dot Cellular Automata
Authors: A. S. Favas | B. Bavanish
Source: Journal of Optoelectronic and Biomedical Materials (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Fabrication and characterization of a TiO2 nanoparticles polypropylene membrane: application in indoor air quality maintenance The production of innovative materials with improved features applicable in many domains is a key application of nanotechnology with far-reaching implications for modern society. Nanoparticle-based polymer composites are quickly becoming one of the most promising new materials, with potential uses spanning the chemical, physical, and biological sciences as well as engineering. Application of nanoparticle-based polymer composites for indoor air quality maintenance was discussed, as were their production, hybrid functionalization, and feasible synthesis procedures (filter membrane). The batch foaming procedure has been used to create foam from the thermoplastic polymer polypropylene (PP). Foaming is a blown process, where carbon dioxide is utilised as the blowing agent. Nanoparticles of titanium oxide (nano TiO2) are also used for reinforcement. Scanning electron microscopy (SEM) was utilised to investigate the NTPMs' surface morphology, while other physio-chemical characteristics were investigated by means of various analytical methods, including Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and thermo-gravimetric analysis (TGA). The adsorption isotherm and kinetics of water vapours were analysed to get insight into the water vapour adsorption characteristics of the NTPMs. The kinetics of adsorption pointed to a combination of intraparticle diffusion and liquid field driving processes for the transport of water vapours. Because of their high dehumidification effectiveness, synthetic NTPMs have the potential to replace many of the currently used traditional solid desiccant materials Materials science ; Polypropylene ; Vapours ; Chemical engineering ; Adsorption ; Polymer ; Fourier transform infrared spectroscopy ; Nanoparticle ; Gravimetric analysis ; Desiccant ; Nanotechnology ; Composite material ; Organic chemistry ; Chemistry Polymer Foaming and Composites ; Membrane Separation and Gas Transport
Authors: Qiang Luo | Li Fei | Weijun Zhen | Qing Ge | Yushen Zhou | Chunmei Ma | Pengtao Sun | Jianbo Xu | Buning Chen
Source: Research Square (preprint, 2023-11-15)
Field: Materials Science — Biomaterials

Preparation, adsorption behavior and performance of poly (propylene)/organically modified saponite nanocomposites fiber membranes Abstract Organically modified saponite (Sap@P(St-co-MMA)) additives were prepared by solution polymerization with saponite as matrix and with styrene and methyl methacrylate as monomer, poly (propylene) (PP)/Sap@P(St-co-MMA) nanocomposites fiber membranes are prepared by melt-blown spinning. PP fiber membranes with improved hydrophobicity, thermal stability, crystallinity, and adsorption properties were prepared. The specific surface area of PP fiber membranes (PP-1.5%) with the addition of 1.5% additive is 129.11 m 2 g − 1 , which provided more active sites for the adsorption of oil substances from wastewater. Simultaneous rheological measurement and FTIR analysis showed that Sap@P(St-co-MMA) could improve the crystallinity of PP matrix, so that PP molecules were regularly arranged to improve the intermolecular interaction force, which was favorable for the adsorption of oil substances. The adsorption of PP-1.5% fiber membrane conformed to a pseudo-second order kinetic model, which could be expressed by the Langmuir isothermal model, and the oil removal of 51% was still achieved after 5 cycles of recycling with a maximum removal of 65%. Accordingly, PP-1.5% fiber membrane can efficiently remove the oil substances in wastewater without secondary pollution to the environment, and it is a kind of oil removal material with good application prospect. Membrane ; Adsorption ; Chemical engineering ; Crystallinity ; Materials science ; Fiber ; Nanocomposite ; Saponite ; Polymer chemistry ; Polymerization ; Thermal stability ; Polymer ; Chemistry ; Organic chemistry ; Composite material ; Montmorillonite biodegradable polymer synthesis and properties ; Polymer Nanocomposites and Properties ; Pickering emulsions and particle stabilization
Authors: Admasu Adamu Dima | Feleke Zewge | Yonas Chebude
Source: Research Square (preprint, 2023-03-09)
Field: Chemistry — Analytical Chemistry

Adsorption activity of spent coffee ground biochar for the removal of Vivizole Red 3BS dye from aqueous solution Biochar ; Adsorption ; Aqueous solution ; Coffee grounds ; Chemistry ; Nuclear chemistry ; Environmental chemistry ; Organic chemistry ; Food science Dye analysis and toxicity
Authors: Wang Guang | Hongzhao Fan | Jiawang Li | Zhigang Li | Yanguang Zhou
Source: arXiv (Cornell University) (preprint, 2023-02-23)
Field: Materials Science — Materials Chemistry

Direct Observation of Tunable Thermal Conductance at Solid/porous Crystalline Solid Interfaces Induced by Water Adsorbents Improving interfacial thermal transport is crucial for heat dissipation in systems. Here, we design a strategy by utilizing the water adsorption-desorption process in porous metal-organic frameworks (MOFs) to tune the interfacial heat transfer. We observe a changeable thermal conductance across the solid/porous MOFs interfaces owing to the dense water channel formed by the adsorbed water molecules in MOFs. Our experimental results show that the interfacial thermal conductance of Au/Cu3(BTC)2 heterointerfaces is increased up to 7.1 folds by this strategy, where Cu3(BTC)2 is a typical porous MOF and usually referred to as HKUST-1. Our molecular dynamics simulations further show that the surface tension of Au layer will cause the adsorbed water molecules in HKUST-1 to gather at the interfacial region. The dense water channel formed at the interfacial region can activate the high-frequency lattice vibrations and act as an additional thermal pathway, and then enhance heat transfer across the interfaces significantly. Our findings provide a new concept for tailoring thermal transport at the solid/porous MOFs heterointerfaces which will largely benefit MOF-related applications. Materials science ; Adsorption ; Porosity ; Chemical engineering ; Thermal ; Heat transfer ; Porous medium ; Thermal conductivity ; Molecule ; Chemical physics ; Metal-organic framework ; Nanotechnology ; Composite material ; Thermodynamics ; Chemistry ; Physical chemistry ; Organic chemistry Thermal properties of materials ; Phase Equilibria and Thermodynamics ; Metal-Organic Frameworks: Synthesis and Applications