jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sergey V. Fedorov | А. А. Климашин | В. В. Белоусов
Source: Journal of the American Ceramic Society (article, 2022-02-15)
Field: Materials Science — Materials Chemistry

A core‐shell structured diffusion‐bubbling membrane for efficient oxygen separation: Formation and transport properties Abstract The newly developed core‐shell structured molten oxide membranes with fast combined diffusion‐bubbling oxygen mass transfer and theoretically infinite selectivity are of technological interest because of their high separation efficiency. In this article, a core‐shell structured molten V 2 O 5 –Cu 2 O‐ based diffusion‐bubbling membrane was prepared by one‐step thermal treatment of initial CuO–25 wt.% Cu 5 V 2 O 10 ceramic composite in a chemical field (under an oxygen partial pressure difference across the composite) above copper vanadate peritectic transformation temperature (816°C). Oxygen fluxes through the membrane were measured at 830°C, using either gas mixtures (O 2 + N 2 ) with different oxygen concentrations or air as feed gas at the shell of the membrane and helium (He) as sweep gas. Oxygen flux through the membrane with a shell thickness of 0.15–0.61 mm was 3.8·10 –8 –1.4·10 –7 mol/cm 2 /s under an oxygen partial pressure difference of 0.1 –0.75 atm, respectively. The effect of oxygen partial pressure on the thickness of the membrane shell is found. The relationship between membrane shell thickness, oxygen partial pressure difference across the membrane, and oxygen permeation flux through the membrane is established. Oxygen permeation flux through the dual‐phase MIEC membrane shell is described in terms of the diffusion model. Oxygen permeation flux through the membrane core is described both within the framework of the stationary model and nonstationary model for uniform (the membrane thickness is much larger than the characteristic distance of bubble dynamic relaxation) and accelerated (the membrane thickness is comparable to the characteristic distance of bubble dynamic relaxation) bubble motion in a viscous oxide melt, respectively. Permeation ; Membrane ; Partial pressure ; Oxygen ; Diffusion ; Chemistry ; Analytical Chemistry (journal) ; Oxygen transport ; Materials science ; Chemical engineering ; Thermodynamics ; Chromatography ; Organic chemistry Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Catalytic Processes in Materials Science
Authors: Muhammad Yasir | Tomas Sopik | Rahul Patwa | Dušan Kimmer | Vladimír Sedlařík
Source: eXPRESS Polymer Letters (article, 2022-01-01)
Field: Chemistry — Analytical Chemistry

Adsorption of estrogenic hormones in aqueous solution using electrospun nanofibers from waste cigarette butts: Kinetics, mechanism, and reusability This study emphasizes rapid and simultaneous adsorptive removal of estrogenic hormones (EH): estrone (E1), estradiol (E2), ethinylestradiol (EE2), and estriol (E3) from wastewater using recycled waste cigarette electrospun fibers (WCENFs). The submicron fibers exhibited a strong affinity towards all EH due to abundant hydrogen bonding interactions. The adsorption kinetics pseudo-first-order, pseudo-second-order, intra-particle diffusion, Elovich, and fractional power models were explored and fitted towards optimum conditions for the large-scale removal process of the EH. Results showed that E1, E2, and EE2 followed pseudo-second-order kinetics while E3 followed the pseudo-first-order kinetic model. In combination, the total adsorption capacity achieved was 2.14 mg/g, whereas the individual values for E1, E2, EE2, and E3 were 0.551, 0.532, 0.687, and 0.369 mg/g, respectively. The percentage efficiency of WCENFs was highest with EE2 ~64.3% and least with E3 ~34.6%. The WCENFs could repeatedly be used for four adsorption-desorption cycles as an effective adsorbent for the simultaneous removal of four EH via batch adsorption studies. According to the results obtained, the repurposing of waste cigarette butts to WCENFs presented itself as a suitable alternative for removing EH and possibly other organic pollutants from water. Reusability ; Nanofiber ; Kinetics ; Adsorption ; Aqueous solution ; Materials science ; Electrospinning ; Chemical engineering ; Chemistry ; Nanotechnology ; Organic chemistry ; Computer science ; Polymer ; Composite material Dye analysis and toxicity
Authors: John P. Elliott | Naresh C. Osti | Madhusudan Tyagi | Eugene Mamontov | Lifeng Liu | Joel M. Serrano | Ke Cao | Guoliang Liu
Source: ACS Applied Materials & Interfaces (article, 2022-08-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exceptionally Fast Ion Diffusion in Block Copolymer-Based Porous Carbon Fibers Confined ionic liquids in hydrophilic porous media have disrupted lattices and can be divided into two layers: An immobile ion layer adheres to the pore surfaces, and an inner layer exhibits faster mobility than the bulk. In this work, we report the first study of ionic liquids confined in block copolymer-based porous carbon fibers (PCFs) synthesized from polyacrylonitrile-<i>block</i>-polymethyl methacrylate (PAN-<i>b</i>-PMMA). The PCFs contain a network of unimodal mesopores of 13.6 nm in diameter and contain more hydrophilic surface functional groups than previously studied porous carbon. Elastic neutron scattering shows no freezing point for 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF<sub>4</sub>) confined in PCFs down to 20 K. Quasi-elastic neutron scattering (QENS) is used to measure the diffusion of [BMIM]BF<sub>4</sub> confined in PCFs, which, surprisingly, is 7-fold faster than in the bulk. The unprecedentedly high ion diffusion remarks that PCFs hold exceptional potential for use in electrochemical catalysis, energy conversion, and storage. Materials science ; Ionic liquid ; Polyacrylonitrile ; Diffusion ; Copolymer ; Tetrafluoroborate ; Neutron scattering ; Porosity ; Chemical engineering ; Ion ; Mesoporous material ; Porous medium ; Ionic bonding ; Scattering ; Polymer chemistry ; Composite material ; Polymer ; Catalysis ; Organic chemistry ; Optics Supercapacitor Materials and Fabrication ; Advanced Battery Materials and Technologies ; Ionic liquids properties and applications
Authors: Zhiwei Yan | Xiangyang Zhou | Yuchen Wang | Chen Zhang | Xiaoyao Qiao | Mert Akın | Azzam N. Mansour | Gordon H. Waller | Zhijia Du
Source: Journal of Membrane Science (article, 2022-12-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Application of GO anchored mediator in a polymer electrolyte membrane for high-rate solid-state supercapacitors Electrolyte ; Materials science ; Fourier transform infrared spectroscopy ; Membrane ; Ionic conductivity ; Supercapacitor ; Chemical engineering ; X-ray photoelectron spectroscopy ; Graphene ; Lithium (medication) ; Scanning electron microscope ; Polymer ; Polymer chemistry ; Capacitance ; Nanotechnology ; Chemistry ; Composite material ; Electrode ; Physical chemistry Supercapacitor Materials and Fabrication ; Advanced Battery Materials and Technologies ; Advancements in Battery Materials
Authors: Mohd Mustafa | Shabnum Bashir | Bashir Moosvi | Mohd. Hanief Najar | Mubashir Hussain Masoodi | Masood Ahmad Rizvi
Source: Acta chimica slovenica (article, 2022-12-11)
Field: Chemistry — Organic Chemistry

ybrid Polymer Composite of Prussian Red Doped Polythiophene forAdsorptive Wastewater Treatment Application Coordination compounds as dopants to conducting polymers combine desirable properties of individual components for a synergistic effect. Prussian red (PR) a low spin iron (III) coordination compound was doped in polythiophene (PTP) matrix to explore propensity of this inorganic-organic hybrid composite material towards wastewater treatment. PR doping was observed to improve mechano, thermal, electrical, and photocatalytic attributes of pure PTP. PTP/PR composite characterization was attempted using the powder X-ray diffraction, TEM, TGA, FTIR, BET analysis and UV-Visible spectroscopy. Optimization of adsorption conditions, adsorbent regeneration, adsorption thermodynamics studies of PTP/PR were carried out using malachite green (MG) dye as a model system. Under optimized conditions 92% MG dye adsorption was observed over 20 mg PTP/PR nanocomposite in 20 minutes at pH 7. PTP/PR nanocomposite also demonstrated a complimentary performance with real wastewater samples. Thermodynamic studies indicate spontaneous process with electrostatic attraction as the predominant noncovalent interaction. This study highlights designing catalysts capable of synergistic adsorption and photocatalytic activities for effective wastewater treatment. Prussian blue ; Adsorption ; Polythiophene ; Nanocomposite ; Materials science ; Composite number ; Chemical engineering ; Photocatalysis ; Dopant ; Malachite green ; Polymer ; Fourier transform infrared spectroscopy ; Methyl red ; Doping ; Nuclear chemistry ; Catalysis ; Conductive polymer ; Chemistry ; Organic chemistry ; Composite material ; Electrochemistry ; Physical chemistry Nanomaterials for catalytic reactions
Authors: Jizhou Zhao | Peng Lu | Tengteng He | Jing Huang | Shiao Zhang | Yan Liu | Yun Wang | Cheng Meng | Dingzhong Yuan
Source: International Journal of Molecular Sciences (article, 2022-12-19)
Field: Chemistry — Inorganic Chemistry

Highly Efficient Removal of Uranium from an Aqueous Solution by a Novel Phosphonic Acid-Functionalized Magnetic Microsphere Adsorbent The development of adsorption materials which can efficiently isolate and enrich uranium is of great scientific significance to sustainable development and environmental protection. In this work, a novel phosphonic acid-functionalized magnetic microsphere adsorbent Fe<sub>3</sub>O<sub>4</sub>/P (GMA-MBA)-PO<sub>4</sub> was developed by functionalized Fe<sub>3</sub>O<sub>4</sub>/P (GMA-MBA) prepared by distill-precipitation polymerization with O-phosphoethanolamine. The adsorption process was endothermic, spontaneous and kinetically followed the pseudo second-order model. The maximum uranium adsorption capacity obtained from the Langmuir model was 333.33 mg g<sup>-1</sup> at 298 K. In addition, the adsorbent also had good acid resistance and superparamagnetic properties, which could be quickly separated by a magnetic field. XPS analysis showed that the adsorption of adsorbent mainly depended on the complexation of phosphonic acid group with uranium. This work offers a promising candidate for the application of magnetic adsorbents in the field of uranium separation and enrichment. Adsorption ; Uranium ; Langmuir adsorption model ; Endothermic process ; Aqueous solution ; Superparamagnetism ; Chemical engineering ; Nuclear chemistry ; Microsphere ; Polymerization ; Precipitation polymerization ; X-ray photoelectron spectroscopy ; Langmuir ; Materials science ; Chemistry ; Organic chemistry ; Polymer ; Radical polymerization ; Magnetic field ; Metallurgy Radioactive element chemistry and processing ; Chemical Synthesis and Characterization ; Extraction and Separation Processes
Authors: Jiang-Bo Huo | Guoce Yu
Source: International Journal of Molecular Sciences (article, 2022-11-22)
Field: Materials Science — Materials Chemistry

Layered Double Hydroxides Derived from MIL-88A(Fe) as an Efficient Adsorbent for Enhanced Removal of Lead (II) from Water The efficient removal of lead (II) from aqueous solution remains a big problem and the development of novel nanomaterials as adsorbents by various technologies to solve this problem is promising. This study contributed a novel nanostructure of MIL-88A-layered double hydroxides (LDHs) as the adsorbent for Pb<sup>2+</sup>, which was synthesized by a two-step solvothermal method with MIL-88A(Fe) as the precursor. The as-prepared material featured a chestnut-like core-shell structure, and exhibited excellent removal performance towards Pb<sup>2+</sup> from water in comparison to MIL-88A(Fe) and LDHs (directly synthesized). The adsorption of Pb<sup>2+</sup> by the MIL-88A-LDHs conformed to the pseudo-second-order kinetic model and the Langmuir and Freundlich isotherm models. The maximal adsorption capacity was 526.32, 625.00, and 909.09 mg g<sup>-1</sup> at 278, 298, and 318 K, respectively. The thermodynamic parameters suggested that the adsorption was an endothermic, entropy-increasing, and spontaneous reaction. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface complexation was mostly responsible for Pb<sup>2+</sup> elimination. The MIL-88A-LDHs can be readily regenerated and showed good cyclic performance towards Pb<sup>2+</sup>. Thus, the as-prepared MIL-88A-LDHs may hold promise for the elimination of aqueous heavy metals. Adsorption ; Layered double hydroxides ; Lead (geology) ; Chemistry ; Chemical engineering ; Inorganic chemistry ; Materials science ; Organic chemistry ; Geology Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Chemical Synthesis and Characterization
Authors: Sandrine Cottrino | Thomas Gaudisson | S. Pailhès | Emanuela Archina Ferrara | Shashank Mishra | S. Danièle | Mohamed Mézouar | Alain Largeteau | Yann Le Godec | Sylvie Le Floch
Source: Journal of the European Ceramic Society (article, 2022-11-17)
Field: Materials Science — Ceramics and Composites

In situ X-ray diffraction study of a TiO2 nanopowder Spark Plasma Sintering under very high pressure Spark plasma sintering ; Materials science ; Sintering ; Crystallite ; Diffraction ; Synchrotron ; Grain size ; Grain growth ; Ceramic ; X-ray crystallography ; Relative density ; Analytical Chemistry (journal) ; Phase (matter) ; Microstructure ; Composite material ; Metallurgy ; Optics Advanced ceramic materials synthesis ; High-pressure geophysics and materials ; Advanced materials and composites
Authors: Narumi Wong | Seung Kyun Ha | Kristopher Williams | Wenbi Shcherbakov-Wu | James W. Swan | William A. Tisdale
Source: The Journal of Chemical Physics (article, 2022-09-14)
Field: Materials Science — Materials Chemistry

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy Transient microscopy has emerged as a powerful tool for imaging the diffusion of excitons and free charge carriers in optoelectronic materials. In many excitonic materials, extraction of diffusion coefficients can be simplified because of the linear relationship between signal intensity and local excited state population. However, in materials where transport is dominated by free charge carriers, extracting diffusivities accurately from multidimensional data is complicated by the nonlinear dependence of the measured signal on the local charge carrier density. To obtain accurate estimates of charge carrier diffusivity from transient microscopy data, statistically robust fitting algorithms coupled to efficient 3D numerical solvers that faithfully relate local carrier dynamics to raw experimental measurables are sometimes needed. Here, we provide a detailed numerical framework for modeling the spatiotemporal dynamics of free charge carriers in bulk semiconductors with significant solving speed reduction and for simulating the corresponding transient photoluminescence microscopy data. To demonstrate the utility of this approach, we apply a fitting algorithm using a Markov chain Monte Carlo sampler to experimental data on bulk CdS and methylammonium lead bromide (MAPbBr<sub>3</sub>) crystals. Parameter analyses reveal that transient photoluminescence microscopy can be used to obtain robust estimates of charge carrier diffusivities in optoelectronic materials of interest, but that other experimental approaches should be used for obtaining carrier recombination constants. Additionally, simplifications can be made to the fitting model depending on the experimental conditions and material systems studied. Our open-source simulation code and fitting algorithm are made freely available to the scientific community. Charge carrier ; Photoluminescence ; Materials science ; Carrier lifetime ; Diffusion ; Thermal diffusivity ; Transient (computer programming) ; Computational physics ; Statistical physics ; Optoelectronics ; Computer science ; Physics ; Thermodynamics ; Silicon Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Perovskite Materials and Applications
Authors: J. Toribio | Miguel Lorenzo | Leticia Aguado
Source: Materials (article, 2022-12-19)
Field: Materials Science — Metals and Alloys

Innovative Design of Residual Stress and Strain Distributions for Analyzing the Hydrogen Embrittlement Phenomenon in Metallic Materials Round-notched samples are commonly used for testing the susceptibility to hydrogen embrittlement (HE) of metallic materials. Hydrogen diffusion is influenced by the stress and strain states generated during testing. This state causes hydrogen-assisted micro-damage leading to failure that is due to HE. In this study, it is assumed that hydrogen diffusion can be <i>controlled</i> by modifying such residual stress and strain fields. Thus, the selection of the notch geometry to be used in the experiments becomes a key task. In this paper, different HE behaviors are analyzed in terms of the stress and strain fields obtained under diverse loading conditions (un-preloaded and preloaded causing residual stress and strains) in different notch geometries (shallow notches and deep notches). To achieve this goal, two uncoupled finite element (FE) simulations were carried out: (i) a simulation by FE of the loading sequences applied in the notched geometries for revealing the stress and strain states and (ii) a simulation of hydrogen diffusion assisted by stress and strain, for estimating the hydrogen distributions. According to results, hydrogen accumulation in shallow notches is heavily localized close to the wire surface, whereas for deep notches, hydrogen is more uniformly distributed. The residual stress and plastic strains generated by the applied preload localize maximum hydrogen concentration at deeper points than un-preloaded cases. As results, four different scenarios are established for estimating "<i>a la carte</i>" the HE susceptibility of pearlitic steels just combining two notch depths and the residual stress and strain caused by a preload. Materials science ; Hydrogen embrittlement ; Hydrogen ; Residual stress ; Stress (linguistics) ; Strain (injury) ; Diffusion ; Finite element method ; Embrittlement ; Composite material ; Metallurgy ; Structural engineering ; Corrosion ; Thermodynamics ; Physics ; Engineering Hydrogen embrittlement and corrosion behaviors in metals ; Fatigue and fracture mechanics ; Corrosion Behavior and Inhibition
Authors: L.B. Peral | A. Díaz | V. Arniella | F.J. Belzunce | J.M. Alegre | I.I. Cuesta
Source: Engineering Fracture Mechanics (article, 2022-08-27)
Field: Materials Science — Metals and Alloys

Hydraulic fracture behavior in the presence of hydrogen in notched miniature cylindrical specimens of a 42CrMo4 steel The influence of internal hydrogen on the mechanical behavior of the 42CrMo4 steel grade has been evaluated by means of internal pressure fracture tests performed on hydrogen precharged notched cylindrical specimens. The notched cylindrical specimens were precharged in a 1 M H2SO4 solution + 0.25 g/l As2O3 for 3 h and 1.2 mA/cm2. Thereupon, hydraulic fracture tests were done under different ramps of pressure: 208, 100, 52, 35 and 25 MPa/h, respectively. Hydrogen content introduced into the notched cylindrical specimens (∼1 ppm) was determined by thermal desorption analysis (TDA), using a LECO DH 603 hydrogen analyser. Hydrogen damage was observed as testing time increased until 2 h. The burst pressure is reduced around 28 % while the Notch Mouth Opening Displacement decreased around 50 %. Hydrogen embrittlement susceptibility is discussed through the hydrogen embrittlement micromechanisms. Materials science ; Hydrogen embrittlement ; Hydrogen ; Fracture (geology) ; Composite material ; Internal pressure ; Displacement (psychology) ; Hydraulic press ; Thermal desorption ; Embrittlement ; Metallurgy ; Desorption ; Corrosion ; Chemistry Hydrogen embrittlement and corrosion behaviors in metals ; Material Properties and Failure Mechanisms ; Fatigue and fracture mechanics
Authors: Wei Chen | Dalu Zhang | Enlei Wang | Feng Yan | Lin Xiang | Zhiwen Xie
Source: Coatings (article, 2022-07-20)
Field: Materials Science — Materials Chemistry

Corrosion Degradation Behaviors of Ti6Al4V Alloys in Simulated Marine Environments Detailed tests and characterizations were used to investigate the corrosion degradation behaviors of Ti6Al4V alloys in simulated marine environments. These alloys suffered from very slight pitting and a miniscule weight loss of 0.018 mg/cm2 during the 50 cycle salt spray exposure but experienced significant oxygen erosion in the high-temperature oxidation test, resulting in a high weight gain of 2.657 mg/cm2 at 400 h. The oxidation and degradation reactions simultaneously occurred during the high-temperature hot salt test. The chlorine (Cl2) induced by the eutectic reaction of the mixed salts accelerated the degradation of the substrate and led to a higher weight gain of 4.265 mg/cm2 at 400 h. In contrast, this alloy suffered from severe corrosion damage during the high-temperature hot salt–water vapor synergy test. The degradation of TiO2, Al2O3, and V2O5 was aggravated by the synergistic action of chlorine salt and water. The reaction forming hydrochloric acid (HCl) further degraded the matrix metal and consequently led to a high weight loss of 16.358 mg/cm2 at 400 h. These current findings provide a comprehensive understanding for the degradation mechanisms of Ti alloys in these specific marine environments. Degradation (telecommunications) ; Chlorine ; Corrosion ; Materials science ; Metallurgy ; Eutectic system ; Salt (chemistry) ; Alloy ; Titanium alloy ; Temperature cycling ; Weight change ; Tin ; Water vapor ; Hydrochloric acid ; Metal ; Chemical engineering ; Chemistry ; Weight loss ; Thermal Titanium Alloys Microstructure and Properties ; Hydrogen embrittlement and corrosion behaviors in metals ; Nuclear Materials and Properties
Authors: Ziyad Tark | Ahmed J. Hamed | Abdul Hadi N. Khalifa
Source: International Journal of Heat and Technology (article, 2022-02-28)
Field: Materials Science — Materials Chemistry

Performance Study of the Thermoelectric Personal Cooler under Different Ambient Temperatures In this study, a Thermo Electric Cooler (TEC) was manufactured and investigated experimentally. The heat sink, geometry, fin number, fin length, and heat sink dimensions are studied theoretically. The performance of the TEC is studied under three variables, namely: the THC power, airspeed, and ambient temperature. Two heat sinks are used for each Peltier module. The first one is for the cooling side, while the second one is for the hot side. In the theoretical part, the geometry and the dimensions of the heat sink are studied using one-dimensional heat transfer equations, as well as a theoretical simulation of the performance of a single Peltier module is achieved. The results show that the cooling capacity increases with the increase in airspeed, and the maximum cooling capacity was 180 W at an airspeed of 4 m/s and TEC power of 300 W. The maximum figure of merit of the TEC is about 0.23 when the TEC power is 350 W, at 4 m/s airspeed and an ambient temperature of 43℃. The theoretical results showed that the number of fins affected the total sink thermal resistance and that thermal resistance reduced sharply from 6.5 to about 2 m2 K/W when the fin number increased to 6. When the TEC power is 350 W, the airspeed is 4 m/s, and the ambient temperature is 28℃, the maximum TEC efficiency is 0.5%. Finally, the comparison between the current work and the other works shows the same trends in the variables under comparison. TEC ; Airspeed ; Heat sink ; Thermoelectric cooling ; Thermoelectric effect ; Materials science ; Thermal resistance ; Fin ; Cooling capacity ; Mechanics ; Thermodynamics ; Thermal ; Environmental science ; Physics ; Composite material Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Advanced Thermodynamics and Statistical Mechanics