jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohsen Bahrami | J. Abenójar | Gladis Miriam Aparicio Rojas | M.A. Martı́nez
Source: Materials (article, 2024-04-26)
Field: Materials Science — Polymers and Plastics

Thermal Stability, Durability, and Service Life Estimation of Woven Flax-Carbon Hybrid Polyamide Biocomposites Woven flax-carbon hybrid polyamide biocomposites offer a blend of carbon fibers' mechanical strength and flax's environmental advantages, potentially developing material applications. This study investigated their thermal behavior, degradation kinetics, and durability to water uptake and relative humidity exposure and compared them with pure flax and carbon composites with the same matrix. The hybrid composite exhibited intermediate water/moisture absorption levels between pure flax and carbon composites, with 7.2% water absorption and 3.5% moisture absorption. It also displayed comparable thermal degradation resistance to the carbon composite, effectively maintaining its weight up to 300 °C. Further analysis revealed that the hybrid composite exhibited a decomposition energy of 268 kJ/mol, slightly lower than the carbon composite's value of 288.5 kJ/mol, indicating similar thermal stability. Isothermal lifetime estimation, employing the activation energy (E<sub>d</sub>) and degree of conversion facilitated by the Model Free Kinetics method, indicated a 41% higher service life of the hybrid laminate at room temperature compared to the carbon laminate. These insights are crucial for understanding the industrial applications of these materials without compromising durability. Materials science ; Composite material ; Durability ; Polyamide ; Composite number ; Thermal stability ; Absorption of water ; Carbon fibers ; Degradation (telecommunications) ; Isothermal process ; Activation energy ; Service life ; Chemical engineering ; Chemistry ; Organic chemistry Natural Fiber Reinforced Composites ; Tribology and Wear Analysis ; Polymer Nanocomposites and Properties
Authors: Karunakarareddy Lomada
Source: Journal of Thermal Engineering (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Investigations on the pyrolysis behavior of Sapindus mukorossi based on kinetic and thermodynamic parameters Sapindus mukorossi (SM) is a fast-growing deciduous tree found extensively in tropical and sub-tropical regions of Asia.The conversion of SM seed shell (left over after extracting the pulp and kernal) to value added products through pyrolysis needs in-depth knowledge about its thermal degradation behavior.The present work studies the physicochemical properties, pyrolysis behavior, and kinetics of this less explored biomass feedstock for thermochemical conversion.The elemental composition, gross composition and higher heating value (HHV) of the SM shell is found to determine its energy potential.The kinetics of the pyrolysis reaction influence the breakdown of solid biomass into final products.Thermogravimetric analysis (TGA), wherein the sample is heated at various heating rates (5, 10, 20 C/min) at inert condition reveals the thermal degradation profile of SM seed shell.Three important isoconversional model-free techniques, notably Friedman, Ozawa-Flynn-Wall (OFW), and Kissinger-Akahira-Sunose (KAS) approaches, are employed to obtain the kinetic triplet data, the thermodynamic parameters are also determined.The C, H, N, S and O content of the SM shell was found to be 39.82%, 4.64%, 0.64%, 0.64% and 54.26% respectively.The SM seed shell had a volatile matter, fixed carbon and HHV of 68.5%, 20.9% and 16.6 MJ/kg respectively which revealed its energy potential for thermochemical conversion.From the TGA curve, the maximum thermal degradation was observed between 200 C and 500 C.The values of average activation energy determined using models Friedman, OFW and KAS are 152.28kJ mol -1 , 140.05 kJ mol -1 and 138.14 kJ mol -1 , respectively.The frequency factor was found to vary widely between 10 3 and 10 15 .The variation in activation energy and frequency factor as the conversion progresses indicated complicated processes during the thermal deterioration of SM.The biomass degradation occurs by diffusion and nucleation mechanisms when the conversion value is between 0.2 and 0.5, and for conversion values in the range of 0.6-0.8, the degradation occurs by diffusion mechanisms.The physicochemical characteristics of SM are found to be comparable with that of the commonly available biomasses.The detailed investigations presented in this paper have clearly demonstrated the viability of SM seed shell as a viable feedstock for the pyrolysis process. Pyrolysis ; Chemistry ; Kinetic energy ; Thermodynamics ; Organic chemistry ; Physics Petroleum Processing and Analysis ; Thermochemical Biomass Conversion Processes
Authors: Klaudia Prusik | Daniel Jaworski | Justyna Gumieniak | Agnieszka Kramek | Kamila Sadowska | Marta Prześniak‐Welenc
Source: Materials (article, 2024-05-15)
Field: Materials Science — Polymers and Plastics

Tailoring Physicochemical Properties of V2O5 Nanostructures: Influence of Solvent Type in Sol-Gel Synthesis The influence of different solvents, including aqueous and nonaqueous types, on the physicochemical properties of V<sub>2</sub>O<sub>5</sub> nanostructures was thoroughly investigated. Various characterization techniques, such as XRD, XPS, FTIR, Raman spectroscopy, UV-vis DRS, SEM, TEM, and BET, were employed to analyze the obtained materials. Additionally, the adsorption properties of the synthesized V<sub>2</sub>O<sub>5</sub> nanostructures for methylene blue were examined, and kinetic parameters of adsorption were calculated. The results demonstrate that the morphology of the obtained crystals can be finely controlled by manipulating water concentration in the solution, showcasing its profound impact on both the structural characteristics and adsorption properties of the nanostructures. Furthermore, the structural changes of the resulting V<sub>2</sub>O<sub>5</sub> material induced by solvents show strong impacts on its photocatalytic properties, making it a promising photocatalyst. Adsorption ; Materials science ; Raman spectroscopy ; Nanostructure ; Photocatalysis ; X-ray photoelectron spectroscopy ; Aqueous solution ; Chemical engineering ; Fourier transform infrared spectroscopy ; Methylene blue ; Solvent ; Characterization (materials science) ; Nanotechnology ; Catalysis ; Physical chemistry ; Chemistry ; Organic chemistry Transition Metal Oxide Nanomaterials ; Gas Sensing Nanomaterials and Sensors ; Catalytic Processes in Materials Science
Authors: Yanwen Ai | Yuan Tian | Jiaming Qiao | Changnan Wang | Huafei Li
Source: PubMed (review, 2024-01-01)
Field: Materials Science — Biomaterials

"<i>Yin-Yang</i> philosophy" for the design of anticancer drug delivery nanoparticles. Understanding the in vivo transport process provides guidelines for designing ideal nanoparticles (NPs) with higher efficacy and fewer off-target effects. Many factors, such as particle size, morphology, surface potential, structural stability, and etc., may influence the delivering process of NPs due to the existence of various physiological barriers within the body. Herein, we summarise the distinct influences of NP physicochemical properties on the four consecutive in vivo transport steps: (1) navigating with bloodstream within blood vessels, (2) transport across vasculature walls into tumour tissues, (3) intratumoural transport through the interstitial space, and (4) cellular uptake & intracellular delivery by cancerous cells. We found that the philosophy behind the current consensus for NP design has certain similarities to the "Yin-Yang" theory in traditional Chinese culture. Almost all physicochemical properties, regardless of big or small sizes, long or short length, positive or negative zeta potentials, are double-edged swords. The balance of potential benefits and side effects, drug selectivity and accessibility should be fully considered when optimising particle design, similar to the "Yin-Yang harmony". This paper presents a comprehensive review of the advancements in NPs research, focusing on their distinct features in tumour targeting, drug delivery, and cell uptake. Additionally, it deliberates on future developmental trends and potential obstacles, thereby aiming to uncover the ways these characteristics influence the NPs' biological activity and provide theoretical guidance for the targeted delivery of NPs. Computer science Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer Research and Treatment
Authors: Abin Raj | Marzena Rams‐Baron | Kajetan Koperwas | Ż. Wojnarowska | Marian Paluch
Source: The Journal of Physical Chemistry B (article, 2024-12-03)
Field: Materials Science — Materials Chemistry

Dual Nature of Large and Anisotropic Glass-Forming Molecules in Terms of Debye–Stokes–Einstein Relation Revealed The fundamental Debye-Stokes-Einstein (DSE) relation between rotational relaxation times and shear viscosity attracts longstanding research interest as one of the most important characteristics of many glass-forming liquids. Here, we provide strong evidence, missing so far, for the relevance of anisotropy for DSE-related behavior. Dielectric spectroscopy and shear viscosity measurements were employed to get insight into the decoupling between reorientation relaxation times and viscosity for anisotropic glass-formers with dipole moments oriented parallel or perpendicular to the long molecular axis. We found that in the case of large and anisotropic molecules, the breakdown of DSE relation depends on the component of anisotropic rotation contributing to the dielectric response. Specifically, for glass-formers with dipole moment perpendicular to the long molecular axis, the DSE relation was found to be valid throughout the supercooled regime. Contrary, a departure from the DSE predictions in the intermediate supercooled regime, was observed for glass-formers where only short-axes contributions were relevant in dielectric response. MD simulations revealed differences in the mechanism of short and long axes reorientations suggesting that for anisotropic objects, not the reorientation mechanism itself, but the aspect of anisotropic motion, is the key to understanding the behavior of these systems in the context of DSE relation. Anisotropy ; Dipole ; Condensed matter physics ; Isotropy ; Relaxation (psychology) ; Supercooling ; Debye ; Viscosity ; Dielectric ; Context (archaeology) ; Decoupling (probability) ; Materials science ; Chemistry ; Physics ; Optics ; Thermodynamics ; Composite material ; Quantum mechanics Material Dynamics and Properties ; Glass properties and applications ; Liquid Crystal Research Advancements
Authors: Naicai Xu | Xun Wen | Dandan Shi | Xiaojun Liu | Jing Liu | Kai‐Peng Zhong | Qiang Gao | Qi Zhao | Xing Han | Shaoju Bian
Source: ChemistrySelect (article, 2024-04-11)
Field: Materials Science — Materials Chemistry

Facile Synthesis of Sodium Dodecyl Sulfate Intercalated Mg‐Al LDH and its Excellent Adsorption Performances for Cu <sup>2+</sup> from Aqueous Solution Abstract In this study, the magnesium aluminum layered double hydroxide intercalated with sodium dodecyl sulfate (Mg‐Al S‐LDH) was synthesized by using a roasting–restoration method based on the Mg‐Al LDH precursor, and their effectiveness in removing Cu 2+ from aqueous solutions was investigated. Detailed microstructural characterization of these adsorption materials involved employing X‐ray diffraction (XRD), Fourier‐transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), nitrogen adsorption/desorption isotherms (N 2 ad/desorption), and thermogravimetric‐differential thermal gravimetric analysis (TG‐DTG). The experimental results revealed that Mg‐Al S‐LDH displayed a plate‐like layered structure with a larger surface area and enhanced adsorption ability. Specifically, the maximum adsorption capacity, reaching 96.15 mg ⋅ g −1 , was achieved at a temperature of 298 K, accompanied by a rapid adsorption rate. The adsorption kinetics adhered to the pseudo‐second‐order model, suggesting that chemisorption controlled the adsorption behavior. Furthermore, the adsorption of Cu 2+ followed the Freundlich model, signifying a multi‐site adsorption mechanism onto the surface and layers of Mg‐Al S‐LDH. Thermodynamic investigations indicated that higher temperatures facilitated Cu 2+ dissolution and strengthened the affinity with Mg‐Al S‐LDH, with a positive Δ H Θ value suggesting that the Cu 2+ adsorption process was endothermic and temperature‐enhancing. Ion selectivity experiments demonstrated that Cd 2+ and Pb 2+ ions had a significant impact on Cu 2+ adsorption, while the effects of Zn 2+ and Fe 2+ ions were less pronounced. The primary adsorption mechanisms of Cu 2+ onto Mg‐Al S‐LDH encompassed precipitation, complexation on the surface and layers, and isomorphous substitution. This study sheds light on the promising potential of Mg‐Al S‐LDH as an effective adsorbent for heavy metal removal and provides valuable insights into its adsorption mechanisms and performance in different environmental conditions. Adsorption ; Thermogravimetric analysis ; Aqueous solution ; Chemistry ; Desorption ; Inorganic chemistry ; Fourier transform infrared spectroscopy ; Sodium dodecyl sulfate ; Chemisorption ; Endothermic process ; Freundlich equation ; Nuclear chemistry ; Chemical engineering ; Chromatography ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Nanomaterials for catalytic reactions
Authors: Jamesa L. Stokes
Source: Journal of the American Ceramic Society (article, 2024-10-22)
Field: Materials Science — Materials Chemistry

β‐Cristobalite thermal expansion and stability in environmental barrier coating systems Abstract SiC‐based ceramic matrix composites (CMCs) for turbine engine applications require environmental barrier coatings (EBCs) to protect against water‐vapor induced corrosion. A significant limiting factor of EBC operating lifetime is the formation of a SiO 2 thermally grown oxide (TGO) at the EBC–CMC interface at high temperature. Its rapid growth as well as displacive β→α cristobalite phase transformation upon cooling induces strains at this interface, which can result in coating spallation. Recent work has explored upon the use of modifier oxides in EBCs to reduce oxidizing specie transport and possibly stabilize the SiO 2 TGO. This work utilizes EBC–glass mixtures to characterize the properties of modifier‐stabilized SiO 2 and assess its impact in future EBC systems. Cristobalite ; Thermal barrier coating ; Coating ; Thermal expansion ; Thermal stability ; Materials science ; Chemical engineering ; Composite material ; Engineering X-ray Diffraction in Crystallography ; Advanced ceramic materials synthesis ; Concrete and Cement Materials Research
Authors: Lokmane Abdelkaddous Baidar | Malika Medjahdi | Badra Mahida | Belaïd Mechab | Dominique Baillis
Source: Materials (article, 2024-08-21)
Field: Materials Science — Surfaces, Coatings and Films

Polyurethane Foam and Algae-Based Activated Carbon Biocomposites for Oil Spill Remediation This study investigates the incorporation of algae-based activated carbon into polyurethane foam to improve a biocomposite for gasoil sorption. The biocomposites were thoroughly analyzed using various techniques to examine the properties of both the blank foam and the algae activated carbon foam with a carbon content of 4.41 mass% and particle diameter of 500 µm. These techniques included Scanning Electron Microscopy (SEM), thermogravimetric analysis (TGA), and density analysis. The TGA analysis revealed that the biocomposites had an impact on the onset temperature (T<sub>onset</sub>) of the foams. Higher concentrations of the biocomposites resulted in a decrease in T<sub>onset</sub> from approximately 310 °C in the blank foam (PUF0) to 300 °C in the composite (PUF3B). The final residue percentage also decreased from around 20% in PUF0 to 10% in PUF3B. Density analysis showed that the apparent density of the foam increased from 0.016 g/cm<sup>3</sup> in the blank foam to 0.020 g/cm<sup>3</sup> in the biocomposite (PUF3B), while the real density slightly decreased from 0.092 g/cm<sup>3</sup> to 0.076 g/cm<sup>3</sup>, indicating a reduction in overall porosity from 82.5% to 74.4%. All foams that were modified showed an increase in their ability to absorb gasoil in a PUF/gasoil/water system. The optimized biocomposite (PUF1B), with 1.14 mass% of 500 µm algae carbon, displayed the highest sorption capacity, starting at approximately 50 g/g at 1.5 h and increasing to 53 g/g over 72 h. The analysis of adsorption kinetics revealed that by utilizing adsorption isotherms, particularly the Langmuir isotherm, a more accurate fit to the data was achieved. This allowed for the prediction of the maximum gasoil adsorption capacity. This study aims to further develop, analyze, and utilize biocomposites made from algae-based activated carbon and polyurethane. These materials offer a sustainable and environmentally friendly approach to cleaning up oil spills. Biocomposite ; Thermogravimetric analysis ; Sorption ; Materials science ; Polyurethane ; Carbon nanofoam ; Adsorption ; Activated carbon ; Chemical engineering ; Composite material ; Scanning electron microscope ; Carbon fibers ; Porosity ; Nuclear chemistry ; Composite number ; Chemistry ; Organic chemistry Surface Modification and Superhydrophobicity ; Electrospun Nanofibers in Biomedical Applications ; Polymer composites and self-healing
Authors: Ze’ev Porat
Source: International Journal of Molecular Sciences (article, 2024-04-18)
Field: Materials Science — Polymers and Plastics

Electrochemical Characterization of Diffusion in Polymeric vs. Monomeric Solvents Polymer electrolyte was used as a medium for testing the performance of microband electrodes under conditions of linear diffusion. Cyclic voltammetry (CV) and chronoamperometry (CA) experiments were performed in a highly viscous medium, where diffusion rates are much slower than in fluid solutions. The log i vs. log v (CV) or log i vs. log t (CA) relationships with the current equation confirmed the existence of such conditions, yielding slope values that were lower than the expected 0.5. This could indicate an impure linear diffusion profile, i.e., some contribution from radial diffusion (edge effects). However, the desired value of 0.5 was obtained when performing these tests in monomeric solvents of similar viscosities, such as glycerol or propylene glycol. These results led to the conclusion that the current equations, which are based on Fick's laws, may not be applicable for polymer electrolytes, where various obstructions to free diffusion result in a more complicated process than for monomeric solvents. Chronoamperometry ; Diffusion ; Monomer ; Electrolyte ; Analytical Chemistry (journal) ; Cyclic voltammetry ; Chemistry ; Electrochemistry ; Linear sweep voltammetry ; Supporting electrolyte ; Viscosity ; Voltammetry ; Diffusion layer ; Polymer ; Diffusion process ; Electrode ; Thermodynamics ; Materials science ; Chromatography ; Physical chemistry ; Organic chemistry ; Composite material Conducting polymers and applications ; Electrochemical Analysis and Applications ; Fuel Cells and Related Materials
Authors: Kosuke Ino | Miyu Mashiko | Yusuke Kanno | Y. Q. Tang | Shuzo Masui | Takasi Nisisako | Kaoru Hiramoto | Hiroya Abe | Hitoshi Shiku
Source: Analytical Chemistry (article, 2024-11-19)
Field: Chemistry — Electrochemistry

Extended Spherical Diffusion Theory: Electrochemiluminescence Imaging Analysis of Diffusive Molecules from Spherical Biosamples Spherical biosamples such as immunobeads, cells, and cell aggregates have been widely used in bioapplications. The bioactivity of individual spherical biosamples in highly sensitive assays and individual analyses must be evaluated in a high-throughput manner. Electrochemiluminescence (ECL) imaging was recently proposed for the high-throughput analysis of diffusive molecules from spherical biosamples. ECL imaging involves the placing of spherical biosamples on a flat electrode filled with a solution. The biosamples produce (or consume) biological/chemical molecules such as H<sub>2</sub>O<sub>2</sub> and O<sub>2</sub>, which diffuse to form a concentration gradient at the electrode. The ECL signals from the molecules are then measured to obtain the concentration profile, which allows the flux to be estimated, from which their bioactivities can be successfully calculated. However, no studies on theoretical approaches for spherical biosamples on flat surfaces have been conducted using ECL imaging. Therefore, this paper presents a novel spherical diffusion theory for spherical biosamples on a flat surface, which is based on the common spherical diffusion theory and was designated as the extended spherical diffusion theory. First, the concepts behind this theory are discussed. The theory is then validated by comparison with a simulated analysis. The resulting equation successfully expresses the concentration profile for the entire area. The glucose oxidase activity in the hydrogel beads is subsequently visualized using ECL imaging, and the enzymatic product flux is calculated using the proof-of-concept theory. Finally, a time-dependent simulation is conducted to fill the gap between the theoretical and experimental data. This paper presents novel guidelines for this analysis. Chemistry ; Electrochemiluminescence ; Diffusion ; Molecule ; Physical chemistry ; Thermodynamics ; Organic chemistry ; Electrode ; Physics Electrochemical Analysis and Applications ; Advanced biosensing and bioanalysis techniques ; Nanopore and Nanochannel Transport Studies
Authors: Kirstin Alberi | Chase Brooks | Ian A. Leahy | Stephan Lany
Source: Journal of Applied Physics (article, 2024-09-05)
Field: Materials Science — Materials Chemistry

Tutorial: Defects in topological semimetals Three-dimensional topological semimetals are a class of electronic materials in which their bulk and surface states contain linear band touching nodes near the Fermi level. Like semiconductors, their properties will be affected by point and extended defects in their crystal structures, although the extent to which defects and disorders influence topological semimetals may differ in key ways due to their unique electronic structures. In this Tutorial, we provide an overview of the defects in topological semimetals, covering both computational and experimental methods for exploring defect-property relationships. We also include a discussion on open questions that still need to be explored further. Semimetal ; Topology (electrical circuits) ; Fermi level ; Surface states ; Point (geometry) ; Electronic structure ; Semiconductor ; Physics ; Surface (topology) ; Condensed matter physics ; Band gap ; Quantum mechanics ; Mathematics ; Geometry Graphene research and applications ; Topological Materials and Phenomena ; Electronic and Structural Properties of Oxides