jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Saber Babaee Zadvarzi | Aliakbar Amooey
Source: Research Square (preprint, 2022-12-28)
Field: Chemistry — Inorganic Chemistry

Simultaneous adsorption of Amoxicillin and Cefixime by facile synthesized Chitosan@Polyacrylamide@ZIF-8; Isotherm and Kinetic study Abstract In recent years, drug use around the world due to population growth and the spread of disease is increasing these include antibiotics which account for about 10 to 15% of drug use. The studies show that antibiotics have a permanent and destructive effect on the environment which not completely removed in refineries. In this study, the Chitosan@Polyacrylamide@ZIF-8 as an adsorbent was simultaneously used to removal of Cefixime and Amoxicillin from the aqueous solution by adsorption method. XRD and FTIR patterns were analyzed for investigation of the surface crystallinity and the chemical properties of the adsorbent. In the following, SEM and TEM images were used for surface morphology study. Finally, a numerical investigation have been done for predicting the adsorption effective parameters. The results show that pH 4, contact time 30 minutes, initial concentration 50 mg/L, temperature 25° C and 15 mg of adsorbent are optimal condition which removal percentage achieved up to %90. The Langmuir, Friendlich, Tamkin, and Dubinin-Radushkovich isotherms were examined by experimental data and Langmuir model presented the best consistency with the experimental results and the maximum calculated adsorption capacity for Amoxicillin and Cefixime are 910 mg/g and 588 mg/g, respectively. Pseudo-first order, Pseudo-second order and intra-particle diffusion were investigated for kinetic studies. The results of the calculations illustrated the Pseudo second order model has been dominant. Overall, this study expresses, Chitosan@Polyacrylamide coated by ZIF-8 can be used an appropriate, effective and economical adsorbent for the adsorption of Amoxicillin and Cefixime. Adsorption ; Langmuir ; Cefixime ; Langmuir adsorption model ; Amoxicillin ; Aqueous solution ; Materials science ; Polyacrylamide ; Particle size ; Chemical engineering ; Chemistry ; Chromatography ; Nuclear chemistry ; Organic chemistry ; Antibiotics ; Polymer chemistry ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; SARS-CoV-2 detection and testing ; Adsorption and biosorption for pollutant removal
Authors: Arezoo Ebrahimi | Maryam Khajavi | Shervin Ahmadi | Elahe Foroogi | Narges Omidi | Mehdi Farhoodi | M Bertolo | V Martins | M Horn | L Brenelli | A Plepis | M Bizarria | A Giraldi | C De Carvalho | J Velasco | M vila | L Mei | M Boskovic | M Glisic | J Djordjevic | M Baltic | J Cerisuelo | R Gavara | P Hernndez-Muoz | G Choudalakis | A Gotsis | F Chouit | O Guellati | S Boukhezar | A Harat | M Guerioune | N Badi | D Coetzee | M Venkataraman | J Militky | M Petru | S Dadashi | S Mousavi | Z Emam-Djomeh | A Oromiehie | M Farhoodi | R Sotudeh-Gharebagh | F Hemmati | M Mohammadifar | M Mousavi | S Ferdous | M Sarker | A Adnan | R Francis | N Joy | E Aparna | R Vijayan | A Ghanbari | M.-C Heuzey | P Carreau | M.-T Ton-That | A Greco | C Corcione | A Strafella | A Maffezzoli | C Esposito Corcione | R Gennaro | M Rizzo | G Guan | C Li | X Yuan | Y Xiao | X Liu | D Zhang | Y Jiang | J.-J Zhou | L Li | J Xu | B.-H Guo | Z.-M Zhang | Z.-L Cheung | J Lima | A Costa | J Sousa | S Arruda | Y Almeida | Y Lin | E Bilotti | C Bastiaansen | T Peijs | D Luo | L Wu | J Zhi | S Madakba | Z Trk
Source: Carpathian Journal of Food Science and Technology (article, 2022-03-31)
Field: Materials Science — Biomaterials

COMPARATIVE EFFECT OF DIFFERENT NANOPARTICLES ONSTRUCTURAL, THERMAL AND BARRIER PROPERTIES OFPOLY(ETHYLENE TEREPHTHALATE) IN FOOD PACKAGING SECTOR In the present study, the effect of nanoclay and nanomica on the structural, thermal and barrier properties of poly (ethylene terephthalate) was investigated. The morphology of the papered nanocomposites (Clay and Mica) was illustrated by X-Ray Diffraction (XRD), Transmission electron microscopy (TEM) and Atomic force microscopy (AFM). According to Dynamic Mechanical Thermal Analyzer (DMTA) results, the samples' tan values ranged from 0.4 to 0.6. The results of Differential scanning calorimetry (DSC) revealed that the incorporation of nanoparticles increased both the crystallization temperature (Tc) and the degree of crystallization (Xc). Then, the higher aspect ratio of nanomica compared to nanoclay led to higher levels of Xc. A significant water vapor permeability decrease (maximum reduction at 1% loading level of nanomica) of nanocomposites was attributed to an increase in the tortuosity of water vapor molecules path diffusing into the nanocomposites. PET/mica nanocomposites presented larger tortuosity factors compared to PET/clay. As a result, improved barrier properties of nanocomposites were obtained in the case of food packaging. Ethylene ; Food packaging ; Poly ethylene ; Materials science ; Nanoparticle ; Thermal ; Composite material ; Chemical engineering ; Polymer science ; Nanotechnology ; Chemistry ; Food science ; Organic chemistry ; Engineering Nanocomposite Films for Food Packaging ; Consumer Packaging Perceptions and Trends
Authors: M. Rashid
Source: theses.fr (ABES) (article, 2022-03-02)
Field: Materials Science — Polymers and Plastics

Étude expérimentale à petite et à moyenne échelles du comportement au feu de biomatériaux composites verts Les impacts environnementaux négatifs causés par l'utilisation massive de produits dérivés du pétrole ont stimulé la recherche vers la fabrication de matériaux à base de ressources biologiques. Par conséquent, les matériaux traditionnels ont été remplacés par des biocomposites verts (GBC) en raison de leurs mérites environnementaux. Malgré de multiples avantages, l'utilisation commerciale des GBC est toujours impopulaire dans les applications d'ingénierie en raison de la faible stabilité thermique et de la faible résistance au feu. C'est pourquoi, afin de valider les performances au feu de ces matériaux biosourcés, il est nécessaire de certifier leurs performances selon les normes acceptées par les industries lorsqu'elles sont soumises au feu. Pour atteindre cet objectif, le GBC nouvellement développé et ses configurations dérivées, c'est-à-dire le GBC touffeté et le GBC à revêtement ignifuge, sont testés à petite et moyenne échelle pour affiner le choix du matériau à tester à grande échelle, ce qui aiderait à optimiser l'utilisation des ressources. Dans cette démarche de recherche, l'ATG (TGA) a été utilisée pour étudier le comportement de décomposition thermique du GBC et le phénomène de protection thermique des échantillons de GBC avec un revêtement ignifuge à petite échelle (milligramme). Le modèle étendu de Prout−Tompkins (Bna), principalement utilisé dans la cinétique de réaction à l'état solide, a ajusté les données de décomposition thermique sous atmosphère inerte et oxydante avec un coefficient de corrélation élevé de 0,99972, ainsi un triplet cinétique a été obtenu. Les produits de pyrolyse émis sont identifiés à l'aide de Py-GC-MS pour déterminer les limites inférieures d'inflammabilité du GBC. Les mesures de HRR, MLR, SPR, CO et CO2 réalisées à l'aide d'un cône calorimètre ont fourni des informations essentielles sur l'effet du touffetage et du revêtement ignifuge sur les performances du matériau lorsqu'il est soumis à un flux de chaleur élevé. Les observations visuelles des échantillons à petite échelle sous SEM et les analyses d'images des échantillons soumis au cône calorimètre ont aidé à choisir la meilleure formulation ignifuge pour protéger le matériau sous-jacent. L'analyse XPS a été utilisée pour identifier la présence de carbone, d'oxygène, de phosphore, de bore et d'azote dans les échantillons avec un revêtement ignifuge. Building industry ; Gas turbines ; Peat Flame retardant materials and properties ; Natural Fiber Reinforced Composites ; Thermochemical Biomass Conversion Processes
Authors: Jing Gao | Dong Chen | Yunting Zhao | Tian Ma | Yongjun He
Source: Water Science & Technology (article, 2022-12-27)
Field: Materials Science — Materials Chemistry

Preparation of two-component Pickering emulsion hydrogels for the removal of zinc ions from aqueous solutions Traditional liquid-solid extraction methods for the removal of zinc ions (Zn(II)) were generally limited by the leakage of extractant and low extraction capacity. The two-component Pickering emulsion hydrogels (PEHGs) in which the synergistic 2-ethylhexyl hydrogen-2-ethylhexylphosphate/tributyl phosphate (EHEHPA/TBP) was encapsulated in a semi-penetrating polymer network (SIPN) structured hydrogels polyacrylamide/sodium alginate (PAM/SA) were prepared by the Pickering emulsions polymerization route. The PEHGs were characterized by FTIR, SEM, TGA, and tensile mechanical measurements, and their self-healing properties were explored. The adsorption performance of PEHGs on Zn(II) was investigated. The results showed that the encapsulation of the extractant reached 95% due to the hydrogels network and nano-silica (nano-SiO<sub>2</sub>) particle network in PEHGs-15. The critical crashing pressure of PEHGs-15 was 0.084 MPa, and the adsorption after 3 h of healing was only 86% of the original amount. The maximum adsorption capacity of PEHGs-15 on Zn(II) was 76.51 mg/g at pH 5. The functional groups of SA and EHEHPA/TBP enhanced the adsorption capacity of PEHGs-15 by chelating with Zn(II). After five adsorption-desorption cycles, the adsorption capacity of PEHGs-15 exceeded 85% of the initial one. The excellent mechanical properties, self-healing, and regenerative properties of PEHGs-15 offer the potential to remove Zn(II) from the solution. Self-healing hydrogels ; Adsorption ; Pickering emulsion ; Aqueous solution ; Chemistry ; Chemical engineering ; Zinc ; Fourier transform infrared spectroscopy ; Nuclear chemistry ; Desorption ; Polymerization ; Polymer ; Emulsion ; Materials science ; Polymer chemistry ; Organic chemistry Pickering emulsions and particle stabilization ; Hydrogels: synthesis, properties, applications ; Extraction and Separation Processes
Authors: Rowaida M. Fahmy | Sayed A. Shama | Abdel-Azem M. El-Sharkawy | Ayman A. Ali
Source: Benha Journal of Applied Sciences (article, 2022-06-01)
Field: Materials Science — Materials Chemistry

Auto-combustion synthesis and characterization of zirconium oxide nanoparticles for removal of crystal violet dye from aqueous solution In the present work, zirconium oxide nanoparticles were synthesized via auto-combustion method using urea. Fourier transform infrared spectroscopy (FTIR), X-Ray diffractometry (XRD), High resolution transmission electron microscopy (HR-TEM) as well as Field emission scanning electron microscopy (FE-SEM) were used to elucidate the structure and morphology of the synthesized zirconium oxide nanoparticles. The synthesized ZrO2 nano-adsorbents were used for crystal violet removal from aqueous solution. Various parameters were checked in a batch method for the adsorption process of crystal violet dye on zirconium oxide adsorbents such as pH solution, duration time, ZrO2 dose (adsorbents), initial dye concentration as well as temperature. The adsorption kinetics, isotherm models and thermodynamic parameters were discussed. Characterization (materials science) ; Aqueous solution ; Zirconium ; Crystal violet ; Nanoparticle ; Zirconium oxide ; Combustion ; Materials science ; Chemical engineering ; Oxide ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Organic chemistry ; Metallurgy Thermal and Kinetic Analysis ; Pigment Synthesis and Properties
Authors: Kiran Vaddi | Karen Li | Lilo D. Pozzo
Source: ChemRxiv (preprint, 2022-12-05)
Field: Materials Science — Materials Chemistry

Metric geometry tools for automatic structure phase mapgeneration Extracting a phase map that provides a hierarchical summary of high-throughput experiments is a long-standing bottleneck for the modern goal of achieving automation and acceleration in material discovery. A phase map that underpins the inherent properties of materials is typically denoted using a composition-structure map but can be extended to other relevant parameters such as synthesis. This paper describes a computational statistical tool to efficiently obtain a phase map from multi-scale experimental measurement profiles on-the-fly during high-throughput measurements. We motivate the construction of a phase map as the problem of learning the underlying metric geometry defined by a set of templates in infinite-dimensional function spaces. We provide a statistical analysis tool to obtain a phase map as an asymptotic of the diffusion of resulting distance functions on the composition. Using examples from small-angle X-ray scattering experiments of polymer blend systems, we show that learned metric geometry can efficiently differentiate ordered phase regions with shifted, missing, and broad Bragg peaks along with features related to non-Bragg behavior in scattering data characteristic of soft-matter systems. The metric geometry allows us to define a shape distance between scattering profiles invariant to phase-independent transformations thus valuable for obtaining a phase map. We also apply the methodology to benchmark experimental diffraction data to showcase the qualitative improvement over existing methods and broad applicability. Metric (unit) ; Geometry ; Computer science ; Algorithm ; Mathematics ; Engineering Machine Learning in Materials Science ; Block Copolymer Self-Assembly ; X-ray Diffraction in Crystallography
Authors: Rimmy Singh | Rachna Bhateria
Source: Research Square (preprint, 2022-02-21)
Field: Chemistry — Organic Chemistry

Evaluation of Batch and Equilibrium Cr6+ adsorption on Fe3O4 nanoparticles via isothermal and kinetic studies Abstract Since many centuries, we have progressively tracked our capacities in the field of water contamination. An intense increase in heavy metals have led to the problems needing priority concerns. In this study, we have fabricated nanoparticles as an alternative source to decontaminate heavy metals from water. Hence, the efficacy of Fe 3 O 4 nanoparticles was observed by adsorbing Cr 6+ ions from aqueous systems. HRTEM analysis determined the average size of 42.90 nm and spherical morphology of the nanoparticles. Various parameters at their optimum conditions such as pH 2, contact time 50 minutes, temperature 20°C, initial metal concentration of 10 mgL -1 and nanoparticle dose of 60 mg were found to achieve maximum adsorption. Isotherms like Langmuir, Freundlich, Temkin and D-R were applied to the experimental equilibrium data, and it corresponds to the Temkin model with a correlation coefficient (R 2 ) of 0.99. Moreover, pseudo second order reaction describes the adsorption which was a three-step process. The negative value of ΔG well describes the physisorption nature, feasibility, and spontaneity of the adsorption process. Physisorption ; Adsorption ; Isothermal process ; Freundlich equation ; Aqueous solution ; Nanoparticle ; Langmuir ; Metal ; Materials science ; Metal ions in aqueous solution ; Chemistry ; Chemical engineering ; Thermodynamics ; Nanotechnology ; Physical chemistry ; Metallurgy ; Physics Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Ming Ma | Hao Deng | Zhenyu Ren | Xin Zhong
Source: Research Square (preprint, 2022-05-11)
Field: Chemistry — Inorganic Chemistry

High-speed and efficient removal of Uranium (VI) from aqueous solution by hydroxyapatite modified ordered mesoporous carbon (CMK-3) Abstract In recent years, the synthesis and application of green, cost-effective and sustainable materials for uranium (VI) removal was significant to environmental protection. The ordered mesoporous carbon (CMK-3) supported different mass of hydroxyapatite materials (HAP@CMK-3) were facilely synthesized via hydrothermal method. The resultant materials were characterized by XRD, FT-IR, BET, SEM, TEM-mapping and XPS, and implemented for immobilizing U(VI). Not only the specific surface area of HAP (7.01 m 2 /g) was increased by the loading on CMK-3 (818.37 m 2 /g), but also the adsorption capacity of CMK-3 was increased by HAP modification. Impressively, HAP@CMK-3 exhibited highly adsorption capacity of U(VI) with the increase of HAP deposition and was capable of achieving fast reaction. Therein to, the specific surface area of HAP@CMK-3(2:1) was 253.68 m 2 /g, as well as the adsorption capacity was up to 1072 mg/g (fitted by Langmuir isotherm, at pH = 3.0, 298 K) and the adsorption process was completed in 30 min (followed by pseudo-second-order kinetic). The adsorption mechanisms of U(VI) on HAP@CMK-3 involved electrostatic forces, ionic interactions and chemical complexation. This work offered new avenues to address the limitations of cost and less secondary pollution for the removal of U(IV) from wastewater. Adsorption ; Aqueous solution ; Mesoporous material ; Langmuir adsorption model ; Chemical engineering ; Uranium ; X-ray photoelectron spectroscopy ; Specific surface area ; Materials science ; Carbon fibers ; BET theory ; Hydrothermal circulation ; Nuclear chemistry ; Chemistry ; Catalysis ; Organic chemistry ; Metallurgy ; Composite material Radioactive element chemistry and processing ; Geochemistry and Elemental Analysis ; Radioactivity and Radon Measurements
Authors: IACOB-TUDOSE EUGENIA TEODORA
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2022-09-30)
Field: Chemistry — Organic Chemistry

Modeling of Noncatalytic Gas-Solid Reactions the Reaction Zone Thickness A number of physical and mathematical models have been proposed for noncatalytic solid-gas reactions. In such a system, the reaction takes place in a part of the solid that can vary in large limits. Within this study, calculations with respect to the gaseous reactant, for simple isothermal first order reactions, have been carried out. The size of the specific reaction area is established and correlated with a mathematical model characterizing the chemical transformation that takes place. Depending on the specific thickness of the reaction zone, some well-known noncatalytic gas-solid reaction models such as: the shrinking core model (heterogeneous), the limited reaction zone model (general) and the total reaction zone model (homogeneous), have been re-established. Materials science ; Chemistry ; Chemical engineering ; Engineering Chemical Thermodynamics and Molecular Structure ; Adsorption, diffusion, and thermodynamic properties of materials ; Catalysis and Oxidation Reactions
Authors: Jon Maiz | Ester Verde‐Sesto | Isabel Asenjo‐Sanz | Fanni Jurànyi | José A. Pomposo | Arantxa Arbe | Juan Colmenero
Source: EPJ Web of Conferences (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Impact of composition on the crystal texture and on the dynamics of P(THF-<i>co</i>-ECH) copolymers We present a combined study by quasielastic neutron scattering (QENS), differential scanning calorimetry (DSC) and wide angle X-ray scattering (WAXS) on poly(tetrahydrofuran-co-epichlorohydrin) copolymers, to see how their composition can be used to tune their crystallizability and to elucidate the impact of this factor on the dynamical properties. QENS reveals a strong effect on the local dynamics upon cooling down, where the local motions of a sample that remains in the supercooled state at lower temperatures are less Gaussian and slower than those in a sample that crystallizes a few degrees below. This can be attributed to the enhancement of local heterogeneities in the former, which could be a determining factor preventing crystallization. Differential scanning calorimetry ; Supercooling ; Crystallization ; Neutron scattering ; Scattering ; Copolymer ; Texture (cosmology) ; Materials science ; Glauber ; Structure factor ; Tetrahydrofuran ; Crystallography ; Physics ; Chemical physics ; Chemistry ; Thermodynamics ; Optics ; Polymer ; Composite material ; Organic chemistry Material Dynamics and Properties ; Polymer crystallization and properties ; Polymer Nanocomposites and Properties
Authors: Dayi Qian | Yuebo Zheng | Peiliang Shi | Wei Su | Zhensong Tong | Baorui Liang | Yan Wang
Source: American Journal of Analytical Chemistry (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

The Performance Study on Adsorption of SO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; of CuO Modifying 13X Zeolite Molecular Sieve Research and development of efficient, economical and resource-based flue gas desulfurization technology has always been a hot spot in the field of air pollution control. Molecular sieve materials have been paid attention to by SO2 adsorbent researchers due to their huge specific surface area. In this paper, 13X zeolite was modified with Cu(NO3) 2·3H2O to obtain 13x-Xwt %CuO (calculated by the amount of CuO loaded). The adsorption time and capacity of SO2 penetration sorbent and the isothermal curve of N2 adsorption-desorption were studied. The results are as follows: 13X-3wt%CuO has the best adsorption effect, the penetration adsorption time is 110 min, the penetration adsorption capacity is 43.41 mg·g-1, the saturation adsorption capacity is 49.27 mg·g-1; The amount of CuO loading has a great influence on the adsorption effect of modified 13X molecular sieve on SO2. SEM and BET characterization showed that CuO modification did not change the external morphology of 13X molecular sieve, changed the pore size, but did not block the original channel of the molecular sieve, before and after modification belong to the type I adsorption isothermal curve. The pore size distribution and type of molecular sieve, as well as the content and type of alkali metal cations jointly control the adsorption process of SO2 by 13X-xwt %CuO. XPS characterization showed that Cu(NO3) 2 decomposed into CuO and Cu2O during roasting at 450°C, CuO/Cu2O ≈ 1.5. The R2 values of the quasi-second-order kinetic models obtained from the 13X-Xwt %CuO particle diffusion kinetic models were all above 0.99, indicating that the quasi-second-order kinetic equations were more relevant. Particle diffusion dynamics model in fitting results show that the adsorption process can be divided into two stages, the first phase of surface adsorption and diffusion rate in the granules common control process, more accurate dynamics model of the secondary in the second phase particle diffusion rate control stage, mainly for the micropore adsorption or chemical adsorption, quasi level 2 dynamic model conformity of variation; C is a constant not equal to 0, indicating that the adsorption of SO2 is not completely through the form of intra-particle diffusion, and a small amount of chemisorption exists. And it is the compound effect of multiple adsorption mechanisms. Molecular sieve ; Zeolite ; Adsorption ; Catalysis ; Sorption isotherm Catalytic Processes in Materials Science ; Industrial Gas Emission Control ; Copper-based nanomaterials and applications